USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 513 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 Set 1.1: A 7 MET CE :methyl 171:sc= -1.32 (180deg=-1.88) USER MOD Set 1.2: A 57 MET CE :methyl 155:sc= -0.369 (180deg=-1.81!) USER MOD Set 2.1: A 8 LYS NZ :NH3+ 123:sc= 1.19 (180deg=0.0372) USER MOD Set 2.2: A 41 GLN : amide:sc= -0.425 X(o=0.77,f=1.1) USER MOD Set 3.1: A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 44 THR OG1 : rot -170:sc= 0 USER MOD Set 4.1: A 18 THR OG1 : rot -31:sc= 0.274 USER MOD Set 4.2: A 19 SER OG : rot 180:sc= 0.0635 USER MOD Single : A 6 LYS NZ :NH3+ -119:sc= 0.787 (180deg=-1.26!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0268 K(o=-0.027,f=-0.56) USER MOD Single : A 32 GLN : amide:sc= -0.03 K(o=-0.03,f=-1.4) USER MOD Single : A 37 SER OG : rot 160:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 38:sc= 1.1 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 HIS : no HE2:sc= 1.03 K(o=1,f=-3.2!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 179:sc= 2.18 (180deg=2.15) USER MOD Single : A 59 LYS NZ :NH3+ -149:sc= 0.8 (180deg=-1.73!) USER MOD Single : A 60 GLN : amide:sc= -0.225 K(o=-0.22,f=-0.88) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 25 N VAL A 3 -4.850 7.564 8.036 1.00 0.00 N ATOM 26 CA VAL A 3 -3.414 7.709 8.247 1.00 0.00 C ATOM 27 C VAL A 3 -2.714 7.384 6.936 1.00 0.00 C ATOM 28 O VAL A 3 -2.948 6.316 6.370 1.00 0.00 O ATOM 29 CB VAL A 3 -2.917 6.768 9.352 1.00 0.00 C ATOM 30 CG1 VAL A 3 -1.431 7.005 9.623 1.00 0.00 C ATOM 31 CG2 VAL A 3 -3.696 6.978 10.652 1.00 0.00 C ATOM 0 HA VAL A 3 -3.193 8.729 8.562 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.074 5.746 9.006 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.092 6.330 10.409 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.861 6.817 8.713 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.279 8.037 9.940 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.320 6.297 11.415 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.570 8.007 10.990 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.754 6.781 10.478 1.00 0.00 H new ATOM 41 N VAL A 4 -1.847 8.287 6.475 1.00 0.00 N ATOM 42 CA VAL A 4 -1.067 8.096 5.263 1.00 0.00 C ATOM 43 C VAL A 4 0.089 7.132 5.563 1.00 0.00 C ATOM 44 O VAL A 4 0.682 7.194 6.640 1.00 0.00 O ATOM 45 CB VAL A 4 -0.629 9.466 4.697 1.00 0.00 C ATOM 46 CG1 VAL A 4 0.866 9.719 4.886 1.00 0.00 C ATOM 47 CG2 VAL A 4 -0.970 9.574 3.207 1.00 0.00 C ATOM 0 H VAL A 4 -1.669 9.177 6.940 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.661 7.633 4.475 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.178 10.222 5.258 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.125 10.694 4.472 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.107 9.700 5.949 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.434 8.944 4.372 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.653 10.546 2.831 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.454 8.786 2.658 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.046 9.466 3.071 1.00 0.00 H new ATOM 57 N LEU A 5 0.418 6.247 4.619 1.00 0.00 N ATOM 58 CA LEU A 5 1.484 5.267 4.765 1.00 0.00 C ATOM 59 C LEU A 5 2.198 5.102 3.436 1.00 0.00 C ATOM 60 O LEU A 5 1.531 4.934 2.418 1.00 0.00 O ATOM 61 CB LEU A 5 0.868 3.946 5.224 1.00 0.00 C ATOM 62 CG LEU A 5 1.751 2.684 5.152 1.00 0.00 C ATOM 63 CD1 LEU A 5 1.741 2.039 3.759 1.00 0.00 C ATOM 64 CD2 LEU A 5 3.183 2.844 5.682 1.00 0.00 C ATOM 0 H LEU A 5 -0.060 6.195 3.719 1.00 0.00 H new ATOM 0 HA LEU A 5 2.213 5.596 5.506 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.541 4.069 6.256 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.025 3.766 4.626 1.00 0.00 H new ATOM 0 HG LEU A 5 1.271 2.001 5.853 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.378 1.155 3.763 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.722 1.751 3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.115 2.753 3.025 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.715 1.898 5.584 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.700 3.612 5.107 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.152 3.136 6.732 1.00 0.00 H new ATOM 76 N LYS A 6 3.535 5.146 3.460 1.00 0.00 N ATOM 77 CA LYS A 6 4.399 4.987 2.296 1.00 0.00 C ATOM 78 C LYS A 6 5.041 3.598 2.263 1.00 0.00 C ATOM 79 O LYS A 6 5.645 3.162 3.246 1.00 0.00 O ATOM 80 CB LYS A 6 5.467 6.098 2.253 1.00 0.00 C ATOM 81 CG LYS A 6 5.032 7.274 1.359 1.00 0.00 C ATOM 82 CD LYS A 6 6.075 7.629 0.290 1.00 0.00 C ATOM 83 CE LYS A 6 7.166 8.590 0.788 1.00 0.00 C ATOM 84 NZ LYS A 6 8.048 9.034 -0.314 1.00 0.00 N ATOM 0 H LYS A 6 4.058 5.299 4.322 1.00 0.00 H new ATOM 0 HA LYS A 6 3.780 5.080 1.404 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.656 6.460 3.264 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.405 5.686 1.881 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.090 7.024 0.871 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.846 8.148 1.983 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.545 6.712 -0.065 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.569 8.079 -0.564 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.701 9.458 1.254 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.763 8.097 1.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.025 8.735 -0.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.728 8.609 -1.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.012 10.070 -0.391 1.00 0.00 H new ATOM 98 N MET A 7 4.934 2.930 1.111 1.00 0.00 N ATOM 99 CA MET A 7 5.532 1.629 0.860 1.00 0.00 C ATOM 100 C MET A 7 6.376 1.660 -0.413 1.00 0.00 C ATOM 101 O MET A 7 6.169 2.499 -1.292 1.00 0.00 O ATOM 102 CB MET A 7 4.439 0.558 0.756 1.00 0.00 C ATOM 103 CG MET A 7 3.460 0.815 -0.389 1.00 0.00 C ATOM 104 SD MET A 7 2.489 -0.620 -0.910 1.00 0.00 S ATOM 105 CE MET A 7 2.007 -1.277 0.695 1.00 0.00 C ATOM 0 H MET A 7 4.415 3.294 0.312 1.00 0.00 H new ATOM 0 HA MET A 7 6.187 1.380 1.695 1.00 0.00 H new ATOM 0 HB2 MET A 7 4.905 -0.417 0.616 1.00 0.00 H new ATOM 0 HB3 MET A 7 3.888 0.516 1.696 1.00 0.00 H new ATOM 0 HG2 MET A 7 2.775 1.608 -0.089 1.00 0.00 H new ATOM 0 HG3 MET A 7 4.020 1.186 -1.248 1.00 0.00 H new ATOM 0 HE1 MET A 7 1.272 -2.070 0.558 1.00 0.00 H new ATOM 0 HE2 MET A 7 2.884 -1.679 1.202 1.00 0.00 H new ATOM 0 HE3 MET A 7 1.572 -0.480 1.299 1.00 0.00 H new ATOM 115 N LYS A 8 7.285 0.692 -0.512 1.00 0.00 N ATOM 116 CA LYS A 8 7.983 0.300 -1.718 1.00 0.00 C ATOM 117 C LYS A 8 7.274 -0.929 -2.286 1.00 0.00 C ATOM 118 O LYS A 8 7.123 -1.927 -1.582 1.00 0.00 O ATOM 119 CB LYS A 8 9.445 -0.036 -1.372 1.00 0.00 C ATOM 120 CG LYS A 8 10.389 1.175 -1.440 1.00 0.00 C ATOM 121 CD LYS A 8 10.428 1.715 -2.875 1.00 0.00 C ATOM 122 CE LYS A 8 11.727 2.438 -3.254 1.00 0.00 C ATOM 123 NZ LYS A 8 11.748 2.751 -4.700 1.00 0.00 N ATOM 0 H LYS A 8 7.564 0.135 0.295 1.00 0.00 H new ATOM 0 HA LYS A 8 7.979 1.105 -2.453 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.484 -0.460 -0.369 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.804 -0.804 -2.057 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.049 1.953 -0.757 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.391 0.887 -1.122 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.276 0.885 -3.565 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.593 2.402 -3.013 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.819 3.358 -2.676 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.584 1.814 -2.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.874 3.775 -4.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.534 2.244 -5.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.850 2.455 -5.132 1.00 0.00 H new ATOM 137 N VAL A 9 6.856 -0.847 -3.553 1.00 0.00 N ATOM 138 CA VAL A 9 6.354 -1.971 -4.334 1.00 0.00 C ATOM 139 C VAL A 9 7.384 -2.236 -5.426 1.00 0.00 C ATOM 140 O VAL A 9 7.218 -1.807 -6.567 1.00 0.00 O ATOM 141 CB VAL A 9 4.960 -1.658 -4.910 1.00 0.00 C ATOM 142 CG1 VAL A 9 4.369 -2.910 -5.574 1.00 0.00 C ATOM 143 CG2 VAL A 9 4.010 -1.193 -3.803 1.00 0.00 C ATOM 0 H VAL A 9 6.860 0.030 -4.074 1.00 0.00 H new ATOM 0 HA VAL A 9 6.226 -2.861 -3.717 1.00 0.00 H new ATOM 0 HB VAL A 9 5.072 -0.864 -5.648 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.384 -2.677 -5.978 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.024 -3.237 -6.382 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.279 -3.706 -4.835 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.031 -0.977 -4.231 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.913 -1.978 -3.053 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.409 -0.292 -3.336 1.00 0.00 H new ATOM 153 N GLU A 10 8.486 -2.883 -5.053 1.00 0.00 N ATOM 154 CA GLU A 10 9.535 -3.221 -6.006 1.00 0.00 C ATOM 155 C GLU A 10 9.228 -4.531 -6.746 1.00 0.00 C ATOM 156 O GLU A 10 8.308 -5.262 -6.381 1.00 0.00 O ATOM 157 CB GLU A 10 10.927 -3.065 -5.398 1.00 0.00 C ATOM 158 CG GLU A 10 11.162 -4.036 -4.268 1.00 0.00 C ATOM 159 CD GLU A 10 12.394 -3.629 -3.473 1.00 0.00 C ATOM 160 OE1 GLU A 10 13.501 -3.998 -3.916 1.00 0.00 O ATOM 161 OE2 GLU A 10 12.202 -2.892 -2.481 1.00 0.00 O ATOM 0 H GLU A 10 8.674 -3.183 -4.096 1.00 0.00 H new ATOM 0 HA GLU A 10 9.547 -2.487 -6.812 1.00 0.00 H new ATOM 0 HB2 GLU A 10 11.680 -3.219 -6.171 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.051 -2.046 -5.032 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.290 -4.062 -3.614 1.00 0.00 H new ATOM 0 HG3 GLU A 10 11.293 -5.043 -4.665 1.00 0.00 H new ATOM 168 N GLY A 11 9.949 -4.796 -7.840 1.00 0.00 N ATOM 169 CA GLY A 11 9.823 -6.030 -8.607 1.00 0.00 C ATOM 170 C GLY A 11 8.965 -5.888 -9.868 1.00 0.00 C ATOM 171 O GLY A 11 9.254 -6.537 -10.873 1.00 0.00 O ATOM 0 H GLY A 11 10.642 -4.150 -8.218 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.818 -6.373 -8.892 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.391 -6.801 -7.969 1.00 0.00 H new ATOM 256 N THR A 18 0.325 -0.415 -10.881 1.00 0.00 N ATOM 257 CA THR A 18 -0.325 0.763 -10.318 1.00 0.00 C ATOM 258 C THR A 18 -1.825 0.579 -10.198 1.00 0.00 C ATOM 259 O THR A 18 -2.257 -0.071 -9.258 1.00 0.00 O ATOM 260 CB THR A 18 0.064 2.036 -11.086 1.00 0.00 C ATOM 261 OG1 THR A 18 -0.062 1.818 -12.477 1.00 0.00 O ATOM 262 CG2 THR A 18 1.507 2.431 -10.784 1.00 0.00 C ATOM 0 HA THR A 18 0.042 0.890 -9.300 1.00 0.00 H new ATOM 0 HB THR A 18 -0.604 2.837 -10.769 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.123 0.877 -12.679 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.761 3.335 -11.338 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.617 2.618 -9.716 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.175 1.623 -11.082 1.00 0.00 H new ATOM 270 N SER A 19 -2.612 1.082 -11.146 1.00 0.00 N ATOM 271 CA SER A 19 -4.059 1.043 -11.079 1.00 0.00 C ATOM 272 C SER A 19 -4.617 -0.341 -10.745 1.00 0.00 C ATOM 273 O SER A 19 -5.594 -0.447 -10.006 1.00 0.00 O ATOM 274 CB SER A 19 -4.631 1.579 -12.393 1.00 0.00 C ATOM 275 OG SER A 19 -3.843 2.672 -12.832 1.00 0.00 O ATOM 0 H SER A 19 -2.253 1.531 -11.988 1.00 0.00 H new ATOM 0 HA SER A 19 -4.372 1.679 -10.251 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.637 0.793 -13.148 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.665 1.894 -12.252 1.00 0.00 H new ATOM 0 HG SER A 19 -4.204 3.018 -13.675 1.00 0.00 H new ATOM 281 N THR A 20 -3.989 -1.398 -11.268 1.00 0.00 N ATOM 282 CA THR A 20 -4.376 -2.763 -10.938 1.00 0.00 C ATOM 283 C THR A 20 -4.222 -2.994 -9.427 1.00 0.00 C ATOM 284 O THR A 20 -5.169 -3.423 -8.768 1.00 0.00 O ATOM 285 CB THR A 20 -3.644 -3.762 -11.863 1.00 0.00 C ATOM 286 OG1 THR A 20 -4.583 -4.432 -12.679 1.00 0.00 O ATOM 287 CG2 THR A 20 -2.799 -4.818 -11.156 1.00 0.00 C ATOM 0 H THR A 20 -3.210 -1.329 -11.922 1.00 0.00 H new ATOM 0 HA THR A 20 -5.433 -2.940 -11.138 1.00 0.00 H new ATOM 0 HB THR A 20 -2.952 -3.146 -12.437 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.116 -5.063 -13.265 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.331 -5.465 -11.897 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.027 -4.329 -10.562 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.435 -5.415 -10.503 1.00 0.00 H new ATOM 295 N ILE A 21 -3.050 -2.668 -8.873 1.00 0.00 N ATOM 296 CA ILE A 21 -2.818 -2.682 -7.437 1.00 0.00 C ATOM 297 C ILE A 21 -3.842 -1.771 -6.753 1.00 0.00 C ATOM 298 O ILE A 21 -4.520 -2.231 -5.843 1.00 0.00 O ATOM 299 CB ILE A 21 -1.349 -2.314 -7.130 1.00 0.00 C ATOM 300 CG1 ILE A 21 -0.421 -3.533 -7.127 1.00 0.00 C ATOM 301 CG2 ILE A 21 -1.135 -1.721 -5.748 1.00 0.00 C ATOM 302 CD1 ILE A 21 -0.379 -4.205 -8.477 1.00 0.00 C ATOM 0 H ILE A 21 -2.235 -2.386 -9.417 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.964 -3.683 -7.031 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.122 -1.600 -7.922 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.585 -3.224 -6.843 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.760 -4.246 -6.376 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.079 -1.490 -5.611 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.722 -0.808 -5.649 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.451 -2.439 -4.991 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.290 -5.065 -8.435 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.381 -4.537 -8.749 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.015 -3.499 -9.224 1.00 0.00 H new ATOM 314 N GLU A 22 -3.973 -0.506 -7.167 1.00 0.00 N ATOM 315 CA GLU A 22 -4.786 0.484 -6.484 1.00 0.00 C ATOM 316 C GLU A 22 -6.219 -0.024 -6.348 1.00 0.00 C ATOM 317 O GLU A 22 -6.738 -0.220 -5.255 1.00 0.00 O ATOM 318 CB GLU A 22 -4.741 1.808 -7.262 1.00 0.00 C ATOM 319 CG GLU A 22 -3.348 2.457 -7.210 1.00 0.00 C ATOM 320 CD GLU A 22 -3.132 3.544 -8.250 1.00 0.00 C ATOM 321 OE1 GLU A 22 -4.107 3.884 -8.952 1.00 0.00 O ATOM 322 OE2 GLU A 22 -1.978 4.022 -8.302 1.00 0.00 O ATOM 0 H GLU A 22 -3.507 -0.144 -7.999 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.392 0.657 -5.483 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.019 1.628 -8.300 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.478 2.497 -6.849 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.193 2.882 -6.218 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.593 1.683 -7.346 1.00 0.00 H new ATOM 329 N GLY A 23 -6.839 -0.263 -7.494 1.00 0.00 N ATOM 330 CA GLY A 23 -8.179 -0.805 -7.626 1.00 0.00 C ATOM 331 C GLY A 23 -8.370 -2.056 -6.770 1.00 0.00 C ATOM 332 O GLY A 23 -9.319 -2.126 -5.991 1.00 0.00 O ATOM 0 H GLY A 23 -6.401 -0.075 -8.396 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.908 -0.049 -7.333 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.373 -1.046 -8.671 1.00 0.00 H new ATOM 336 N LYS A 24 -7.488 -3.054 -6.908 1.00 0.00 N ATOM 337 CA LYS A 24 -7.622 -4.290 -6.146 1.00 0.00 C ATOM 338 C LYS A 24 -7.553 -3.999 -4.644 1.00 0.00 C ATOM 339 O LYS A 24 -8.415 -4.420 -3.876 1.00 0.00 O ATOM 340 CB LYS A 24 -6.545 -5.297 -6.585 1.00 0.00 C ATOM 341 CG LYS A 24 -6.894 -6.745 -6.204 1.00 0.00 C ATOM 342 CD LYS A 24 -7.442 -7.546 -7.397 1.00 0.00 C ATOM 343 CE LYS A 24 -8.744 -6.959 -7.965 1.00 0.00 C ATOM 344 NZ LYS A 24 -9.257 -7.742 -9.110 1.00 0.00 N ATOM 0 H LYS A 24 -6.684 -3.026 -7.535 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.596 -4.736 -6.347 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.412 -5.232 -7.665 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.593 -5.026 -6.129 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.005 -7.240 -5.814 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.633 -6.740 -5.403 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.689 -7.576 -8.185 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.619 -8.576 -7.086 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.500 -6.929 -7.180 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.570 -5.930 -8.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.136 -7.310 -9.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.548 -7.750 -9.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.449 -8.718 -8.805 1.00 0.00 H new ATOM 358 N ILE A 25 -6.530 -3.268 -4.215 1.00 0.00 N ATOM 359 CA ILE A 25 -6.296 -2.946 -2.825 1.00 0.00 C ATOM 360 C ILE A 25 -7.401 -2.033 -2.285 1.00 0.00 C ATOM 361 O ILE A 25 -7.710 -2.077 -1.098 1.00 0.00 O ATOM 362 CB ILE A 25 -4.868 -2.396 -2.706 1.00 0.00 C ATOM 363 CG1 ILE A 25 -3.796 -3.444 -3.040 1.00 0.00 C ATOM 364 CG2 ILE A 25 -4.596 -1.680 -1.388 1.00 0.00 C ATOM 365 CD1 ILE A 25 -3.773 -4.576 -2.027 1.00 0.00 C ATOM 0 H ILE A 25 -5.828 -2.877 -4.844 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.353 -3.827 -2.185 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.795 -1.626 -3.474 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.983 -3.850 -4.034 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.817 -2.965 -3.071 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.568 -1.319 -1.376 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.278 -0.836 -1.285 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.747 -2.372 -0.560 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.001 -5.294 -2.302 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.559 -4.174 -1.037 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.743 -5.073 -2.015 1.00 0.00 H new ATOM 377 N GLY A 26 -8.078 -1.282 -3.151 1.00 0.00 N ATOM 378 CA GLY A 26 -9.268 -0.522 -2.809 1.00 0.00 C ATOM 379 C GLY A 26 -10.423 -1.389 -2.292 1.00 0.00 C ATOM 380 O GLY A 26 -11.367 -0.845 -1.725 1.00 0.00 O ATOM 0 H GLY A 26 -7.805 -1.186 -4.129 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.011 0.217 -2.050 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.603 0.028 -3.689 1.00 0.00 H new ATOM 384 N LYS A 27 -10.384 -2.718 -2.466 1.00 0.00 N ATOM 385 CA LYS A 27 -11.376 -3.602 -1.874 1.00 0.00 C ATOM 386 C LYS A 27 -10.995 -3.951 -0.432 1.00 0.00 C ATOM 387 O LYS A 27 -11.817 -4.521 0.283 1.00 0.00 O ATOM 388 CB LYS A 27 -11.543 -4.857 -2.745 1.00 0.00 C ATOM 389 CG LYS A 27 -12.715 -4.702 -3.723 1.00 0.00 C ATOM 390 CD LYS A 27 -14.015 -5.195 -3.070 1.00 0.00 C ATOM 391 CE LYS A 27 -15.206 -5.053 -4.028 1.00 0.00 C ATOM 392 NZ LYS A 27 -16.432 -5.667 -3.475 1.00 0.00 N ATOM 0 H LYS A 27 -9.670 -3.197 -3.015 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.338 -3.091 -1.836 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.624 -5.042 -3.301 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.710 -5.725 -2.108 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.819 -3.657 -4.016 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.518 -5.269 -4.632 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.904 -6.239 -2.776 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.207 -4.626 -2.160 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -15.387 -3.997 -4.229 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -14.963 -5.522 -4.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -17.214 -5.551 -4.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -16.268 -6.680 -3.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -16.678 -5.203 -2.578 1.00 0.00 H new ATOM 406 N LEU A 28 -9.761 -3.663 -0.001 1.00 0.00 N ATOM 407 CA LEU A 28 -9.272 -4.126 1.271 1.00 0.00 C ATOM 408 C LEU A 28 -9.940 -3.389 2.427 1.00 0.00 C ATOM 409 O LEU A 28 -10.044 -2.163 2.453 1.00 0.00 O ATOM 410 CB LEU A 28 -7.759 -3.948 1.378 1.00 0.00 C ATOM 411 CG LEU A 28 -6.865 -4.787 0.454 1.00 0.00 C ATOM 412 CD1 LEU A 28 -6.066 -5.739 1.326 1.00 0.00 C ATOM 413 CD2 LEU A 28 -7.599 -5.641 -0.577 1.00 0.00 C ATOM 0 H LEU A 28 -9.090 -3.106 -0.531 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.517 -5.186 1.335 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.533 -2.897 1.196 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.470 -4.163 2.407 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.264 -4.071 -0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.419 -6.351 0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.457 -5.167 2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.748 -6.383 1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.874 -6.192 -1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.256 -6.344 -0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.192 -4.997 -1.227 1.00 0.00 H new ATOM 425 N GLN A 29 -10.331 -4.172 3.423 1.00 0.00 N ATOM 426 CA GLN A 29 -10.931 -3.678 4.646 1.00 0.00 C ATOM 427 C GLN A 29 -9.954 -2.747 5.378 1.00 0.00 C ATOM 428 O GLN A 29 -8.902 -3.182 5.837 1.00 0.00 O ATOM 429 CB GLN A 29 -11.428 -4.865 5.481 1.00 0.00 C ATOM 430 CG GLN A 29 -10.264 -5.727 5.980 1.00 0.00 C ATOM 431 CD GLN A 29 -10.651 -7.173 6.264 1.00 0.00 C ATOM 432 OE1 GLN A 29 -11.387 -7.791 5.502 1.00 0.00 O ATOM 433 NE2 GLN A 29 -10.138 -7.738 7.352 1.00 0.00 N ATOM 0 H GLN A 29 -10.236 -5.187 3.399 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.807 -3.065 4.432 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.001 -4.498 6.332 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.103 -5.475 4.882 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.468 -5.713 5.236 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.859 -5.283 6.889 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.529 -7.199 7.967 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.353 -8.711 7.572 1.00 0.00 H new ATOM 442 N GLY A 30 -10.293 -1.458 5.474 1.00 0.00 N ATOM 443 CA GLY A 30 -9.523 -0.476 6.226 1.00 0.00 C ATOM 444 C GLY A 30 -8.890 0.584 5.341 1.00 0.00 C ATOM 445 O GLY A 30 -8.556 1.661 5.834 1.00 0.00 O ATOM 0 H GLY A 30 -11.121 -1.067 5.024 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.174 0.008 6.954 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.741 -0.988 6.787 1.00 0.00 H new ATOM 449 N VAL A 31 -8.706 0.293 4.054 1.00 0.00 N ATOM 450 CA VAL A 31 -8.092 1.216 3.132 1.00 0.00 C ATOM 451 C VAL A 31 -9.148 2.218 2.668 1.00 0.00 C ATOM 452 O VAL A 31 -10.248 1.836 2.275 1.00 0.00 O ATOM 453 CB VAL A 31 -7.490 0.380 1.992 1.00 0.00 C ATOM 454 CG1 VAL A 31 -7.248 1.208 0.733 1.00 0.00 C ATOM 455 CG2 VAL A 31 -6.180 -0.269 2.454 1.00 0.00 C ATOM 0 H VAL A 31 -8.983 -0.593 3.632 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.289 1.801 3.582 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.214 -0.394 1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.822 0.573 -0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.193 1.624 0.384 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.556 2.019 0.959 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.760 -0.860 1.640 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.471 0.507 2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.376 -0.917 3.309 1.00 0.00 H new ATOM 465 N GLN A 32 -8.795 3.501 2.724 1.00 0.00 N ATOM 466 CA GLN A 32 -9.591 4.609 2.229 1.00 0.00 C ATOM 467 C GLN A 32 -9.189 4.910 0.784 1.00 0.00 C ATOM 468 O GLN A 32 -10.049 4.976 -0.091 1.00 0.00 O ATOM 469 CB GLN A 32 -9.436 5.818 3.159 1.00 0.00 C ATOM 470 CG GLN A 32 -10.677 6.064 4.021 1.00 0.00 C ATOM 471 CD GLN A 32 -11.834 6.666 3.226 1.00 0.00 C ATOM 472 OE1 GLN A 32 -11.742 6.868 2.020 1.00 0.00 O ATOM 473 NE2 GLN A 32 -12.946 6.958 3.894 1.00 0.00 N ATOM 0 H GLN A 32 -7.911 3.803 3.133 1.00 0.00 H new ATOM 0 HA GLN A 32 -10.650 4.351 2.225 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.573 5.664 3.807 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -9.232 6.707 2.562 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -10.998 5.122 4.466 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -10.418 6.733 4.842 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.000 6.781 4.897 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -13.745 7.359 3.403 1.00 0.00 H new ATOM 482 N ARG A 33 -7.888 5.082 0.512 1.00 0.00 N ATOM 483 CA ARG A 33 -7.424 5.360 -0.846 1.00 0.00 C ATOM 484 C ARG A 33 -5.999 4.839 -1.011 1.00 0.00 C ATOM 485 O ARG A 33 -5.309 4.615 -0.016 1.00 0.00 O ATOM 486 CB ARG A 33 -7.529 6.870 -1.130 1.00 0.00 C ATOM 487 CG ARG A 33 -7.680 7.194 -2.622 1.00 0.00 C ATOM 488 CD ARG A 33 -7.910 8.699 -2.805 1.00 0.00 C ATOM 489 NE ARG A 33 -8.302 9.013 -4.189 1.00 0.00 N ATOM 490 CZ ARG A 33 -8.769 10.206 -4.596 1.00 0.00 C ATOM 491 NH1 ARG A 33 -8.780 11.240 -3.748 1.00 0.00 N ATOM 492 NH2 ARG A 33 -9.225 10.356 -5.845 1.00 0.00 N ATOM 0 H ARG A 33 -7.147 5.033 1.211 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.051 4.846 -1.574 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.383 7.277 -0.588 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.640 7.369 -0.744 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.786 6.885 -3.163 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.516 6.635 -3.042 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.686 9.037 -2.119 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.000 9.242 -2.550 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.213 8.275 -4.887 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.435 11.122 -2.796 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.134 12.147 -4.054 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.218 9.565 -6.489 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.579 11.261 -6.153 1.00 0.00 H new ATOM 506 N ILE A 34 -5.569 4.651 -2.261 1.00 0.00 N ATOM 507 CA ILE A 34 -4.243 4.187 -2.628 1.00 0.00 C ATOM 508 C ILE A 34 -3.813 4.909 -3.904 1.00 0.00 C ATOM 509 O ILE A 34 -4.649 5.154 -4.773 1.00 0.00 O ATOM 510 CB ILE A 34 -4.231 2.650 -2.765 1.00 0.00 C ATOM 511 CG1 ILE A 34 -2.848 2.182 -3.254 1.00 0.00 C ATOM 512 CG2 ILE A 34 -5.380 2.108 -3.632 1.00 0.00 C ATOM 513 CD1 ILE A 34 -2.566 0.703 -3.002 1.00 0.00 C ATOM 0 H ILE A 34 -6.163 4.827 -3.071 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.519 4.424 -1.849 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.410 2.226 -1.777 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.766 2.380 -4.323 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.079 2.777 -2.760 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.313 1.021 -3.687 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.335 2.390 -3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.308 2.527 -4.635 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.573 0.453 -3.375 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.613 0.501 -1.932 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.311 0.097 -3.519 1.00 0.00 H new ATOM 525 N LYS A 35 -2.531 5.275 -3.994 1.00 0.00 N ATOM 526 CA LYS A 35 -1.881 5.800 -5.180 1.00 0.00 C ATOM 527 C LYS A 35 -0.490 5.167 -5.248 1.00 0.00 C ATOM 528 O LYS A 35 0.251 5.220 -4.265 1.00 0.00 O ATOM 529 CB LYS A 35 -1.873 7.328 -5.132 1.00 0.00 C ATOM 530 CG LYS A 35 -1.093 7.922 -3.959 1.00 0.00 C ATOM 531 CD LYS A 35 0.403 8.105 -4.286 1.00 0.00 C ATOM 532 CE LYS A 35 0.763 9.590 -4.279 1.00 0.00 C ATOM 533 NZ LYS A 35 2.203 9.806 -4.021 1.00 0.00 N ATOM 0 H LYS A 35 -1.895 5.207 -3.199 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.413 5.545 -6.097 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.449 7.706 -6.062 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.903 7.683 -5.084 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.525 8.886 -3.689 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.196 7.272 -3.090 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.011 7.572 -3.555 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.626 7.673 -5.262 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.495 10.033 -5.238 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.176 10.102 -3.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.407 10.826 -4.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.454 9.406 -3.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.762 9.339 -4.763 1.00 0.00 H new ATOM 547 N VAL A 36 -0.148 4.538 -6.370 1.00 0.00 N ATOM 548 CA VAL A 36 1.119 3.853 -6.592 1.00 0.00 C ATOM 549 C VAL A 36 1.854 4.587 -7.716 1.00 0.00 C ATOM 550 O VAL A 36 1.229 5.248 -8.541 1.00 0.00 O ATOM 551 CB VAL A 36 0.826 2.380 -6.931 1.00 0.00 C ATOM 552 CG1 VAL A 36 2.078 1.535 -7.220 1.00 0.00 C ATOM 553 CG2 VAL A 36 0.055 1.669 -5.814 1.00 0.00 C ATOM 0 H VAL A 36 -0.769 4.491 -7.177 1.00 0.00 H new ATOM 0 HA VAL A 36 1.757 3.861 -5.708 1.00 0.00 H new ATOM 0 HB VAL A 36 0.228 2.448 -7.840 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.781 0.512 -7.449 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.613 1.957 -8.071 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.728 1.537 -6.345 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.128 0.633 -6.100 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.641 1.694 -4.895 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.897 2.174 -5.651 1.00 0.00 H new ATOM 563 N SER A 37 3.185 4.499 -7.745 1.00 0.00 N ATOM 564 CA SER A 37 4.018 5.075 -8.789 1.00 0.00 C ATOM 565 C SER A 37 4.993 4.015 -9.296 1.00 0.00 C ATOM 566 O SER A 37 5.322 3.067 -8.583 1.00 0.00 O ATOM 567 CB SER A 37 4.753 6.301 -8.244 1.00 0.00 C ATOM 568 OG SER A 37 5.564 6.908 -9.234 1.00 0.00 O ATOM 0 H SER A 37 3.720 4.014 -7.025 1.00 0.00 H new ATOM 0 HA SER A 37 3.401 5.401 -9.627 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.028 7.025 -7.873 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.372 6.007 -7.396 1.00 0.00 H new ATOM 0 HG SER A 37 5.759 7.833 -8.975 1.00 0.00 H new ATOM 574 N LEU A 38 5.442 4.207 -10.535 1.00 0.00 N ATOM 575 CA LEU A 38 6.327 3.325 -11.275 1.00 0.00 C ATOM 576 C LEU A 38 7.720 3.936 -11.296 1.00 0.00 C ATOM 577 O LEU A 38 8.658 3.334 -10.788 1.00 0.00 O ATOM 578 CB LEU A 38 5.777 3.171 -12.697 1.00 0.00 C ATOM 579 CG LEU A 38 4.679 2.099 -12.751 1.00 0.00 C ATOM 580 CD1 LEU A 38 3.629 2.503 -13.785 1.00 0.00 C ATOM 581 CD2 LEU A 38 5.294 0.735 -13.069 1.00 0.00 C ATOM 0 H LEU A 38 5.180 5.031 -11.076 1.00 0.00 H new ATOM 0 HA LEU A 38 6.384 2.342 -10.807 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.376 4.125 -13.041 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.586 2.902 -13.376 1.00 0.00 H new ATOM 0 HG LEU A 38 4.188 2.018 -11.781 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.848 1.744 -13.826 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.190 3.460 -13.503 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.099 2.593 -14.764 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.508 -0.019 -13.105 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.799 0.780 -14.034 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.014 0.471 -12.295 1.00 0.00 H new ATOM 593 N ASP A 39 7.847 5.142 -11.852 1.00 0.00 N ATOM 594 CA ASP A 39 9.097 5.878 -11.977 1.00 0.00 C ATOM 595 C ASP A 39 9.756 5.995 -10.619 1.00 0.00 C ATOM 596 O ASP A 39 10.888 5.565 -10.410 1.00 0.00 O ATOM 597 CB ASP A 39 8.828 7.303 -12.481 1.00 0.00 C ATOM 598 CG ASP A 39 7.925 7.328 -13.708 1.00 0.00 C ATOM 599 OD1 ASP A 39 6.774 6.856 -13.551 1.00 0.00 O ATOM 600 OD2 ASP A 39 8.400 7.793 -14.764 1.00 0.00 O ATOM 0 H ASP A 39 7.051 5.648 -12.240 1.00 0.00 H new ATOM 0 HA ASP A 39 9.738 5.343 -12.678 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.368 7.886 -11.683 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.776 7.785 -12.722 1.00 0.00 H new ATOM 605 N ASN A 40 9.012 6.598 -9.688 1.00 0.00 N ATOM 606 CA ASN A 40 9.507 6.799 -8.343 1.00 0.00 C ATOM 607 C ASN A 40 9.576 5.447 -7.620 1.00 0.00 C ATOM 608 O ASN A 40 10.299 5.282 -6.636 1.00 0.00 O ATOM 609 CB ASN A 40 8.638 7.802 -7.565 1.00 0.00 C ATOM 610 CG ASN A 40 9.417 9.066 -7.210 1.00 0.00 C ATOM 611 OD1 ASN A 40 9.873 9.788 -8.089 1.00 0.00 O ATOM 612 ND2 ASN A 40 9.573 9.365 -5.923 1.00 0.00 N ATOM 0 H ASN A 40 8.069 6.951 -9.850 1.00 0.00 H new ATOM 0 HA ASN A 40 10.508 7.226 -8.398 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.766 8.068 -8.162 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.269 7.333 -6.653 1.00 0.00 H new ATOM 0 HD21 ASN A 40 10.080 10.208 -5.653 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.186 8.751 -5.206 1.00 0.00 H new ATOM 619 N GLN A 41 8.785 4.487 -8.113 1.00 0.00 N ATOM 620 CA GLN A 41 8.713 3.123 -7.666 1.00 0.00 C ATOM 621 C GLN A 41 8.406 3.085 -6.175 1.00 0.00 C ATOM 622 O GLN A 41 9.207 2.590 -5.382 1.00 0.00 O ATOM 623 CB GLN A 41 10.004 2.404 -8.061 1.00 0.00 C ATOM 624 CG GLN A 41 9.691 0.922 -8.221 1.00 0.00 C ATOM 625 CD GLN A 41 10.908 0.087 -7.859 1.00 0.00 C ATOM 626 OE1 GLN A 41 11.633 -0.399 -8.717 1.00 0.00 O ATOM 627 NE2 GLN A 41 11.152 -0.060 -6.559 1.00 0.00 N ATOM 0 H GLN A 41 8.143 4.671 -8.884 1.00 0.00 H new ATOM 0 HA GLN A 41 7.896 2.587 -8.150 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.398 2.812 -8.992 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.770 2.551 -7.299 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.851 0.649 -7.583 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.391 0.715 -9.248 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.526 0.359 -5.872 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.965 -0.592 -6.250 1.00 0.00 H new ATOM 636 N GLU A 42 7.268 3.668 -5.806 1.00 0.00 N ATOM 637 CA GLU A 42 6.837 3.886 -4.432 1.00 0.00 C ATOM 638 C GLU A 42 5.310 4.009 -4.452 1.00 0.00 C ATOM 639 O GLU A 42 4.749 4.281 -5.514 1.00 0.00 O ATOM 640 CB GLU A 42 7.521 5.158 -3.890 1.00 0.00 C ATOM 641 CG GLU A 42 7.687 5.132 -2.363 1.00 0.00 C ATOM 642 CD GLU A 42 8.388 6.371 -1.826 1.00 0.00 C ATOM 643 OE1 GLU A 42 8.172 7.473 -2.373 1.00 0.00 O ATOM 644 OE2 GLU A 42 9.022 6.299 -0.751 1.00 0.00 O ATOM 0 H GLU A 42 6.594 4.016 -6.488 1.00 0.00 H new ATOM 0 HA GLU A 42 7.117 3.064 -3.773 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.500 5.267 -4.357 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.934 6.031 -4.173 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.706 5.044 -1.897 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.255 4.246 -2.079 1.00 0.00 H new ATOM 651 N ALA A 43 4.632 3.825 -3.316 1.00 0.00 N ATOM 652 CA ALA A 43 3.190 4.045 -3.218 1.00 0.00 C ATOM 653 C ALA A 43 2.835 4.655 -1.876 1.00 0.00 C ATOM 654 O ALA A 43 3.601 4.525 -0.920 1.00 0.00 O ATOM 655 CB ALA A 43 2.430 2.733 -3.404 1.00 0.00 C ATOM 0 H ALA A 43 5.066 3.521 -2.444 1.00 0.00 H new ATOM 0 HA ALA A 43 2.900 4.736 -4.010 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.359 2.919 -3.327 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.657 2.317 -4.386 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.731 2.025 -2.632 1.00 0.00 H new ATOM 661 N THR A 44 1.664 5.296 -1.812 1.00 0.00 N ATOM 662 CA THR A 44 1.082 5.852 -0.630 1.00 0.00 C ATOM 663 C THR A 44 -0.322 5.266 -0.523 1.00 0.00 C ATOM 664 O THR A 44 -1.066 5.316 -1.506 1.00 0.00 O ATOM 665 CB THR A 44 1.006 7.373 -0.785 1.00 0.00 C ATOM 666 OG1 THR A 44 2.244 7.966 -1.141 1.00 0.00 O ATOM 667 CG2 THR A 44 0.467 7.973 0.499 1.00 0.00 C ATOM 0 H THR A 44 1.082 5.438 -2.637 1.00 0.00 H new ATOM 0 HA THR A 44 1.667 5.623 0.261 1.00 0.00 H new ATOM 0 HB THR A 44 0.331 7.587 -1.614 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.172 8.941 -1.071 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.409 9.057 0.398 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.528 7.574 0.698 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.131 7.721 1.326 1.00 0.00 H new ATOM 675 N ILE A 45 -0.686 4.736 0.645 1.00 0.00 N ATOM 676 CA ILE A 45 -2.048 4.345 0.965 1.00 0.00 C ATOM 677 C ILE A 45 -2.524 5.173 2.150 1.00 0.00 C ATOM 678 O ILE A 45 -1.702 5.782 2.837 1.00 0.00 O ATOM 679 CB ILE A 45 -2.118 2.836 1.244 1.00 0.00 C ATOM 680 CG1 ILE A 45 -1.308 2.091 0.177 1.00 0.00 C ATOM 681 CG2 ILE A 45 -3.568 2.328 1.207 1.00 0.00 C ATOM 682 CD1 ILE A 45 0.079 1.701 0.657 1.00 0.00 C ATOM 0 H ILE A 45 -0.027 4.566 1.405 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.709 4.538 0.120 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.711 2.653 2.238 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.849 1.194 -0.123 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.218 2.720 -0.709 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.583 1.257 1.408 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.155 2.848 1.964 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.995 2.518 0.222 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.606 1.177 -0.140 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.635 2.598 0.931 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.007 1.048 1.526 1.00 0.00 H new ATOM 694 N VAL A 46 -3.839 5.202 2.377 1.00 0.00 N ATOM 695 CA VAL A 46 -4.457 5.887 3.499 1.00 0.00 C ATOM 696 C VAL A 46 -5.394 4.910 4.221 1.00 0.00 C ATOM 697 O VAL A 46 -6.282 4.349 3.582 1.00 0.00 O ATOM 698 CB VAL A 46 -5.028 7.240 3.064 1.00 0.00 C ATOM 699 CG1 VAL A 46 -6.174 7.100 2.104 1.00 0.00 C ATOM 700 CG2 VAL A 46 -5.470 8.103 4.241 1.00 0.00 C ATOM 0 H VAL A 46 -4.513 4.738 1.768 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.733 6.179 4.259 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.202 7.739 2.558 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.541 8.089 1.828 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.837 6.575 1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.977 6.534 2.576 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.866 9.049 3.870 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.244 7.582 4.804 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.617 8.296 4.891 1.00 0.00 H new ATOM 710 N TYR A 47 -5.124 4.600 5.497 1.00 0.00 N ATOM 711 CA TYR A 47 -5.817 3.558 6.265 1.00 0.00 C ATOM 712 C TYR A 47 -5.652 3.777 7.774 1.00 0.00 C ATOM 713 O TYR A 47 -5.067 4.780 8.173 1.00 0.00 O ATOM 714 CB TYR A 47 -5.335 2.164 5.842 1.00 0.00 C ATOM 715 CG TYR A 47 -3.871 1.868 6.093 1.00 0.00 C ATOM 716 CD1 TYR A 47 -3.463 1.273 7.299 1.00 0.00 C ATOM 717 CD2 TYR A 47 -2.949 2.008 5.042 1.00 0.00 C ATOM 718 CE1 TYR A 47 -2.168 0.744 7.417 1.00 0.00 C ATOM 719 CE2 TYR A 47 -1.679 1.422 5.142 1.00 0.00 C ATOM 720 CZ TYR A 47 -1.309 0.739 6.307 1.00 0.00 C ATOM 721 OH TYR A 47 -0.138 0.043 6.324 1.00 0.00 O ATOM 0 H TYR A 47 -4.401 5.078 6.035 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.882 3.625 6.044 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.932 1.419 6.368 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -5.534 2.039 4.778 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.145 1.223 8.135 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.218 2.567 4.158 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.833 0.341 8.361 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.984 1.498 4.318 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.267 -0.803 6.801 1.00 0.00 H new ATOM 731 N GLN A 48 -6.177 2.878 8.622 1.00 0.00 N ATOM 732 CA GLN A 48 -5.836 2.794 10.037 1.00 0.00 C ATOM 733 C GLN A 48 -5.616 1.370 10.570 1.00 0.00 C ATOM 734 O GLN A 48 -6.243 0.432 10.072 1.00 0.00 O ATOM 735 CB GLN A 48 -6.952 3.460 10.846 1.00 0.00 C ATOM 736 CG GLN A 48 -6.576 4.906 11.152 1.00 0.00 C ATOM 737 CD GLN A 48 -7.298 5.463 12.380 1.00 0.00 C ATOM 738 OE1 GLN A 48 -8.501 5.714 12.338 1.00 0.00 O ATOM 739 NE2 GLN A 48 -6.580 5.707 13.470 1.00 0.00 N ATOM 0 H GLN A 48 -6.862 2.180 8.331 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.878 3.302 10.148 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -7.887 3.428 10.287 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.117 2.913 11.774 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.499 4.970 11.310 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.809 5.527 10.287 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -5.583 5.491 13.483 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.025 6.110 14.294 1.00 0.00 H new ATOM 748 N PRO A 49 -4.786 1.221 11.629 1.00 0.00 N ATOM 749 CA PRO A 49 -4.615 -0.020 12.369 1.00 0.00 C ATOM 750 C PRO A 49 -5.896 -0.333 13.147 1.00 0.00 C ATOM 751 O PRO A 49 -5.974 -0.119 14.355 1.00 0.00 O ATOM 752 CB PRO A 49 -3.424 0.207 13.309 1.00 0.00 C ATOM 753 CG PRO A 49 -3.467 1.709 13.574 1.00 0.00 C ATOM 754 CD PRO A 49 -4.000 2.278 12.259 1.00 0.00 C ATOM 0 HA PRO A 49 -4.425 -0.871 11.715 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.524 -0.367 14.230 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.484 -0.093 12.847 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.120 1.952 14.412 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.480 2.104 13.814 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.614 3.160 12.440 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.180 2.588 11.611 1.00 0.00 H new ATOM 762 N HIS A 50 -6.913 -0.820 12.440 1.00 0.00 N ATOM 763 CA HIS A 50 -8.172 -1.268 13.018 1.00 0.00 C ATOM 764 C HIS A 50 -8.716 -2.414 12.174 1.00 0.00 C ATOM 765 O HIS A 50 -8.854 -3.534 12.658 1.00 0.00 O ATOM 766 CB HIS A 50 -9.170 -0.099 13.116 1.00 0.00 C ATOM 767 CG HIS A 50 -9.376 0.390 14.529 1.00 0.00 C ATOM 768 ND1 HIS A 50 -8.386 0.653 15.449 1.00 0.00 N ATOM 769 CD2 HIS A 50 -10.579 0.549 15.163 1.00 0.00 C ATOM 770 CE1 HIS A 50 -8.984 0.972 16.609 1.00 0.00 C ATOM 771 NE2 HIS A 50 -10.320 0.927 16.484 1.00 0.00 N ATOM 0 H HIS A 50 -6.881 -0.915 11.425 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.011 -1.628 14.034 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -8.813 0.727 12.501 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.129 -0.413 12.704 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -7.381 0.613 15.280 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -11.554 0.408 14.721 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -8.461 1.230 17.518 1.00 0.00 H new ATOM 779 N LEU A 51 -9.017 -2.136 10.904 1.00 0.00 N ATOM 780 CA LEU A 51 -9.524 -3.147 9.990 1.00 0.00 C ATOM 781 C LEU A 51 -8.362 -3.935 9.378 1.00 0.00 C ATOM 782 O LEU A 51 -8.545 -5.098 9.017 1.00 0.00 O ATOM 783 CB LEU A 51 -10.397 -2.475 8.924 1.00 0.00 C ATOM 784 CG LEU A 51 -11.775 -2.052 9.459 1.00 0.00 C ATOM 785 CD1 LEU A 51 -12.394 -0.985 8.549 1.00 0.00 C ATOM 786 CD2 LEU A 51 -12.733 -3.246 9.549 1.00 0.00 C ATOM 0 H LEU A 51 -8.915 -1.210 10.488 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.145 -3.862 10.529 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.878 -1.598 8.537 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.532 -3.160 8.087 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.625 -1.647 10.460 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.369 -0.695 8.940 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.742 -0.112 8.516 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.511 -1.388 7.543 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.697 -2.911 9.931 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.866 -3.681 8.558 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.317 -3.996 10.222 1.00 0.00 H new ATOM 798 N ILE A 52 -7.177 -3.318 9.272 1.00 0.00 N ATOM 799 CA ILE A 52 -5.977 -3.940 8.758 1.00 0.00 C ATOM 800 C ILE A 52 -4.917 -3.970 9.853 1.00 0.00 C ATOM 801 O ILE A 52 -4.829 -3.038 10.649 1.00 0.00 O ATOM 802 CB ILE A 52 -5.548 -3.207 7.484 1.00 0.00 C ATOM 803 CG1 ILE A 52 -4.535 -3.998 6.651 1.00 0.00 C ATOM 804 CG2 ILE A 52 -4.957 -1.844 7.808 1.00 0.00 C ATOM 805 CD1 ILE A 52 -5.075 -5.364 6.236 1.00 0.00 C ATOM 0 H ILE A 52 -7.037 -2.347 9.552 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.147 -4.979 8.476 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.456 -3.090 6.893 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.273 -3.426 5.761 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.618 -4.130 7.226 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.661 -1.347 6.884 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.702 -1.238 8.324 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.084 -1.969 8.448 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.323 -5.889 5.647 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.312 -5.947 7.126 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.977 -5.232 5.638 1.00 0.00 H new ATOM 817 N SER A 53 -4.072 -5.003 9.876 1.00 0.00 N ATOM 818 CA SER A 53 -3.088 -5.213 10.932 1.00 0.00 C ATOM 819 C SER A 53 -1.797 -4.430 10.707 1.00 0.00 C ATOM 820 O SER A 53 -0.724 -4.853 11.126 1.00 0.00 O ATOM 821 CB SER A 53 -2.808 -6.694 11.072 1.00 0.00 C ATOM 822 OG SER A 53 -4.021 -7.404 11.206 1.00 0.00 O ATOM 0 H SER A 53 -4.054 -5.723 9.153 1.00 0.00 H new ATOM 0 HA SER A 53 -3.512 -4.830 11.860 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.261 -7.053 10.200 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.175 -6.872 11.941 1.00 0.00 H new ATOM 0 HG SER A 53 -3.832 -8.361 11.294 1.00 0.00 H new ATOM 828 N VAL A 54 -1.917 -3.306 10.006 1.00 0.00 N ATOM 829 CA VAL A 54 -0.889 -2.355 9.632 1.00 0.00 C ATOM 830 C VAL A 54 0.050 -2.935 8.583 1.00 0.00 C ATOM 831 O VAL A 54 0.180 -2.391 7.489 1.00 0.00 O ATOM 832 CB VAL A 54 -0.236 -1.712 10.875 1.00 0.00 C ATOM 833 CG1 VAL A 54 1.282 -1.886 10.958 1.00 0.00 C ATOM 834 CG2 VAL A 54 -0.540 -0.214 10.857 1.00 0.00 C ATOM 0 H VAL A 54 -2.829 -3.015 9.654 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.341 -1.506 9.120 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.657 -2.223 11.741 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.655 -1.404 11.862 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.525 -2.948 10.987 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.749 -1.430 10.085 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.087 0.260 11.728 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.131 0.229 9.949 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.619 -0.061 10.881 1.00 0.00 H new ATOM 844 N GLU A 55 0.669 -4.057 8.916 1.00 0.00 N ATOM 845 CA GLU A 55 1.631 -4.749 8.093 1.00 0.00 C ATOM 846 C GLU A 55 0.912 -5.570 7.026 1.00 0.00 C ATOM 847 O GLU A 55 1.428 -5.717 5.915 1.00 0.00 O ATOM 848 CB GLU A 55 2.511 -5.612 9.002 1.00 0.00 C ATOM 849 CG GLU A 55 3.994 -5.355 8.699 1.00 0.00 C ATOM 850 CD GLU A 55 4.911 -6.096 9.660 1.00 0.00 C ATOM 851 OE1 GLU A 55 5.014 -5.643 10.815 1.00 0.00 O ATOM 852 OE2 GLU A 55 5.470 -7.121 9.211 1.00 0.00 O ATOM 0 H GLU A 55 0.503 -4.525 9.807 1.00 0.00 H new ATOM 0 HA GLU A 55 2.271 -4.042 7.565 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.301 -5.385 10.047 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.279 -6.666 8.852 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.214 -5.665 7.677 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.196 -4.285 8.758 1.00 0.00 H new ATOM 859 N GLU A 56 -0.274 -6.102 7.362 1.00 0.00 N ATOM 860 CA GLU A 56 -1.006 -6.949 6.440 1.00 0.00 C ATOM 861 C GLU A 56 -1.182 -6.258 5.096 1.00 0.00 C ATOM 862 O GLU A 56 -0.841 -6.837 4.072 1.00 0.00 O ATOM 863 CB GLU A 56 -2.346 -7.365 7.044 1.00 0.00 C ATOM 864 CG GLU A 56 -2.174 -8.582 7.957 1.00 0.00 C ATOM 865 CD GLU A 56 -1.652 -9.794 7.193 1.00 0.00 C ATOM 866 OE1 GLU A 56 -2.416 -10.297 6.344 1.00 0.00 O ATOM 867 OE2 GLU A 56 -0.478 -10.150 7.437 1.00 0.00 O ATOM 0 H GLU A 56 -0.734 -5.955 8.261 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.428 -7.856 6.265 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.768 -6.535 7.611 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.053 -7.599 6.248 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.484 -8.336 8.764 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.130 -8.828 8.419 1.00 0.00 H new ATOM 874 N MET A 57 -1.650 -5.007 5.119 1.00 0.00 N ATOM 875 CA MET A 57 -1.742 -4.121 3.974 1.00 0.00 C ATOM 876 C MET A 57 -0.620 -4.396 2.966 1.00 0.00 C ATOM 877 O MET A 57 -0.885 -4.743 1.819 1.00 0.00 O ATOM 878 CB MET A 57 -1.735 -2.667 4.495 1.00 0.00 C ATOM 879 CG MET A 57 -2.846 -1.802 3.890 1.00 0.00 C ATOM 880 SD MET A 57 -2.364 -0.660 2.575 1.00 0.00 S ATOM 881 CE MET A 57 -1.726 -1.756 1.300 1.00 0.00 C ATOM 0 H MET A 57 -1.988 -4.573 5.978 1.00 0.00 H new ATOM 0 HA MET A 57 -2.670 -4.297 3.430 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.841 -2.676 5.580 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.769 -2.213 4.273 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.618 -2.465 3.498 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.301 -1.223 4.693 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.816 -1.273 0.327 1.00 0.00 H new ATOM 0 HE2 MET A 57 -0.677 -1.976 1.501 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.298 -2.684 1.299 1.00 0.00 H new ATOM 891 N LYS A 58 0.636 -4.280 3.401 1.00 0.00 N ATOM 892 CA LYS A 58 1.776 -4.506 2.527 1.00 0.00 C ATOM 893 C LYS A 58 1.898 -5.979 2.144 1.00 0.00 C ATOM 894 O LYS A 58 2.115 -6.301 0.977 1.00 0.00 O ATOM 895 CB LYS A 58 3.045 -3.941 3.182 1.00 0.00 C ATOM 896 CG LYS A 58 4.271 -4.067 2.264 1.00 0.00 C ATOM 897 CD LYS A 58 5.076 -5.352 2.513 1.00 0.00 C ATOM 898 CE LYS A 58 6.038 -5.337 3.710 1.00 0.00 C ATOM 899 NZ LYS A 58 7.194 -6.243 3.486 1.00 0.00 N ATOM 0 H LYS A 58 0.884 -4.030 4.358 1.00 0.00 H new ATOM 0 HA LYS A 58 1.628 -3.972 1.588 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.887 -2.892 3.434 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.236 -4.468 4.117 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.944 -4.045 1.224 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.920 -3.204 2.412 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.373 -6.174 2.651 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.653 -5.573 1.615 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.397 -4.321 3.878 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.505 -5.640 4.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.834 -6.198 4.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.853 -7.218 3.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.706 -5.948 2.630 1.00 0.00 H new ATOM 913 N LYS A 59 1.791 -6.885 3.114 1.00 0.00 N ATOM 914 CA LYS A 59 1.887 -8.315 2.845 1.00 0.00 C ATOM 915 C LYS A 59 0.891 -8.774 1.775 1.00 0.00 C ATOM 916 O LYS A 59 1.202 -9.672 0.994 1.00 0.00 O ATOM 917 CB LYS A 59 1.757 -9.105 4.146 1.00 0.00 C ATOM 918 CG LYS A 59 3.117 -9.340 4.814 1.00 0.00 C ATOM 919 CD LYS A 59 3.980 -8.072 4.992 1.00 0.00 C ATOM 920 CE LYS A 59 5.017 -8.290 6.102 1.00 0.00 C ATOM 921 NZ LYS A 59 4.385 -8.518 7.418 1.00 0.00 N ATOM 0 H LYS A 59 1.637 -6.652 4.095 1.00 0.00 H new ATOM 0 HA LYS A 59 2.874 -8.517 2.429 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.104 -8.567 4.833 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.283 -10.065 3.941 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.952 -9.790 5.793 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.677 -10.063 4.221 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.484 -7.831 4.056 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.344 -7.222 5.240 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.644 -9.145 5.849 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.672 -7.421 6.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.004 -8.151 8.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.469 -8.026 7.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.236 -9.538 7.560 1.00 0.00 H new ATOM 935 N GLN A 60 -0.280 -8.140 1.691 1.00 0.00 N ATOM 936 CA GLN A 60 -1.283 -8.464 0.693 1.00 0.00 C ATOM 937 C GLN A 60 -0.702 -8.193 -0.691 1.00 0.00 C ATOM 938 O GLN A 60 -0.861 -8.992 -1.607 1.00 0.00 O ATOM 939 CB GLN A 60 -2.549 -7.642 0.945 1.00 0.00 C ATOM 940 CG GLN A 60 -3.030 -7.764 2.398 1.00 0.00 C ATOM 941 CD GLN A 60 -4.430 -8.337 2.582 1.00 0.00 C ATOM 942 OE1 GLN A 60 -5.223 -7.802 3.350 1.00 0.00 O ATOM 943 NE2 GLN A 60 -4.751 -9.430 1.898 1.00 0.00 N ATOM 0 H GLN A 60 -0.554 -7.385 2.320 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.558 -9.517 0.755 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.354 -6.595 0.714 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.339 -7.976 0.272 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.325 -8.392 2.944 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.998 -6.776 2.857 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.072 -9.854 1.266 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.677 -9.845 2.005 1.00 0.00 H new ATOM 952 N ILE A 61 0.007 -7.070 -0.813 1.00 0.00 N ATOM 953 CA ILE A 61 0.757 -6.740 -2.019 1.00 0.00 C ATOM 954 C ILE A 61 1.881 -7.751 -2.250 1.00 0.00 C ATOM 955 O ILE A 61 1.999 -8.248 -3.367 1.00 0.00 O ATOM 956 CB ILE A 61 1.243 -5.284 -2.025 1.00 0.00 C ATOM 957 CG1 ILE A 61 0.085 -4.322 -2.339 1.00 0.00 C ATOM 958 CG2 ILE A 61 2.295 -5.037 -3.112 1.00 0.00 C ATOM 959 CD1 ILE A 61 -0.662 -3.943 -1.073 1.00 0.00 C ATOM 0 H ILE A 61 0.076 -6.366 -0.078 1.00 0.00 H new ATOM 0 HA ILE A 61 0.078 -6.817 -2.868 1.00 0.00 H new ATOM 0 HB ILE A 61 1.661 -5.108 -1.034 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.473 -3.424 -2.820 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.601 -4.790 -3.045 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.612 -3.995 -3.081 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.156 -5.683 -2.939 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.867 -5.258 -4.090 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.476 -3.262 -1.321 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.069 -4.841 -0.608 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.022 -3.453 -0.380 1.00 0.00 H new ATOM 971 N GLU A 62 2.688 -8.076 -1.229 1.00 0.00 N ATOM 972 CA GLU A 62 3.781 -9.038 -1.387 1.00 0.00 C ATOM 973 C GLU A 62 3.237 -10.296 -2.059 1.00 0.00 C ATOM 974 O GLU A 62 3.739 -10.762 -3.084 1.00 0.00 O ATOM 975 CB GLU A 62 4.422 -9.403 -0.051 1.00 0.00 C ATOM 976 CG GLU A 62 5.032 -8.140 0.545 1.00 0.00 C ATOM 977 CD GLU A 62 6.318 -8.441 1.273 1.00 0.00 C ATOM 978 OE1 GLU A 62 7.328 -8.558 0.550 1.00 0.00 O ATOM 979 OE2 GLU A 62 6.284 -8.468 2.524 1.00 0.00 O ATOM 0 H GLU A 62 2.602 -7.687 -0.290 1.00 0.00 H new ATOM 0 HA GLU A 62 4.554 -8.578 -2.002 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.677 -9.822 0.626 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.188 -10.165 -0.193 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.222 -7.417 -0.248 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.322 -7.681 1.232 1.00 0.00 H new ATOM 986 N ALA A 63 2.145 -10.783 -1.463 1.00 0.00 N ATOM 987 CA ALA A 63 1.415 -11.978 -1.833 1.00 0.00 C ATOM 988 C ALA A 63 0.856 -11.952 -3.260 1.00 0.00 C ATOM 989 O ALA A 63 0.572 -13.017 -3.803 1.00 0.00 O ATOM 990 CB ALA A 63 0.302 -12.194 -0.806 1.00 0.00 C ATOM 0 H ALA A 63 1.728 -10.316 -0.658 1.00 0.00 H new ATOM 0 HA ALA A 63 2.116 -12.813 -1.828 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.263 -13.090 -1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.740 -12.314 0.185 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.365 -11.332 -0.806 1.00 0.00 H new ATOM 996 N MET A 64 0.711 -10.779 -3.894 1.00 0.00 N ATOM 997 CA MET A 64 0.382 -10.721 -5.317 1.00 0.00 C ATOM 998 C MET A 64 1.493 -11.394 -6.130 1.00 0.00 C ATOM 999 O MET A 64 1.229 -11.959 -7.189 1.00 0.00 O ATOM 1000 CB MET A 64 0.182 -9.271 -5.783 1.00 0.00 C ATOM 1001 CG MET A 64 -0.921 -8.532 -5.012 1.00 0.00 C ATOM 1002 SD MET A 64 -2.628 -9.098 -5.235 1.00 0.00 S ATOM 1003 CE MET A 64 -2.969 -8.462 -6.890 1.00 0.00 C ATOM 0 H MET A 64 0.816 -9.869 -3.445 1.00 0.00 H new ATOM 0 HA MET A 64 -0.556 -11.253 -5.477 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.120 -8.728 -5.671 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.063 -9.269 -6.845 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.684 -8.590 -3.950 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.878 -7.479 -5.291 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.986 -8.727 -7.179 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.862 -7.377 -6.892 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.265 -8.898 -7.599 1.00 0.00 H new ATOM 1013 N GLY A 65 2.730 -11.331 -5.623 1.00 0.00 N ATOM 1014 CA GLY A 65 3.877 -12.070 -6.133 1.00 0.00 C ATOM 1015 C GLY A 65 5.040 -11.140 -6.466 1.00 0.00 C ATOM 1016 O GLY A 65 5.709 -11.336 -7.477 1.00 0.00 O ATOM 0 H GLY A 65 2.961 -10.744 -4.821 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.197 -12.803 -5.393 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.586 -12.624 -7.025 1.00 0.00 H new ATOM 1020 N PHE A 66 5.286 -10.136 -5.616 1.00 0.00 N ATOM 1021 CA PHE A 66 6.321 -9.126 -5.823 1.00 0.00 C ATOM 1022 C PHE A 66 6.827 -8.698 -4.453 1.00 0.00 C ATOM 1023 O PHE A 66 6.002 -8.249 -3.669 1.00 0.00 O ATOM 1024 CB PHE A 66 5.724 -7.901 -6.526 1.00 0.00 C ATOM 1025 CG PHE A 66 5.370 -8.160 -7.970 1.00 0.00 C ATOM 1026 CD1 PHE A 66 6.395 -8.202 -8.930 1.00 0.00 C ATOM 1027 CD2 PHE A 66 4.072 -8.575 -8.311 1.00 0.00 C ATOM 1028 CE1 PHE A 66 6.119 -8.631 -10.238 1.00 0.00 C ATOM 1029 CE2 PHE A 66 3.810 -9.065 -9.600 1.00 0.00 C ATOM 1030 CZ PHE A 66 4.826 -9.067 -10.573 1.00 0.00 C ATOM 0 H PHE A 66 4.761 -10.004 -4.752 1.00 0.00 H new ATOM 0 HA PHE A 66 7.125 -9.534 -6.436 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.830 -7.583 -5.991 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.436 -7.077 -6.475 1.00 0.00 H new ATOM 0 HD1 PHE A 66 7.398 -7.904 -8.661 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.277 -8.517 -7.582 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.899 -8.626 -10.985 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.828 -9.441 -9.845 1.00 0.00 H new ATOM 0 HZ PHE A 66 4.612 -9.403 -11.577 1.00 0.00 H new ATOM 1040 N PRO A 67 8.122 -8.816 -4.132 1.00 0.00 N ATOM 1041 CA PRO A 67 8.611 -8.488 -2.802 1.00 0.00 C ATOM 1042 C PRO A 67 8.366 -7.005 -2.534 1.00 0.00 C ATOM 1043 O PRO A 67 8.876 -6.170 -3.278 1.00 0.00 O ATOM 1044 CB PRO A 67 10.103 -8.839 -2.830 1.00 0.00 C ATOM 1045 CG PRO A 67 10.485 -8.683 -4.304 1.00 0.00 C ATOM 1046 CD PRO A 67 9.216 -9.114 -5.041 1.00 0.00 C ATOM 0 HA PRO A 67 8.108 -9.033 -2.003 1.00 0.00 H new ATOM 0 HB2 PRO A 67 10.683 -8.171 -2.193 1.00 0.00 H new ATOM 0 HB3 PRO A 67 10.282 -9.854 -2.475 1.00 0.00 H new ATOM 0 HG2 PRO A 67 10.760 -7.655 -4.542 1.00 0.00 H new ATOM 0 HG3 PRO A 67 11.337 -9.310 -4.568 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.104 -8.573 -5.981 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.245 -10.176 -5.286 1.00 0.00 H new ATOM 1054 N ALA A 68 7.568 -6.665 -1.513 1.00 0.00 N ATOM 1055 CA ALA A 68 7.263 -5.276 -1.216 1.00 0.00 C ATOM 1056 C ALA A 68 7.713 -4.935 0.199 1.00 0.00 C ATOM 1057 O ALA A 68 8.153 -5.788 0.972 1.00 0.00 O ATOM 1058 CB ALA A 68 5.775 -5.016 -1.474 1.00 0.00 C ATOM 0 H ALA A 68 7.127 -7.337 -0.885 1.00 0.00 H new ATOM 0 HA ALA A 68 7.816 -4.608 -1.876 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.544 -3.974 -1.252 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.545 -5.224 -2.519 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.176 -5.665 -0.835 1.00 0.00 H new ATOM 1064 N PHE A 69 7.589 -3.670 0.578 1.00 0.00 N ATOM 1065 CA PHE A 69 8.162 -3.167 1.813 1.00 0.00 C ATOM 1066 C PHE A 69 7.378 -1.981 2.337 1.00 0.00 C ATOM 1067 O PHE A 69 6.958 -1.132 1.564 1.00 0.00 O ATOM 1068 CB PHE A 69 9.656 -2.849 1.668 1.00 0.00 C ATOM 1069 CG PHE A 69 10.507 -3.698 2.592 1.00 0.00 C ATOM 1070 CD1 PHE A 69 10.460 -3.484 3.984 1.00 0.00 C ATOM 1071 CD2 PHE A 69 11.219 -4.796 2.076 1.00 0.00 C ATOM 1072 CE1 PHE A 69 11.115 -4.372 4.855 1.00 0.00 C ATOM 1073 CE2 PHE A 69 11.899 -5.664 2.946 1.00 0.00 C ATOM 1074 CZ PHE A 69 11.840 -5.460 4.336 1.00 0.00 C ATOM 0 H PHE A 69 7.088 -2.966 0.036 1.00 0.00 H new ATOM 0 HA PHE A 69 8.086 -3.962 2.554 1.00 0.00 H new ATOM 0 HB2 PHE A 69 9.964 -3.015 0.636 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.825 -1.794 1.885 1.00 0.00 H new ATOM 0 HD1 PHE A 69 9.920 -2.637 4.382 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.243 -4.972 1.011 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.062 -4.219 5.923 1.00 0.00 H new ATOM 0 HE2 PHE A 69 12.469 -6.490 2.546 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.351 -6.138 5.004 1.00 0.00 H new ATOM 1084 N VAL A 70 7.167 -1.940 3.651 1.00 0.00 N ATOM 1085 CA VAL A 70 6.392 -0.920 4.327 1.00 0.00 C ATOM 1086 C VAL A 70 7.363 -0.145 5.207 1.00 0.00 C ATOM 1087 O VAL A 70 8.189 -0.757 5.881 1.00 0.00 O ATOM 1088 CB VAL A 70 5.191 -1.557 5.039 1.00 0.00 C ATOM 1089 CG1 VAL A 70 5.579 -2.094 6.401 1.00 0.00 C ATOM 1090 CG2 VAL A 70 4.035 -0.568 5.175 1.00 0.00 C ATOM 0 H VAL A 70 7.546 -2.641 4.288 1.00 0.00 H new ATOM 0 HA VAL A 70 5.932 -0.201 3.649 1.00 0.00 H new ATOM 0 HB VAL A 70 4.859 -2.391 4.421 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.706 -2.539 6.879 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.355 -2.851 6.286 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.956 -1.279 7.019 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.201 -1.051 5.684 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.362 0.296 5.754 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.717 -0.242 4.185 1.00 0.00 H new