USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 423 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.0556 (180deg=-0.264) USER MOD Single : A 2 GLN : amide:sc=-0.00108 X(o=-0.0011,f=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.093 K(o=-0.093,f=-3.3!) USER MOD Single : A 10 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.037) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.238 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 128:sc= 1.68 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -1.79 K(o=-1.8,f=-3.9!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.507 K(o=-0.51,f=-1.5) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 174:sc= 0.187 (180deg=0.183) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.422 1.942 -1.205 1.00 0.00 N ATOM 2 CA MET A 1 1.400 0.629 -0.572 1.00 0.00 C ATOM 3 C MET A 1 2.804 0.205 -0.150 1.00 0.00 C ATOM 4 O MET A 1 3.094 -0.986 -0.037 1.00 0.00 O ATOM 5 CB MET A 1 0.806 -0.410 -1.525 1.00 0.00 C ATOM 6 CG MET A 1 -0.712 -0.379 -1.588 1.00 0.00 C ATOM 7 SD MET A 1 -1.333 -0.149 -3.265 1.00 0.00 S ATOM 8 CE MET A 1 -2.326 -1.627 -3.464 1.00 0.00 C ATOM 0 H1 MET A 1 0.506 2.122 -1.662 1.00 0.00 H new ATOM 0 H2 MET A 1 1.599 2.671 -0.485 1.00 0.00 H new ATOM 0 H3 MET A 1 2.177 1.970 -1.920 1.00 0.00 H new ATOM 0 HA MET A 1 0.776 0.693 0.319 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.206 -0.244 -2.525 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.128 -1.403 -1.213 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.108 -1.310 -1.183 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.082 0.427 -0.954 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.778 -1.631 -4.456 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.694 -2.508 -3.350 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.110 -1.643 -2.707 1.00 0.00 H new ATOM 18 N GLN A 2 3.669 1.187 0.080 1.00 0.00 N ATOM 19 CA GLN A 2 5.042 0.914 0.489 1.00 0.00 C ATOM 20 C GLN A 2 5.275 1.338 1.935 1.00 0.00 C ATOM 21 O GLN A 2 4.813 2.396 2.364 1.00 0.00 O ATOM 22 CB GLN A 2 6.024 1.641 -0.432 1.00 0.00 C ATOM 23 CG GLN A 2 5.365 2.276 -1.645 1.00 0.00 C ATOM 24 CD GLN A 2 6.351 3.021 -2.523 1.00 0.00 C ATOM 25 OE1 GLN A 2 7.311 2.440 -3.029 1.00 0.00 O ATOM 26 NE2 GLN A 2 6.119 4.315 -2.708 1.00 0.00 N ATOM 0 H GLN A 2 3.444 2.178 -0.010 1.00 0.00 H new ATOM 0 HA GLN A 2 5.210 -0.160 0.414 1.00 0.00 H new ATOM 0 HB2 GLN A 2 6.539 2.415 0.138 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.783 0.935 -0.769 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.874 1.501 -2.234 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.588 2.965 -1.313 1.00 0.00 H new ATOM 0 HE21 GLN A 2 5.311 4.756 -2.269 1.00 0.00 H new ATOM 0 HE22 GLN A 2 6.749 4.868 -3.289 1.00 0.00 H new ATOM 35 N TYR A 3 5.992 0.506 2.682 1.00 0.00 N ATOM 36 CA TYR A 3 6.283 0.794 4.082 1.00 0.00 C ATOM 37 C TYR A 3 7.781 0.988 4.298 1.00 0.00 C ATOM 38 O TYR A 3 8.599 0.232 3.774 1.00 0.00 O ATOM 39 CB TYR A 3 5.770 -0.338 4.974 1.00 0.00 C ATOM 40 CG TYR A 3 4.412 -0.863 4.565 1.00 0.00 C ATOM 41 CD1 TYR A 3 3.415 0.000 4.129 1.00 0.00 C ATOM 42 CD2 TYR A 3 4.126 -2.221 4.617 1.00 0.00 C ATOM 43 CE1 TYR A 3 2.172 -0.474 3.755 1.00 0.00 C ATOM 44 CE2 TYR A 3 2.887 -2.705 4.244 1.00 0.00 C ATOM 45 CZ TYR A 3 1.914 -1.828 3.814 1.00 0.00 C ATOM 46 OH TYR A 3 0.678 -2.306 3.443 1.00 0.00 O ATOM 0 H TYR A 3 6.382 -0.373 2.342 1.00 0.00 H new ATOM 0 HA TYR A 3 5.773 1.719 4.350 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.488 -1.158 4.955 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.718 0.017 6.003 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.615 1.060 4.081 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.885 -2.911 4.955 1.00 0.00 H new ATOM 0 HE1 TYR A 3 1.408 0.211 3.419 1.00 0.00 H new ATOM 0 HE2 TYR A 3 2.682 -3.764 4.289 1.00 0.00 H new ATOM 0 HH TYR A 3 0.661 -3.281 3.542 1.00 0.00 H new ATOM 56 N LYS A 4 8.133 2.006 5.075 1.00 0.00 N ATOM 57 CA LYS A 4 9.531 2.301 5.364 1.00 0.00 C ATOM 58 C LYS A 4 9.910 1.821 6.762 1.00 0.00 C ATOM 59 O LYS A 4 9.080 1.809 7.672 1.00 0.00 O ATOM 60 CB LYS A 4 9.793 3.804 5.241 1.00 0.00 C ATOM 61 CG LYS A 4 11.239 4.192 5.492 1.00 0.00 C ATOM 62 CD LYS A 4 11.443 5.693 5.371 1.00 0.00 C ATOM 63 CE LYS A 4 12.282 6.045 4.152 1.00 0.00 C ATOM 64 NZ LYS A 4 12.728 7.465 4.176 1.00 0.00 N ATOM 0 H LYS A 4 7.468 2.642 5.516 1.00 0.00 H new ATOM 0 HA LYS A 4 10.146 1.771 4.637 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.505 4.134 4.243 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.155 4.334 5.948 1.00 0.00 H new ATOM 0 HG2 LYS A 4 11.538 3.862 6.487 1.00 0.00 H new ATOM 0 HG3 LYS A 4 11.884 3.678 4.779 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.475 6.189 5.303 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.931 6.069 6.271 1.00 0.00 H new ATOM 0 HE2 LYS A 4 13.153 5.392 4.110 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.702 5.862 3.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 13.297 7.665 3.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.897 8.090 4.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 13.303 7.634 5.026 1.00 0.00 H new ATOM 78 N LEU A 5 11.169 1.428 6.926 1.00 0.00 N ATOM 79 CA LEU A 5 11.659 0.949 8.213 1.00 0.00 C ATOM 80 C LEU A 5 12.914 1.706 8.634 1.00 0.00 C ATOM 81 O LEU A 5 13.727 2.097 7.796 1.00 0.00 O ATOM 82 CB LEU A 5 11.953 -0.551 8.143 1.00 0.00 C ATOM 83 CG LEU A 5 12.887 -1.103 9.221 1.00 0.00 C ATOM 84 CD1 LEU A 5 12.257 -0.961 10.597 1.00 0.00 C ATOM 85 CD2 LEU A 5 13.228 -2.558 8.936 1.00 0.00 C ATOM 0 H LEU A 5 11.868 1.432 6.184 1.00 0.00 H new ATOM 0 HA LEU A 5 10.883 1.126 8.958 1.00 0.00 H new ATOM 0 HB2 LEU A 5 11.007 -1.089 8.200 1.00 0.00 H new ATOM 0 HB3 LEU A 5 12.387 -0.771 7.167 1.00 0.00 H new ATOM 0 HG LEU A 5 13.810 -0.524 9.206 1.00 0.00 H new ATOM 0 HD11 LEU A 5 12.936 -1.359 11.351 1.00 0.00 H new ATOM 0 HD12 LEU A 5 12.064 0.092 10.802 1.00 0.00 H new ATOM 0 HD13 LEU A 5 11.318 -1.514 10.626 1.00 0.00 H new ATOM 0 HD21 LEU A 5 13.893 -2.935 9.713 1.00 0.00 H new ATOM 0 HD22 LEU A 5 12.313 -3.150 8.923 1.00 0.00 H new ATOM 0 HD23 LEU A 5 13.722 -2.633 7.967 1.00 0.00 H new ATOM 97 N VAL A 6 13.068 1.907 9.939 1.00 0.00 N ATOM 98 CA VAL A 6 14.227 2.614 10.472 1.00 0.00 C ATOM 99 C VAL A 6 15.042 1.716 11.395 1.00 0.00 C ATOM 100 O VAL A 6 14.488 0.893 12.125 1.00 0.00 O ATOM 101 CB VAL A 6 13.806 3.879 11.245 1.00 0.00 C ATOM 102 CG1 VAL A 6 15.023 4.573 11.836 1.00 0.00 C ATOM 103 CG2 VAL A 6 13.031 4.823 10.338 1.00 0.00 C ATOM 0 H VAL A 6 12.405 1.590 10.647 1.00 0.00 H new ATOM 0 HA VAL A 6 14.840 2.905 9.619 1.00 0.00 H new ATOM 0 HB VAL A 6 13.153 3.583 12.066 1.00 0.00 H new ATOM 0 HG11 VAL A 6 14.706 5.464 12.378 1.00 0.00 H new ATOM 0 HG12 VAL A 6 15.533 3.894 12.520 1.00 0.00 H new ATOM 0 HG13 VAL A 6 15.704 4.859 11.034 1.00 0.00 H new ATOM 0 HG21 VAL A 6 12.741 5.711 10.900 1.00 0.00 H new ATOM 0 HG22 VAL A 6 13.658 5.115 9.496 1.00 0.00 H new ATOM 0 HG23 VAL A 6 12.137 4.320 9.968 1.00 0.00 H new ATOM 113 N ILE A 7 16.360 1.879 11.358 1.00 0.00 N ATOM 114 CA ILE A 7 17.252 1.084 12.192 1.00 0.00 C ATOM 115 C ILE A 7 17.901 1.940 13.274 1.00 0.00 C ATOM 116 O ILE A 7 18.840 2.688 13.008 1.00 0.00 O ATOM 117 CB ILE A 7 18.355 0.410 11.355 1.00 0.00 C ATOM 118 CG1 ILE A 7 17.736 -0.492 10.286 1.00 0.00 C ATOM 119 CG2 ILE A 7 19.289 -0.388 12.253 1.00 0.00 C ATOM 120 CD1 ILE A 7 18.669 -0.792 9.134 1.00 0.00 C ATOM 0 H ILE A 7 16.834 2.555 10.759 1.00 0.00 H new ATOM 0 HA ILE A 7 16.641 0.312 12.660 1.00 0.00 H new ATOM 0 HB ILE A 7 18.936 1.186 10.857 1.00 0.00 H new ATOM 0 HG12 ILE A 7 17.428 -1.430 10.748 1.00 0.00 H new ATOM 0 HG13 ILE A 7 16.835 -0.017 9.899 1.00 0.00 H new ATOM 0 HG21 ILE A 7 20.063 -0.858 11.647 1.00 0.00 H new ATOM 0 HG22 ILE A 7 19.753 0.279 12.980 1.00 0.00 H new ATOM 0 HG23 ILE A 7 18.721 -1.157 12.777 1.00 0.00 H new ATOM 0 HD11 ILE A 7 18.164 -1.436 8.415 1.00 0.00 H new ATOM 0 HD12 ILE A 7 18.957 0.140 8.647 1.00 0.00 H new ATOM 0 HD13 ILE A 7 19.560 -1.296 9.509 1.00 0.00 H new ATOM 132 N ASN A 8 17.395 1.822 14.498 1.00 0.00 N ATOM 133 CA ASN A 8 17.926 2.584 15.622 1.00 0.00 C ATOM 134 C ASN A 8 18.676 1.674 16.590 1.00 0.00 C ATOM 135 O ASN A 8 18.320 1.571 17.763 1.00 0.00 O ATOM 136 CB ASN A 8 16.795 3.307 16.355 1.00 0.00 C ATOM 137 CG ASN A 8 16.470 4.652 15.734 1.00 0.00 C ATOM 138 OD1 ASN A 8 15.345 4.888 15.291 1.00 0.00 O ATOM 139 ND2 ASN A 8 17.455 5.541 15.698 1.00 0.00 N ATOM 0 H ASN A 8 16.618 1.206 14.736 1.00 0.00 H new ATOM 0 HA ASN A 8 18.625 3.323 15.230 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.903 2.681 16.347 1.00 0.00 H new ATOM 0 HB3 ASN A 8 17.075 3.450 17.399 1.00 0.00 H new ATOM 0 HD21 ASN A 8 17.295 6.463 15.292 1.00 0.00 H new ATOM 0 HD22 ASN A 8 18.371 5.302 16.077 1.00 0.00 H new ATOM 146 N GLY A 9 19.717 1.015 16.090 1.00 0.00 N ATOM 147 CA GLY A 9 20.500 0.123 16.924 1.00 0.00 C ATOM 148 C GLY A 9 21.617 0.842 17.654 1.00 0.00 C ATOM 149 O GLY A 9 21.592 2.065 17.792 1.00 0.00 O ATOM 0 H GLY A 9 20.032 1.083 15.122 1.00 0.00 H new ATOM 0 HA2 GLY A 9 19.845 -0.357 17.651 1.00 0.00 H new ATOM 0 HA3 GLY A 9 20.925 -0.668 16.306 1.00 0.00 H new ATOM 153 N LYS A 10 22.601 0.082 18.123 1.00 0.00 N ATOM 154 CA LYS A 10 23.733 0.654 18.843 1.00 0.00 C ATOM 155 C LYS A 10 24.785 1.179 17.873 1.00 0.00 C ATOM 156 O LYS A 10 25.159 2.352 17.921 1.00 0.00 O ATOM 157 CB LYS A 10 24.355 -0.393 19.770 1.00 0.00 C ATOM 158 CG LYS A 10 24.647 0.128 21.166 1.00 0.00 C ATOM 159 CD LYS A 10 25.803 1.113 21.163 1.00 0.00 C ATOM 160 CE LYS A 10 26.812 0.793 22.255 1.00 0.00 C ATOM 161 NZ LYS A 10 27.573 -0.453 21.960 1.00 0.00 N ATOM 0 H LYS A 10 22.637 -0.932 18.017 1.00 0.00 H new ATOM 0 HA LYS A 10 23.368 1.489 19.441 1.00 0.00 H new ATOM 0 HB2 LYS A 10 23.682 -1.247 19.843 1.00 0.00 H new ATOM 0 HB3 LYS A 10 25.282 -0.755 19.325 1.00 0.00 H new ATOM 0 HG2 LYS A 10 23.757 0.612 21.568 1.00 0.00 H new ATOM 0 HG3 LYS A 10 24.882 -0.708 21.825 1.00 0.00 H new ATOM 0 HD2 LYS A 10 26.298 1.092 20.192 1.00 0.00 H new ATOM 0 HD3 LYS A 10 25.421 2.124 21.304 1.00 0.00 H new ATOM 0 HE2 LYS A 10 27.507 1.626 22.363 1.00 0.00 H new ATOM 0 HE3 LYS A 10 26.294 0.685 23.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 28.370 -0.538 22.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 26.946 -1.276 22.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 27.935 -0.416 20.986 1.00 0.00 H new ATOM 175 N THR A 11 25.260 0.305 16.991 1.00 0.00 N ATOM 176 CA THR A 11 26.269 0.681 16.009 1.00 0.00 C ATOM 177 C THR A 11 25.789 0.396 14.590 1.00 0.00 C ATOM 178 O THR A 11 26.572 -0.001 13.727 1.00 0.00 O ATOM 179 CB THR A 11 27.594 -0.067 16.250 1.00 0.00 C ATOM 180 OG1 THR A 11 27.623 -0.595 17.581 1.00 0.00 O ATOM 181 CG2 THR A 11 28.783 0.857 16.039 1.00 0.00 C ATOM 0 H THR A 11 24.962 -0.669 16.937 1.00 0.00 H new ATOM 0 HA THR A 11 26.438 1.752 16.124 1.00 0.00 H new ATOM 0 HB THR A 11 27.659 -0.886 15.533 1.00 0.00 H new ATOM 0 HG1 THR A 11 28.468 -1.071 17.726 1.00 0.00 H new ATOM 0 HG21 THR A 11 29.707 0.307 16.215 1.00 0.00 H new ATOM 0 HG22 THR A 11 28.774 1.234 15.016 1.00 0.00 H new ATOM 0 HG23 THR A 11 28.721 1.694 16.735 1.00 0.00 H new ATOM 189 N LEU A 12 24.498 0.603 14.355 1.00 0.00 N ATOM 190 CA LEU A 12 23.913 0.369 13.039 1.00 0.00 C ATOM 191 C LEU A 12 22.711 1.279 12.809 1.00 0.00 C ATOM 192 O LEU A 12 21.717 1.209 13.532 1.00 0.00 O ATOM 193 CB LEU A 12 23.493 -1.095 12.899 1.00 0.00 C ATOM 194 CG LEU A 12 23.026 -1.529 11.509 1.00 0.00 C ATOM 195 CD1 LEU A 12 24.038 -1.115 10.452 1.00 0.00 C ATOM 196 CD2 LEU A 12 22.795 -3.032 11.469 1.00 0.00 C ATOM 0 H LEU A 12 23.836 0.932 15.058 1.00 0.00 H new ATOM 0 HA LEU A 12 24.668 0.597 12.287 1.00 0.00 H new ATOM 0 HB2 LEU A 12 24.335 -1.723 13.190 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.689 -1.291 13.608 1.00 0.00 H new ATOM 0 HG LEU A 12 22.081 -1.031 11.293 1.00 0.00 H new ATOM 0 HD11 LEU A 12 23.688 -1.432 9.470 1.00 0.00 H new ATOM 0 HD12 LEU A 12 24.153 -0.031 10.463 1.00 0.00 H new ATOM 0 HD13 LEU A 12 24.999 -1.584 10.664 1.00 0.00 H new ATOM 0 HD21 LEU A 12 22.463 -3.323 10.472 1.00 0.00 H new ATOM 0 HD22 LEU A 12 23.724 -3.549 11.707 1.00 0.00 H new ATOM 0 HD23 LEU A 12 22.032 -3.302 12.199 1.00 0.00 H new ATOM 208 N LYS A 13 22.807 2.132 11.794 1.00 0.00 N ATOM 209 CA LYS A 13 21.727 3.054 11.465 1.00 0.00 C ATOM 210 C LYS A 13 21.409 3.009 9.973 1.00 0.00 C ATOM 211 O LYS A 13 22.293 2.788 9.147 1.00 0.00 O ATOM 212 CB LYS A 13 22.103 4.480 11.874 1.00 0.00 C ATOM 213 CG LYS A 13 22.866 4.555 13.185 1.00 0.00 C ATOM 214 CD LYS A 13 22.501 5.802 13.972 1.00 0.00 C ATOM 215 CE LYS A 13 22.997 5.721 15.408 1.00 0.00 C ATOM 216 NZ LYS A 13 23.852 6.886 15.766 1.00 0.00 N ATOM 0 H LYS A 13 23.622 2.203 11.185 1.00 0.00 H new ATOM 0 HA LYS A 13 20.839 2.746 12.018 1.00 0.00 H new ATOM 0 HB2 LYS A 13 22.707 4.928 11.085 1.00 0.00 H new ATOM 0 HB3 LYS A 13 21.195 5.077 11.957 1.00 0.00 H new ATOM 0 HG2 LYS A 13 22.651 3.670 13.784 1.00 0.00 H new ATOM 0 HG3 LYS A 13 23.937 4.551 12.984 1.00 0.00 H new ATOM 0 HD2 LYS A 13 22.931 6.678 13.487 1.00 0.00 H new ATOM 0 HD3 LYS A 13 21.419 5.933 13.967 1.00 0.00 H new ATOM 0 HE2 LYS A 13 22.144 5.675 16.085 1.00 0.00 H new ATOM 0 HE3 LYS A 13 23.563 4.800 15.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 24.170 6.793 16.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 24.680 6.916 15.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 23.305 7.764 15.660 1.00 0.00 H new ATOM 230 N GLY A 14 20.141 3.222 9.636 1.00 0.00 N ATOM 231 CA GLY A 14 19.730 3.203 8.244 1.00 0.00 C ATOM 232 C GLY A 14 18.235 3.015 8.083 1.00 0.00 C ATOM 233 O GLY A 14 17.513 2.865 9.068 1.00 0.00 O ATOM 0 H GLY A 14 19.391 3.407 10.302 1.00 0.00 H new ATOM 0 HA2 GLY A 14 20.029 4.137 7.767 1.00 0.00 H new ATOM 0 HA3 GLY A 14 20.252 2.399 7.725 1.00 0.00 H new ATOM 237 N GLU A 15 17.769 3.025 6.838 1.00 0.00 N ATOM 238 CA GLU A 15 16.349 2.857 6.553 1.00 0.00 C ATOM 239 C GLU A 15 16.142 2.033 5.286 1.00 0.00 C ATOM 240 O GLU A 15 17.053 1.889 4.469 1.00 0.00 O ATOM 241 CB GLU A 15 15.671 4.221 6.405 1.00 0.00 C ATOM 242 CG GLU A 15 16.217 5.278 7.349 1.00 0.00 C ATOM 243 CD GLU A 15 15.534 6.621 7.179 1.00 0.00 C ATOM 244 OE1 GLU A 15 15.886 7.350 6.228 1.00 0.00 O ATOM 245 OE2 GLU A 15 14.647 6.943 7.997 1.00 0.00 O ATOM 0 H GLU A 15 18.354 3.148 6.011 1.00 0.00 H new ATOM 0 HA GLU A 15 15.897 2.324 7.390 1.00 0.00 H new ATOM 0 HB2 GLU A 15 15.790 4.567 5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 15 14.601 4.107 6.581 1.00 0.00 H new ATOM 0 HG2 GLU A 15 16.094 4.940 8.378 1.00 0.00 H new ATOM 0 HG3 GLU A 15 17.287 5.395 7.178 1.00 0.00 H new ATOM 252 N THR A 16 14.937 1.493 5.127 1.00 0.00 N ATOM 253 CA THR A 16 14.610 0.682 3.961 1.00 0.00 C ATOM 254 C THR A 16 13.114 0.718 3.669 1.00 0.00 C ATOM 255 O THR A 16 12.336 1.298 4.427 1.00 0.00 O ATOM 256 CB THR A 16 15.050 -0.781 4.154 1.00 0.00 C ATOM 257 OG1 THR A 16 14.903 -1.502 2.925 1.00 0.00 O ATOM 258 CG2 THR A 16 14.230 -1.454 5.244 1.00 0.00 C ATOM 0 H THR A 16 14.171 1.603 5.792 1.00 0.00 H new ATOM 0 HA THR A 16 15.152 1.108 3.117 1.00 0.00 H new ATOM 0 HB THR A 16 16.098 -0.786 4.455 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.186 -2.431 3.055 1.00 0.00 H new ATOM 0 HG21 THR A 16 14.559 -2.486 5.362 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.367 -0.920 6.184 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.176 -1.439 4.968 1.00 0.00 H new ATOM 266 N THR A 17 12.717 0.092 2.566 1.00 0.00 N ATOM 267 CA THR A 17 11.314 0.052 2.173 1.00 0.00 C ATOM 268 C THR A 17 10.895 -1.357 1.770 1.00 0.00 C ATOM 269 O THR A 17 11.739 -2.217 1.513 1.00 0.00 O ATOM 270 CB THR A 17 11.030 1.014 1.004 1.00 0.00 C ATOM 271 OG1 THR A 17 12.075 0.923 0.030 1.00 0.00 O ATOM 272 CG2 THR A 17 10.914 2.448 1.499 1.00 0.00 C ATOM 0 H THR A 17 13.348 -0.394 1.929 1.00 0.00 H new ATOM 0 HA THR A 17 10.734 0.366 3.041 1.00 0.00 H new ATOM 0 HB THR A 17 10.083 0.726 0.548 1.00 0.00 H new ATOM 0 HG1 THR A 17 11.886 1.536 -0.711 1.00 0.00 H new ATOM 0 HG21 THR A 17 10.713 3.109 0.656 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.098 2.520 2.218 1.00 0.00 H new ATOM 0 HG23 THR A 17 11.847 2.744 1.978 1.00 0.00 H new ATOM 280 N THR A 18 9.587 -1.589 1.715 1.00 0.00 N ATOM 281 CA THR A 18 9.057 -2.894 1.343 1.00 0.00 C ATOM 282 C THR A 18 7.657 -2.771 0.752 1.00 0.00 C ATOM 283 O THR A 18 6.880 -1.901 1.145 1.00 0.00 O ATOM 284 CB THR A 18 9.009 -3.846 2.553 1.00 0.00 C ATOM 285 OG1 THR A 18 10.207 -3.717 3.326 1.00 0.00 O ATOM 286 CG2 THR A 18 8.846 -5.289 2.099 1.00 0.00 C ATOM 0 H THR A 18 8.875 -0.889 1.924 1.00 0.00 H new ATOM 0 HA THR A 18 9.731 -3.306 0.592 1.00 0.00 H new ATOM 0 HB THR A 18 8.150 -3.575 3.167 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.975 -3.561 4.265 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.815 -5.943 2.970 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.919 -5.391 1.535 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.688 -5.568 1.466 1.00 0.00 H new ATOM 294 N LYS A 19 7.341 -3.648 -0.195 1.00 0.00 N ATOM 295 CA LYS A 19 6.033 -3.639 -0.840 1.00 0.00 C ATOM 296 C LYS A 19 5.252 -4.905 -0.502 1.00 0.00 C ATOM 297 O LYS A 19 5.561 -5.988 -0.997 1.00 0.00 O ATOM 298 CB LYS A 19 6.191 -3.515 -2.357 1.00 0.00 C ATOM 299 CG LYS A 19 4.875 -3.580 -3.113 1.00 0.00 C ATOM 300 CD LYS A 19 4.964 -4.512 -4.309 1.00 0.00 C ATOM 301 CE LYS A 19 5.234 -3.745 -5.595 1.00 0.00 C ATOM 302 NZ LYS A 19 5.935 -4.585 -6.605 1.00 0.00 N ATOM 0 H LYS A 19 7.973 -4.374 -0.533 1.00 0.00 H new ATOM 0 HA LYS A 19 5.477 -2.779 -0.467 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.686 -2.571 -2.586 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.844 -4.312 -2.712 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.086 -3.921 -2.443 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.598 -2.581 -3.449 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.758 -5.241 -4.145 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.033 -5.071 -4.406 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.291 -3.389 -6.010 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.837 -2.865 -5.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.101 -4.026 -7.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.846 -4.904 -6.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.348 -5.412 -6.836 1.00 0.00 H new ATOM 316 N ALA A 20 4.236 -4.760 0.343 1.00 0.00 N ATOM 317 CA ALA A 20 3.408 -5.890 0.744 1.00 0.00 C ATOM 318 C ALA A 20 1.927 -5.530 0.696 1.00 0.00 C ATOM 319 O ALA A 20 1.560 -4.359 0.780 1.00 0.00 O ATOM 320 CB ALA A 20 3.795 -6.359 2.140 1.00 0.00 C ATOM 0 H ALA A 20 3.967 -3.870 0.763 1.00 0.00 H new ATOM 0 HA ALA A 20 3.580 -6.703 0.039 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.168 -7.204 2.427 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.841 -6.665 2.144 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.653 -5.544 2.850 1.00 0.00 H new ATOM 326 N VAL A 21 1.080 -6.546 0.561 1.00 0.00 N ATOM 327 CA VAL A 21 -0.361 -6.337 0.502 1.00 0.00 C ATOM 328 C VAL A 21 -0.975 -6.346 1.897 1.00 0.00 C ATOM 329 O VAL A 21 -2.197 -6.343 2.049 1.00 0.00 O ATOM 330 CB VAL A 21 -1.050 -7.414 -0.357 1.00 0.00 C ATOM 331 CG1 VAL A 21 -0.663 -7.259 -1.820 1.00 0.00 C ATOM 332 CG2 VAL A 21 -0.701 -8.804 0.151 1.00 0.00 C ATOM 0 H VAL A 21 1.368 -7.522 0.490 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.521 -5.361 0.044 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.129 -7.283 -0.276 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.159 -8.029 -2.411 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.969 -6.275 -2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.417 -7.362 -1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.196 -9.552 -0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.378 -8.949 0.102 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.034 -8.908 1.184 1.00 0.00 H new ATOM 342 N ASP A 22 -0.120 -6.355 2.913 1.00 0.00 N ATOM 343 CA ASP A 22 -0.578 -6.363 4.298 1.00 0.00 C ATOM 344 C ASP A 22 0.598 -6.233 5.260 1.00 0.00 C ATOM 345 O ASP A 22 1.673 -6.781 5.019 1.00 0.00 O ATOM 346 CB ASP A 22 -1.355 -7.647 4.594 1.00 0.00 C ATOM 347 CG ASP A 22 -2.031 -7.615 5.950 1.00 0.00 C ATOM 348 OD1 ASP A 22 -2.156 -6.513 6.526 1.00 0.00 O ATOM 349 OD2 ASP A 22 -2.435 -8.692 6.436 1.00 0.00 O ATOM 0 H ASP A 22 0.894 -6.357 2.804 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.238 -5.507 4.441 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.107 -7.800 3.820 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.675 -8.498 4.550 1.00 0.00 H new ATOM 354 N ALA A 23 0.386 -5.503 6.350 1.00 0.00 N ATOM 355 CA ALA A 23 1.429 -5.301 7.349 1.00 0.00 C ATOM 356 C ALA A 23 2.034 -6.631 7.787 1.00 0.00 C ATOM 357 O ALA A 23 3.239 -6.729 8.014 1.00 0.00 O ATOM 358 CB ALA A 23 0.871 -4.552 8.550 1.00 0.00 C ATOM 0 H ALA A 23 -0.498 -5.042 6.564 1.00 0.00 H new ATOM 0 HA ALA A 23 2.220 -4.703 6.897 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.660 -4.408 9.288 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.492 -3.581 8.230 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.060 -5.129 8.994 1.00 0.00 H new ATOM 364 N GLU A 24 1.189 -7.650 7.905 1.00 0.00 N ATOM 365 CA GLU A 24 1.642 -8.973 8.317 1.00 0.00 C ATOM 366 C GLU A 24 2.591 -9.571 7.283 1.00 0.00 C ATOM 367 O GLU A 24 3.506 -10.322 7.622 1.00 0.00 O ATOM 368 CB GLU A 24 0.445 -9.904 8.525 1.00 0.00 C ATOM 369 CG GLU A 24 -0.161 -10.415 7.229 1.00 0.00 C ATOM 370 CD GLU A 24 -1.486 -11.121 7.443 1.00 0.00 C ATOM 371 OE1 GLU A 24 -1.906 -11.252 8.612 1.00 0.00 O ATOM 372 OE2 GLU A 24 -2.103 -11.543 6.443 1.00 0.00 O ATOM 0 H GLU A 24 0.188 -7.585 7.721 1.00 0.00 H new ATOM 0 HA GLU A 24 2.180 -8.867 9.259 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.758 -10.755 9.130 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.322 -9.375 9.091 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.306 -9.579 6.545 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.539 -11.100 6.751 1.00 0.00 H new ATOM 379 N THR A 25 2.366 -9.232 6.017 1.00 0.00 N ATOM 380 CA THR A 25 3.199 -9.735 4.932 1.00 0.00 C ATOM 381 C THR A 25 4.553 -9.034 4.907 1.00 0.00 C ATOM 382 O THR A 25 5.598 -9.683 4.877 1.00 0.00 O ATOM 383 CB THR A 25 2.513 -9.550 3.565 1.00 0.00 C ATOM 384 OG1 THR A 25 1.324 -10.346 3.502 1.00 0.00 O ATOM 385 CG2 THR A 25 3.450 -9.940 2.432 1.00 0.00 C ATOM 0 H THR A 25 1.614 -8.611 5.718 1.00 0.00 H new ATOM 0 HA THR A 25 3.347 -10.799 5.115 1.00 0.00 H new ATOM 0 HB THR A 25 2.252 -8.498 3.454 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.893 -10.222 2.631 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.944 -9.801 1.477 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.341 -9.313 2.465 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.738 -10.986 2.541 1.00 0.00 H new ATOM 393 N ALA A 26 4.526 -7.705 4.920 1.00 0.00 N ATOM 394 CA ALA A 26 5.751 -6.916 4.902 1.00 0.00 C ATOM 395 C ALA A 26 6.565 -7.137 6.173 1.00 0.00 C ATOM 396 O ALA A 26 7.786 -6.981 6.173 1.00 0.00 O ATOM 397 CB ALA A 26 5.426 -5.440 4.731 1.00 0.00 C ATOM 0 H ALA A 26 3.669 -7.153 4.943 1.00 0.00 H new ATOM 0 HA ALA A 26 6.353 -7.244 4.055 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.351 -4.863 4.719 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.893 -5.291 3.792 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.801 -5.107 5.559 1.00 0.00 H new ATOM 403 N GLU A 27 5.881 -7.500 7.253 1.00 0.00 N ATOM 404 CA GLU A 27 6.541 -7.740 8.531 1.00 0.00 C ATOM 405 C GLU A 27 7.724 -8.690 8.361 1.00 0.00 C ATOM 406 O GLU A 27 8.862 -8.346 8.681 1.00 0.00 O ATOM 407 CB GLU A 27 5.550 -8.317 9.543 1.00 0.00 C ATOM 408 CG GLU A 27 5.564 -7.604 10.884 1.00 0.00 C ATOM 409 CD GLU A 27 5.252 -8.533 12.042 1.00 0.00 C ATOM 410 OE1 GLU A 27 4.136 -9.094 12.068 1.00 0.00 O ATOM 411 OE2 GLU A 27 6.123 -8.698 12.921 1.00 0.00 O ATOM 0 H GLU A 27 4.870 -7.634 7.269 1.00 0.00 H new ATOM 0 HA GLU A 27 6.913 -6.786 8.904 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.545 -8.265 9.124 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.776 -9.372 9.700 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.543 -7.151 11.040 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.836 -6.793 10.868 1.00 0.00 H new ATOM 418 N LYS A 28 7.445 -9.887 7.857 1.00 0.00 N ATOM 419 CA LYS A 28 8.484 -10.888 7.644 1.00 0.00 C ATOM 420 C LYS A 28 9.665 -10.294 6.884 1.00 0.00 C ATOM 421 O LYS A 28 10.821 -10.594 7.181 1.00 0.00 O ATOM 422 CB LYS A 28 7.918 -12.084 6.874 1.00 0.00 C ATOM 423 CG LYS A 28 7.491 -13.236 7.767 1.00 0.00 C ATOM 424 CD LYS A 28 5.998 -13.203 8.045 1.00 0.00 C ATOM 425 CE LYS A 28 5.398 -14.601 8.034 1.00 0.00 C ATOM 426 NZ LYS A 28 4.633 -14.885 9.280 1.00 0.00 N ATOM 0 H LYS A 28 6.508 -10.188 7.588 1.00 0.00 H new ATOM 0 HA LYS A 28 8.835 -11.224 8.620 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.061 -11.754 6.286 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.670 -12.441 6.170 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.753 -14.182 7.292 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.038 -13.190 8.708 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.817 -12.736 9.013 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.501 -12.587 7.296 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.740 -14.707 7.171 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.194 -15.337 7.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.240 -15.847 9.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.266 -14.808 10.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.858 -14.198 9.376 1.00 0.00 H new ATOM 440 N ALA A 29 9.366 -9.448 5.903 1.00 0.00 N ATOM 441 CA ALA A 29 10.404 -8.809 5.104 1.00 0.00 C ATOM 442 C ALA A 29 11.336 -7.977 5.978 1.00 0.00 C ATOM 443 O ALA A 29 12.559 -8.090 5.882 1.00 0.00 O ATOM 444 CB ALA A 29 9.777 -7.941 4.022 1.00 0.00 C ATOM 0 H ALA A 29 8.414 -9.190 5.643 1.00 0.00 H new ATOM 0 HA ALA A 29 10.996 -9.591 4.630 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.563 -7.470 3.433 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.158 -8.560 3.372 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.160 -7.171 4.485 1.00 0.00 H new ATOM 450 N PHE A 30 10.752 -7.140 6.829 1.00 0.00 N ATOM 451 CA PHE A 30 11.531 -6.288 7.719 1.00 0.00 C ATOM 452 C PHE A 30 12.279 -7.122 8.755 1.00 0.00 C ATOM 453 O PHE A 30 13.425 -6.829 9.096 1.00 0.00 O ATOM 454 CB PHE A 30 10.619 -5.279 8.422 1.00 0.00 C ATOM 455 CG PHE A 30 10.030 -4.256 7.493 1.00 0.00 C ATOM 456 CD1 PHE A 30 10.850 -3.398 6.777 1.00 0.00 C ATOM 457 CD2 PHE A 30 8.658 -4.152 7.337 1.00 0.00 C ATOM 458 CE1 PHE A 30 10.310 -2.455 5.923 1.00 0.00 C ATOM 459 CE2 PHE A 30 8.112 -3.211 6.484 1.00 0.00 C ATOM 460 CZ PHE A 30 8.940 -2.362 5.775 1.00 0.00 C ATOM 0 H PHE A 30 9.742 -7.034 6.921 1.00 0.00 H new ATOM 0 HA PHE A 30 12.262 -5.749 7.116 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.811 -5.816 8.918 1.00 0.00 H new ATOM 0 HB3 PHE A 30 11.187 -4.768 9.200 1.00 0.00 H new ATOM 0 HD1 PHE A 30 11.922 -3.467 6.888 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.007 -4.814 7.888 1.00 0.00 H new ATOM 0 HE1 PHE A 30 10.959 -1.791 5.372 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.040 -3.140 6.372 1.00 0.00 H new ATOM 0 HZ PHE A 30 8.517 -1.627 5.106 1.00 0.00 H new ATOM 470 N LYS A 31 11.621 -8.164 9.254 1.00 0.00 N ATOM 471 CA LYS A 31 12.221 -9.042 10.250 1.00 0.00 C ATOM 472 C LYS A 31 13.421 -9.784 9.670 1.00 0.00 C ATOM 473 O LYS A 31 14.476 -9.863 10.299 1.00 0.00 O ATOM 474 CB LYS A 31 11.187 -10.047 10.763 1.00 0.00 C ATOM 475 CG LYS A 31 10.094 -9.417 11.609 1.00 0.00 C ATOM 476 CD LYS A 31 10.128 -9.931 13.038 1.00 0.00 C ATOM 477 CE LYS A 31 8.811 -10.584 13.427 1.00 0.00 C ATOM 478 NZ LYS A 31 9.016 -11.761 14.315 1.00 0.00 N ATOM 0 H LYS A 31 10.671 -8.420 8.984 1.00 0.00 H new ATOM 0 HA LYS A 31 12.564 -8.426 11.081 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.730 -10.552 9.912 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.696 -10.811 11.351 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.212 -8.333 11.608 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.121 -9.632 11.167 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.939 -10.651 13.147 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.341 -9.106 13.718 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.179 -9.854 13.932 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.281 -10.896 12.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.094 -12.178 14.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.598 -12.469 13.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.499 -11.459 15.185 1.00 0.00 H new ATOM 492 N GLN A 32 13.252 -10.323 8.467 1.00 0.00 N ATOM 493 CA GLN A 32 14.323 -11.057 7.803 1.00 0.00 C ATOM 494 C GLN A 32 15.582 -10.203 7.693 1.00 0.00 C ATOM 495 O GLN A 32 16.674 -10.639 8.059 1.00 0.00 O ATOM 496 CB GLN A 32 13.874 -11.507 6.411 1.00 0.00 C ATOM 497 CG GLN A 32 14.822 -12.499 5.757 1.00 0.00 C ATOM 498 CD GLN A 32 16.066 -11.837 5.198 1.00 0.00 C ATOM 499 OE1 GLN A 32 16.065 -10.643 4.896 1.00 0.00 O ATOM 500 NE2 GLN A 32 17.137 -12.610 5.059 1.00 0.00 N ATOM 0 H GLN A 32 12.385 -10.265 7.933 1.00 0.00 H new ATOM 0 HA GLN A 32 14.554 -11.936 8.405 1.00 0.00 H new ATOM 0 HB2 GLN A 32 12.884 -11.958 6.486 1.00 0.00 H new ATOM 0 HB3 GLN A 32 13.778 -10.632 5.769 1.00 0.00 H new ATOM 0 HG2 GLN A 32 15.114 -13.253 6.488 1.00 0.00 H new ATOM 0 HG3 GLN A 32 14.300 -13.019 4.954 1.00 0.00 H new ATOM 0 HE21 GLN A 32 17.093 -13.595 5.322 1.00 0.00 H new ATOM 0 HE22 GLN A 32 18.004 -12.219 4.689 1.00 0.00 H new ATOM 509 N TYR A 33 15.422 -8.985 7.186 1.00 0.00 N ATOM 510 CA TYR A 33 16.546 -8.071 7.025 1.00 0.00 C ATOM 511 C TYR A 33 17.160 -7.719 8.377 1.00 0.00 C ATOM 512 O TYR A 33 18.326 -7.334 8.460 1.00 0.00 O ATOM 513 CB TYR A 33 16.096 -6.796 6.310 1.00 0.00 C ATOM 514 CG TYR A 33 17.160 -5.724 6.255 1.00 0.00 C ATOM 515 CD1 TYR A 33 17.319 -4.821 7.298 1.00 0.00 C ATOM 516 CD2 TYR A 33 18.007 -5.614 5.159 1.00 0.00 C ATOM 517 CE1 TYR A 33 18.290 -3.839 7.252 1.00 0.00 C ATOM 518 CE2 TYR A 33 18.982 -4.636 5.105 1.00 0.00 C ATOM 519 CZ TYR A 33 19.119 -3.751 6.154 1.00 0.00 C ATOM 520 OH TYR A 33 20.088 -2.775 6.103 1.00 0.00 O ATOM 0 H TYR A 33 14.525 -8.608 6.880 1.00 0.00 H new ATOM 0 HA TYR A 33 17.303 -8.570 6.421 1.00 0.00 H new ATOM 0 HB2 TYR A 33 15.793 -7.047 5.294 1.00 0.00 H new ATOM 0 HB3 TYR A 33 15.216 -6.397 6.816 1.00 0.00 H new ATOM 0 HD1 TYR A 33 16.672 -4.887 8.160 1.00 0.00 H new ATOM 0 HD2 TYR A 33 17.902 -6.305 4.335 1.00 0.00 H new ATOM 0 HE1 TYR A 33 18.399 -3.144 8.072 1.00 0.00 H new ATOM 0 HE2 TYR A 33 19.633 -4.565 4.246 1.00 0.00 H new ATOM 0 HH TYR A 33 20.586 -2.852 5.262 1.00 0.00 H new ATOM 530 N ALA A 34 16.366 -7.856 9.434 1.00 0.00 N ATOM 531 CA ALA A 34 16.830 -7.556 10.782 1.00 0.00 C ATOM 532 C ALA A 34 17.892 -8.553 11.232 1.00 0.00 C ATOM 533 O ALA A 34 18.986 -8.166 11.641 1.00 0.00 O ATOM 534 CB ALA A 34 15.660 -7.553 11.755 1.00 0.00 C ATOM 0 H ALA A 34 15.398 -8.173 9.382 1.00 0.00 H new ATOM 0 HA ALA A 34 17.282 -6.564 10.771 1.00 0.00 H new ATOM 0 HB1 ALA A 34 16.022 -7.327 12.758 1.00 0.00 H new ATOM 0 HB2 ALA A 34 14.936 -6.796 11.452 1.00 0.00 H new ATOM 0 HB3 ALA A 34 15.183 -8.533 11.753 1.00 0.00 H new ATOM 540 N ASN A 35 17.562 -9.838 11.154 1.00 0.00 N ATOM 541 CA ASN A 35 18.487 -10.891 11.555 1.00 0.00 C ATOM 542 C ASN A 35 19.775 -10.822 10.739 1.00 0.00 C ATOM 543 O ASN A 35 20.858 -11.120 11.244 1.00 0.00 O ATOM 544 CB ASN A 35 17.835 -12.264 11.384 1.00 0.00 C ATOM 545 CG ASN A 35 18.854 -13.387 11.343 1.00 0.00 C ATOM 546 OD1 ASN A 35 19.850 -13.363 12.066 1.00 0.00 O ATOM 547 ND2 ASN A 35 18.608 -14.378 10.494 1.00 0.00 N ATOM 0 H ASN A 35 16.660 -10.175 10.817 1.00 0.00 H new ATOM 0 HA ASN A 35 18.734 -10.743 12.606 1.00 0.00 H new ATOM 0 HB2 ASN A 35 17.140 -12.438 12.205 1.00 0.00 H new ATOM 0 HB3 ASN A 35 17.251 -12.274 10.464 1.00 0.00 H new ATOM 0 HD21 ASN A 35 19.258 -15.161 10.422 1.00 0.00 H new ATOM 0 HD22 ASN A 35 17.769 -14.356 9.914 1.00 0.00 H new ATOM 554 N ASP A 36 19.649 -10.428 9.477 1.00 0.00 N ATOM 555 CA ASP A 36 20.802 -10.318 8.591 1.00 0.00 C ATOM 556 C ASP A 36 21.928 -9.534 9.259 1.00 0.00 C ATOM 557 O ASP A 36 23.101 -9.880 9.129 1.00 0.00 O ATOM 558 CB ASP A 36 20.402 -9.643 7.279 1.00 0.00 C ATOM 559 CG ASP A 36 19.623 -10.568 6.366 1.00 0.00 C ATOM 560 OD1 ASP A 36 19.387 -11.729 6.760 1.00 0.00 O ATOM 561 OD2 ASP A 36 19.249 -10.132 5.256 1.00 0.00 O ATOM 0 H ASP A 36 18.760 -10.179 9.044 1.00 0.00 H new ATOM 0 HA ASP A 36 21.162 -11.324 8.377 1.00 0.00 H new ATOM 0 HB2 ASP A 36 19.800 -8.761 7.497 1.00 0.00 H new ATOM 0 HB3 ASP A 36 21.298 -9.298 6.763 1.00 0.00 H new ATOM 566 N ASN A 37 21.561 -8.475 9.973 1.00 0.00 N ATOM 567 CA ASN A 37 22.540 -7.640 10.660 1.00 0.00 C ATOM 568 C ASN A 37 22.452 -7.830 12.171 1.00 0.00 C ATOM 569 O ASN A 37 22.806 -6.938 12.941 1.00 0.00 O ATOM 570 CB ASN A 37 22.322 -6.167 10.306 1.00 0.00 C ATOM 571 CG ASN A 37 22.613 -5.874 8.847 1.00 0.00 C ATOM 572 OD1 ASN A 37 23.736 -5.520 8.485 1.00 0.00 O ATOM 573 ND2 ASN A 37 21.600 -6.020 8.001 1.00 0.00 N ATOM 0 H ASN A 37 20.593 -8.175 10.091 1.00 0.00 H new ATOM 0 HA ASN A 37 23.534 -7.943 10.331 1.00 0.00 H new ATOM 0 HB2 ASN A 37 21.292 -5.891 10.531 1.00 0.00 H new ATOM 0 HB3 ASN A 37 22.962 -5.547 10.933 1.00 0.00 H new ATOM 0 HD21 ASN A 37 21.735 -5.837 7.007 1.00 0.00 H new ATOM 0 HD22 ASN A 37 20.686 -6.315 8.345 1.00 0.00 H new ATOM 580 N GLY A 38 21.976 -8.999 12.589 1.00 0.00 N ATOM 581 CA GLY A 38 21.851 -9.286 14.006 1.00 0.00 C ATOM 582 C GLY A 38 21.118 -8.191 14.756 1.00 0.00 C ATOM 583 O GLY A 38 21.495 -7.834 15.872 1.00 0.00 O ATOM 0 H GLY A 38 21.675 -9.753 11.971 1.00 0.00 H new ATOM 0 HA2 GLY A 38 21.321 -10.230 14.137 1.00 0.00 H new ATOM 0 HA3 GLY A 38 22.844 -9.415 14.437 1.00 0.00 H new ATOM 587 N VAL A 39 20.068 -7.655 14.141 1.00 0.00 N ATOM 588 CA VAL A 39 19.281 -6.594 14.757 1.00 0.00 C ATOM 589 C VAL A 39 18.009 -7.150 15.389 1.00 0.00 C ATOM 590 O VAL A 39 17.117 -7.632 14.691 1.00 0.00 O ATOM 591 CB VAL A 39 18.901 -5.510 13.732 1.00 0.00 C ATOM 592 CG1 VAL A 39 18.257 -4.320 14.427 1.00 0.00 C ATOM 593 CG2 VAL A 39 20.123 -5.076 12.937 1.00 0.00 C ATOM 0 H VAL A 39 19.743 -7.939 13.217 1.00 0.00 H new ATOM 0 HA VAL A 39 19.903 -6.147 15.532 1.00 0.00 H new ATOM 0 HB VAL A 39 18.175 -5.931 13.037 1.00 0.00 H new ATOM 0 HG11 VAL A 39 17.995 -3.564 13.687 1.00 0.00 H new ATOM 0 HG12 VAL A 39 17.356 -4.646 14.947 1.00 0.00 H new ATOM 0 HG13 VAL A 39 18.958 -3.896 15.146 1.00 0.00 H new ATOM 0 HG21 VAL A 39 19.835 -4.309 12.217 1.00 0.00 H new ATOM 0 HG22 VAL A 39 20.874 -4.673 13.616 1.00 0.00 H new ATOM 0 HG23 VAL A 39 20.536 -5.934 12.407 1.00 0.00 H new ATOM 603 N ASP A 40 17.933 -7.077 16.713 1.00 0.00 N ATOM 604 CA ASP A 40 16.769 -7.572 17.439 1.00 0.00 C ATOM 605 C ASP A 40 16.344 -6.584 18.521 1.00 0.00 C ATOM 606 O ASP A 40 17.177 -5.898 19.112 1.00 0.00 O ATOM 607 CB ASP A 40 17.072 -8.933 18.066 1.00 0.00 C ATOM 608 CG ASP A 40 15.816 -9.672 18.482 1.00 0.00 C ATOM 609 OD1 ASP A 40 14.928 -9.862 17.624 1.00 0.00 O ATOM 610 OD2 ASP A 40 15.719 -10.060 19.665 1.00 0.00 O ATOM 0 H ASP A 40 18.663 -6.680 17.305 1.00 0.00 H new ATOM 0 HA ASP A 40 15.949 -7.683 16.729 1.00 0.00 H new ATOM 0 HB2 ASP A 40 17.629 -9.542 17.354 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.713 -8.794 18.936 1.00 0.00 H new ATOM 615 N GLY A 41 15.040 -6.515 18.775 1.00 0.00 N ATOM 616 CA GLY A 41 14.527 -5.608 19.784 1.00 0.00 C ATOM 617 C GLY A 41 13.012 -5.594 19.836 1.00 0.00 C ATOM 618 O GLY A 41 12.371 -6.638 19.718 1.00 0.00 O ATOM 0 H GLY A 41 14.330 -7.072 18.299 1.00 0.00 H new ATOM 0 HA2 GLY A 41 14.918 -5.896 20.760 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.890 -4.600 19.580 1.00 0.00 H new ATOM 622 N VAL A 42 12.438 -4.409 20.014 1.00 0.00 N ATOM 623 CA VAL A 42 10.989 -4.263 20.081 1.00 0.00 C ATOM 624 C VAL A 42 10.420 -3.803 18.744 1.00 0.00 C ATOM 625 O VAL A 42 10.926 -2.861 18.134 1.00 0.00 O ATOM 626 CB VAL A 42 10.576 -3.260 21.175 1.00 0.00 C ATOM 627 CG1 VAL A 42 11.285 -1.929 20.974 1.00 0.00 C ATOM 628 CG2 VAL A 42 9.067 -3.073 21.183 1.00 0.00 C ATOM 0 H VAL A 42 12.955 -3.535 20.115 1.00 0.00 H new ATOM 0 HA VAL A 42 10.583 -5.244 20.326 1.00 0.00 H new ATOM 0 HB VAL A 42 10.875 -3.661 22.143 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.981 -1.233 21.756 1.00 0.00 H new ATOM 0 HG12 VAL A 42 12.363 -2.080 21.022 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.019 -1.519 20.000 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.793 -2.361 21.962 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.742 -2.694 20.214 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.583 -4.030 21.379 1.00 0.00 H new ATOM 638 N TRP A 43 9.365 -4.474 18.295 1.00 0.00 N ATOM 639 CA TRP A 43 8.726 -4.133 17.029 1.00 0.00 C ATOM 640 C TRP A 43 7.455 -3.324 17.261 1.00 0.00 C ATOM 641 O TRP A 43 6.793 -3.470 18.289 1.00 0.00 O ATOM 642 CB TRP A 43 8.401 -5.403 16.240 1.00 0.00 C ATOM 643 CG TRP A 43 9.613 -6.078 15.674 1.00 0.00 C ATOM 644 CD1 TRP A 43 10.458 -6.929 16.328 1.00 0.00 C ATOM 645 CD2 TRP A 43 10.116 -5.957 14.339 1.00 0.00 C ATOM 646 NE1 TRP A 43 11.457 -7.344 15.480 1.00 0.00 N ATOM 647 CE2 TRP A 43 11.269 -6.763 14.254 1.00 0.00 C ATOM 648 CE3 TRP A 43 9.704 -5.249 13.207 1.00 0.00 C ATOM 649 CZ2 TRP A 43 12.012 -6.876 13.082 1.00 0.00 C ATOM 650 CZ3 TRP A 43 10.443 -5.363 12.045 1.00 0.00 C ATOM 651 CH2 TRP A 43 11.586 -6.172 11.989 1.00 0.00 C ATOM 0 H TRP A 43 8.935 -5.256 18.788 1.00 0.00 H new ATOM 0 HA TRP A 43 9.421 -3.523 16.452 1.00 0.00 H new ATOM 0 HB2 TRP A 43 7.876 -6.102 16.891 1.00 0.00 H new ATOM 0 HB3 TRP A 43 7.721 -5.152 15.426 1.00 0.00 H new ATOM 0 HD1 TRP A 43 10.356 -7.231 17.360 1.00 0.00 H new ATOM 0 HE1 TRP A 43 12.215 -7.981 15.724 1.00 0.00 H new ATOM 0 HE3 TRP A 43 8.824 -4.624 13.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 12.894 -7.498 13.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 10.134 -4.819 11.164 1.00 0.00 H new ATOM 0 HH2 TRP A 43 12.141 -6.241 11.065 1.00 0.00 H new ATOM 662 N THR A 44 7.118 -2.471 16.299 1.00 0.00 N ATOM 663 CA THR A 44 5.926 -1.638 16.399 1.00 0.00 C ATOM 664 C THR A 44 5.426 -1.225 15.020 1.00 0.00 C ATOM 665 O THR A 44 6.172 -0.658 14.222 1.00 0.00 O ATOM 666 CB THR A 44 6.194 -0.372 17.235 1.00 0.00 C ATOM 667 OG1 THR A 44 7.520 0.107 16.987 1.00 0.00 O ATOM 668 CG2 THR A 44 6.022 -0.657 18.720 1.00 0.00 C ATOM 0 H THR A 44 7.654 -2.339 15.441 1.00 0.00 H new ATOM 0 HA THR A 44 5.163 -2.238 16.895 1.00 0.00 H new ATOM 0 HB THR A 44 5.472 0.390 16.941 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.682 0.913 17.521 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.216 0.252 19.290 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.003 -0.994 18.910 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.723 -1.434 19.025 1.00 0.00 H new ATOM 676 N TYR A 45 4.158 -1.513 14.745 1.00 0.00 N ATOM 677 CA TYR A 45 3.558 -1.173 13.460 1.00 0.00 C ATOM 678 C TYR A 45 2.211 -0.485 13.653 1.00 0.00 C ATOM 679 O TYR A 45 1.360 -0.960 14.406 1.00 0.00 O ATOM 680 CB TYR A 45 3.384 -2.431 12.607 1.00 0.00 C ATOM 681 CG TYR A 45 1.978 -2.614 12.079 1.00 0.00 C ATOM 682 CD1 TYR A 45 1.521 -1.876 10.995 1.00 0.00 C ATOM 683 CD2 TYR A 45 1.109 -3.526 12.666 1.00 0.00 C ATOM 684 CE1 TYR A 45 0.237 -2.040 10.510 1.00 0.00 C ATOM 685 CE2 TYR A 45 -0.176 -3.697 12.187 1.00 0.00 C ATOM 686 CZ TYR A 45 -0.607 -2.952 11.109 1.00 0.00 C ATOM 687 OH TYR A 45 -1.885 -3.119 10.629 1.00 0.00 O ATOM 0 H TYR A 45 3.526 -1.981 15.395 1.00 0.00 H new ATOM 0 HA TYR A 45 4.227 -0.483 12.946 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.076 -2.389 11.766 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.657 -3.303 13.201 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.180 -1.162 10.523 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.443 -4.111 13.510 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.104 -1.457 9.667 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.839 -4.410 12.654 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.348 -3.799 11.161 1.00 0.00 H new ATOM 697 N ASP A 46 2.024 0.638 12.968 1.00 0.00 N ATOM 698 CA ASP A 46 0.780 1.392 13.061 1.00 0.00 C ATOM 699 C ASP A 46 -0.030 1.267 11.774 1.00 0.00 C ATOM 700 O ASP A 46 0.526 1.044 10.698 1.00 0.00 O ATOM 701 CB ASP A 46 1.072 2.865 13.352 1.00 0.00 C ATOM 702 CG ASP A 46 -0.189 3.667 13.605 1.00 0.00 C ATOM 703 OD1 ASP A 46 -1.026 3.217 14.416 1.00 0.00 O ATOM 704 OD2 ASP A 46 -0.339 4.745 12.993 1.00 0.00 O ATOM 0 H ASP A 46 2.719 1.046 12.342 1.00 0.00 H new ATOM 0 HA ASP A 46 0.193 0.976 13.880 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.726 2.938 14.221 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.612 3.298 12.510 1.00 0.00 H new ATOM 709 N ASP A 47 -1.345 1.410 11.892 1.00 0.00 N ATOM 710 CA ASP A 47 -2.232 1.313 10.739 1.00 0.00 C ATOM 711 C ASP A 47 -2.154 2.575 9.886 1.00 0.00 C ATOM 712 O ASP A 47 -1.801 2.520 8.708 1.00 0.00 O ATOM 713 CB ASP A 47 -3.673 1.078 11.194 1.00 0.00 C ATOM 714 CG ASP A 47 -4.683 1.760 10.294 1.00 0.00 C ATOM 715 OD1 ASP A 47 -4.670 1.490 9.074 1.00 0.00 O ATOM 716 OD2 ASP A 47 -5.488 2.564 10.809 1.00 0.00 O ATOM 0 H ASP A 47 -1.821 1.594 12.775 1.00 0.00 H new ATOM 0 HA ASP A 47 -1.909 0.466 10.134 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.874 0.007 11.215 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.793 1.445 12.213 1.00 0.00 H new ATOM 721 N ALA A 48 -2.488 3.712 10.488 1.00 0.00 N ATOM 722 CA ALA A 48 -2.456 4.988 9.785 1.00 0.00 C ATOM 723 C ALA A 48 -1.101 5.215 9.122 1.00 0.00 C ATOM 724 O ALA A 48 -1.018 5.431 7.913 1.00 0.00 O ATOM 725 CB ALA A 48 -2.775 6.127 10.742 1.00 0.00 C ATOM 0 H ALA A 48 -2.784 3.775 11.462 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.215 4.963 9.003 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.747 7.074 10.203 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.769 5.979 11.165 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.038 6.145 11.545 1.00 0.00 H new ATOM 731 N THR A 49 -0.040 5.165 9.922 1.00 0.00 N ATOM 732 CA THR A 49 1.311 5.368 9.414 1.00 0.00 C ATOM 733 C THR A 49 1.945 4.045 8.997 1.00 0.00 C ATOM 734 O THR A 49 1.501 2.974 9.411 1.00 0.00 O ATOM 735 CB THR A 49 2.210 6.047 10.464 1.00 0.00 C ATOM 736 OG1 THR A 49 1.482 7.080 11.137 1.00 0.00 O ATOM 737 CG2 THR A 49 3.452 6.636 9.812 1.00 0.00 C ATOM 0 H THR A 49 -0.091 4.986 10.925 1.00 0.00 H new ATOM 0 HA THR A 49 1.228 6.019 8.544 1.00 0.00 H new ATOM 0 HB THR A 49 2.521 5.293 11.187 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.060 7.506 11.804 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.072 7.110 10.573 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.019 5.842 9.325 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.156 7.378 9.070 1.00 0.00 H new ATOM 745 N LYS A 50 2.986 4.127 8.176 1.00 0.00 N ATOM 746 CA LYS A 50 3.684 2.937 7.704 1.00 0.00 C ATOM 747 C LYS A 50 5.185 3.053 7.950 1.00 0.00 C ATOM 748 O LYS A 50 5.995 2.630 7.125 1.00 0.00 O ATOM 749 CB LYS A 50 3.416 2.721 6.213 1.00 0.00 C ATOM 750 CG LYS A 50 1.943 2.575 5.875 1.00 0.00 C ATOM 751 CD LYS A 50 1.395 3.830 5.216 1.00 0.00 C ATOM 752 CE LYS A 50 1.083 3.596 3.746 1.00 0.00 C ATOM 753 NZ LYS A 50 2.318 3.573 2.914 1.00 0.00 N ATOM 0 H LYS A 50 3.365 5.006 7.823 1.00 0.00 H new ATOM 0 HA LYS A 50 3.307 2.080 8.262 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.827 3.561 5.653 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.946 1.828 5.883 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.804 1.723 5.209 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.379 2.364 6.784 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.491 4.150 5.735 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.120 4.638 5.311 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.552 2.651 3.633 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.417 4.381 3.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.074 3.311 1.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.758 4.515 2.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.986 2.877 3.303 1.00 0.00 H new ATOM 767 N THR A 51 5.551 3.628 9.092 1.00 0.00 N ATOM 768 CA THR A 51 6.954 3.799 9.446 1.00 0.00 C ATOM 769 C THR A 51 7.301 3.019 10.709 1.00 0.00 C ATOM 770 O THR A 51 6.928 3.410 11.815 1.00 0.00 O ATOM 771 CB THR A 51 7.302 5.284 9.663 1.00 0.00 C ATOM 772 OG1 THR A 51 7.242 5.988 8.417 1.00 0.00 O ATOM 773 CG2 THR A 51 8.689 5.433 10.269 1.00 0.00 C ATOM 0 H THR A 51 4.894 3.983 9.787 1.00 0.00 H new ATOM 0 HA THR A 51 7.540 3.414 8.611 1.00 0.00 H new ATOM 0 HB THR A 51 6.574 5.707 10.355 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.463 6.932 8.563 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.912 6.490 10.413 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.723 4.921 11.231 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.428 4.994 9.598 1.00 0.00 H new ATOM 781 N PHE A 52 8.019 1.913 10.537 1.00 0.00 N ATOM 782 CA PHE A 52 8.416 1.077 11.663 1.00 0.00 C ATOM 783 C PHE A 52 9.860 1.360 12.068 1.00 0.00 C ATOM 784 O PHE A 52 10.663 1.832 11.261 1.00 0.00 O ATOM 785 CB PHE A 52 8.255 -0.403 11.309 1.00 0.00 C ATOM 786 CG PHE A 52 6.978 -0.708 10.579 1.00 0.00 C ATOM 787 CD1 PHE A 52 5.797 -0.074 10.927 1.00 0.00 C ATOM 788 CD2 PHE A 52 6.961 -1.629 9.544 1.00 0.00 C ATOM 789 CE1 PHE A 52 4.621 -0.355 10.257 1.00 0.00 C ATOM 790 CE2 PHE A 52 5.788 -1.913 8.870 1.00 0.00 C ATOM 791 CZ PHE A 52 4.617 -1.274 9.226 1.00 0.00 C ATOM 0 H PHE A 52 8.337 1.576 9.628 1.00 0.00 H new ATOM 0 HA PHE A 52 7.767 1.315 12.506 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.099 -0.716 10.694 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.291 -0.994 12.224 1.00 0.00 H new ATOM 0 HD1 PHE A 52 5.795 0.648 11.730 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.874 -2.131 9.261 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.706 0.144 10.540 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.788 -2.634 8.066 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.700 -1.492 8.699 1.00 0.00 H new ATOM 801 N THR A 53 10.184 1.070 13.324 1.00 0.00 N ATOM 802 CA THR A 53 11.530 1.294 13.837 1.00 0.00 C ATOM 803 C THR A 53 12.041 0.072 14.592 1.00 0.00 C ATOM 804 O THR A 53 11.323 -0.517 15.399 1.00 0.00 O ATOM 805 CB THR A 53 11.578 2.517 14.772 1.00 0.00 C ATOM 806 OG1 THR A 53 11.104 3.680 14.083 1.00 0.00 O ATOM 807 CG2 THR A 53 12.993 2.761 15.273 1.00 0.00 C ATOM 0 H THR A 53 9.533 0.679 14.005 1.00 0.00 H new ATOM 0 HA THR A 53 12.170 1.479 12.975 1.00 0.00 H new ATOM 0 HB THR A 53 10.936 2.316 15.629 1.00 0.00 H new ATOM 0 HG1 THR A 53 11.136 4.453 14.685 1.00 0.00 H new ATOM 0 HG21 THR A 53 13.001 3.630 15.931 1.00 0.00 H new ATOM 0 HG22 THR A 53 13.340 1.886 15.822 1.00 0.00 H new ATOM 0 HG23 THR A 53 13.653 2.942 14.425 1.00 0.00 H new ATOM 815 N VAL A 54 13.288 -0.304 14.323 1.00 0.00 N ATOM 816 CA VAL A 54 13.896 -1.456 14.978 1.00 0.00 C ATOM 817 C VAL A 54 15.114 -1.042 15.798 1.00 0.00 C ATOM 818 O VAL A 54 16.088 -0.514 15.260 1.00 0.00 O ATOM 819 CB VAL A 54 14.320 -2.525 13.954 1.00 0.00 C ATOM 820 CG1 VAL A 54 15.065 -3.659 14.642 1.00 0.00 C ATOM 821 CG2 VAL A 54 13.107 -3.052 13.202 1.00 0.00 C ATOM 0 H VAL A 54 13.896 0.172 13.657 1.00 0.00 H new ATOM 0 HA VAL A 54 13.141 -1.878 15.641 1.00 0.00 H new ATOM 0 HB VAL A 54 14.995 -2.065 13.233 1.00 0.00 H new ATOM 0 HG11 VAL A 54 15.356 -4.405 13.902 1.00 0.00 H new ATOM 0 HG12 VAL A 54 15.956 -3.265 15.131 1.00 0.00 H new ATOM 0 HG13 VAL A 54 14.417 -4.121 15.387 1.00 0.00 H new ATOM 0 HG21 VAL A 54 13.425 -3.807 12.482 1.00 0.00 H new ATOM 0 HG22 VAL A 54 12.406 -3.497 13.908 1.00 0.00 H new ATOM 0 HG23 VAL A 54 12.620 -2.231 12.676 1.00 0.00 H new ATOM 831 N THR A 55 15.053 -1.286 17.103 1.00 0.00 N ATOM 832 CA THR A 55 16.149 -0.939 17.998 1.00 0.00 C ATOM 833 C THR A 55 16.827 -2.189 18.547 1.00 0.00 C ATOM 834 O THR A 55 16.337 -3.303 18.365 1.00 0.00 O ATOM 835 CB THR A 55 15.661 -0.074 19.175 1.00 0.00 C ATOM 836 OG1 THR A 55 14.948 -0.884 20.116 1.00 0.00 O ATOM 837 CG2 THR A 55 14.764 1.052 18.684 1.00 0.00 C ATOM 0 H THR A 55 14.255 -1.723 17.564 1.00 0.00 H new ATOM 0 HA THR A 55 16.868 -0.367 17.411 1.00 0.00 H new ATOM 0 HB THR A 55 16.533 0.364 19.661 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.643 -0.327 20.862 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.432 1.649 19.533 1.00 0.00 H new ATOM 0 HG22 THR A 55 15.320 1.684 17.991 1.00 0.00 H new ATOM 0 HG23 THR A 55 13.897 0.631 18.175 1.00 0.00 H new ATOM 845 N GLU A 56 17.957 -1.996 19.221 1.00 0.00 N ATOM 846 CA GLU A 56 18.702 -3.110 19.797 1.00 0.00 C ATOM 847 C GLU A 56 18.316 -3.325 21.257 1.00 0.00 C ATOM 848 O GLU A 56 18.542 -4.412 21.786 1.00 0.00 O ATOM 849 CB GLU A 56 20.207 -2.856 19.688 1.00 0.00 C ATOM 850 CG GLU A 56 20.762 -3.076 18.291 1.00 0.00 C ATOM 851 CD GLU A 56 20.720 -4.532 17.869 1.00 0.00 C ATOM 852 OE1 GLU A 56 19.624 -5.018 17.520 1.00 0.00 O ATOM 853 OE2 GLU A 56 21.784 -5.186 17.889 1.00 0.00 O ATOM 0 H GLU A 56 18.376 -1.080 19.381 1.00 0.00 H new ATOM 0 HA GLU A 56 18.451 -4.010 19.236 1.00 0.00 H new ATOM 0 HB2 GLU A 56 20.417 -1.832 19.996 1.00 0.00 H new ATOM 0 HB3 GLU A 56 20.729 -3.512 20.385 1.00 0.00 H new ATOM 0 HG2 GLU A 56 20.192 -2.479 17.579 1.00 0.00 H new ATOM 0 HG3 GLU A 56 21.792 -2.720 18.253 1.00 0.00 H new