USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 420 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 -168:sc= -0.134 (180deg=-0.255) USER MOD Single : A 1 MET N :NH3+ -179:sc= 1.63 (180deg=1.63) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 30:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc=0.000247 X(o=0.00025,f=-0.052) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 25:sc= 1.16 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc=-0.00839 X(o=-0.0084,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.841 X(o=-0.84,f=-0.83) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 177:sc= 1.23 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 162:sc= 0.633 (180deg=0.52) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0111 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.460 0.700 1.999 1.00 0.00 N ATOM 2 CA MET A 1 -16.193 -0.206 0.874 1.00 0.00 C ATOM 3 C MET A 1 -15.572 -1.501 1.361 1.00 0.00 C ATOM 4 O MET A 1 -16.209 -2.546 1.196 1.00 0.00 O ATOM 5 CB MET A 1 -15.371 0.481 -0.218 1.00 0.00 C ATOM 6 CG MET A 1 -14.984 -0.461 -1.359 1.00 0.00 C ATOM 7 SD MET A 1 -14.458 0.401 -2.855 1.00 0.00 S ATOM 8 CE MET A 1 -16.040 1.056 -3.442 1.00 0.00 C ATOM 0 H1 MET A 1 -16.900 1.573 1.645 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.103 0.237 2.673 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.566 0.933 2.477 1.00 0.00 H new ATOM 0 HA MET A 1 -17.144 -0.469 0.410 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.942 1.317 -0.623 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.466 0.897 0.224 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.179 -1.114 -1.023 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.835 -1.100 -1.597 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.924 1.429 -4.460 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.789 0.264 -3.429 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.361 1.870 -2.792 1.00 0.00 H new ATOM 18 N GLY A 2 -14.352 -1.479 1.906 1.00 0.00 N ATOM 19 CA GLY A 2 -13.694 -2.673 2.396 1.00 0.00 C ATOM 20 C GLY A 2 -12.469 -2.270 3.196 1.00 0.00 C ATOM 21 O GLY A 2 -12.230 -1.080 3.435 1.00 0.00 O ATOM 0 H GLY A 2 -13.801 -0.628 2.016 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.377 -3.250 3.019 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.405 -3.313 1.562 1.00 0.00 H new ATOM 25 N THR A 3 -11.722 -3.277 3.625 1.00 0.00 N ATOM 26 CA THR A 3 -10.487 -3.150 4.371 1.00 0.00 C ATOM 27 C THR A 3 -9.408 -3.596 3.380 1.00 0.00 C ATOM 28 O THR A 3 -9.644 -4.472 2.540 1.00 0.00 O ATOM 29 CB THR A 3 -10.562 -3.880 5.722 1.00 0.00 C ATOM 30 OG1 THR A 3 -9.288 -3.949 6.323 1.00 0.00 O ATOM 31 CG2 THR A 3 -11.135 -5.293 5.626 1.00 0.00 C ATOM 0 H THR A 3 -11.976 -4.250 3.452 1.00 0.00 H new ATOM 0 HA THR A 3 -10.254 -2.139 4.706 1.00 0.00 H new ATOM 0 HB THR A 3 -11.245 -3.289 6.332 1.00 0.00 H new ATOM 0 HG1 THR A 3 -9.356 -4.415 7.182 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.157 -5.745 6.618 1.00 0.00 H new ATOM 0 HG22 THR A 3 -12.148 -5.249 5.225 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.510 -5.895 4.967 1.00 0.00 H new ATOM 39 N TYR A 4 -8.247 -2.948 3.428 1.00 0.00 N ATOM 40 CA TYR A 4 -7.139 -3.204 2.530 1.00 0.00 C ATOM 41 C TYR A 4 -5.827 -3.285 3.299 1.00 0.00 C ATOM 42 O TYR A 4 -5.750 -2.743 4.408 1.00 0.00 O ATOM 43 CB TYR A 4 -7.089 -2.058 1.491 1.00 0.00 C ATOM 44 CG TYR A 4 -8.345 -1.725 0.677 1.00 0.00 C ATOM 45 CD1 TYR A 4 -8.323 -1.843 -0.730 1.00 0.00 C ATOM 46 CD2 TYR A 4 -9.507 -1.197 1.288 1.00 0.00 C ATOM 47 CE1 TYR A 4 -9.427 -1.442 -1.504 1.00 0.00 C ATOM 48 CE2 TYR A 4 -10.616 -0.817 0.524 1.00 0.00 C ATOM 49 CZ TYR A 4 -10.568 -0.910 -0.878 1.00 0.00 C ATOM 50 OH TYR A 4 -11.579 -0.410 -1.629 1.00 0.00 O ATOM 0 H TYR A 4 -8.052 -2.215 4.110 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.282 -4.161 2.028 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.791 -1.152 2.018 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.293 -2.292 0.784 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -7.448 -2.246 -1.218 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.538 -1.085 2.362 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -9.398 -1.543 -2.579 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.508 -0.452 1.011 1.00 0.00 H new ATOM 0 HH TYR A 4 -11.616 -0.885 -2.486 1.00 0.00 H new ATOM 60 N LYS A 5 -4.788 -3.899 2.709 1.00 0.00 N ATOM 61 CA LYS A 5 -3.471 -4.030 3.358 1.00 0.00 C ATOM 62 C LYS A 5 -2.368 -3.449 2.458 1.00 0.00 C ATOM 63 O LYS A 5 -2.278 -3.804 1.291 1.00 0.00 O ATOM 64 CB LYS A 5 -3.301 -5.504 3.760 1.00 0.00 C ATOM 65 CG LYS A 5 -2.170 -5.772 4.764 1.00 0.00 C ATOM 66 CD LYS A 5 -2.490 -7.043 5.564 1.00 0.00 C ATOM 67 CE LYS A 5 -1.276 -7.540 6.355 1.00 0.00 C ATOM 68 NZ LYS A 5 -1.603 -8.750 7.137 1.00 0.00 N ATOM 0 H LYS A 5 -4.835 -4.315 1.779 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.393 -3.441 4.272 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.239 -5.860 4.187 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.117 -6.092 2.861 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.222 -5.889 4.239 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.058 -4.923 5.438 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.313 -6.843 6.250 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.825 -7.826 4.883 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.457 -7.758 5.669 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.930 -6.754 7.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.761 -9.062 7.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.368 -8.534 7.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.910 -9.507 6.493 1.00 0.00 H new ATOM 82 N LEU A 6 -1.542 -2.516 2.937 1.00 0.00 N ATOM 83 CA LEU A 6 -0.470 -1.876 2.161 1.00 0.00 C ATOM 84 C LEU A 6 0.897 -2.115 2.813 1.00 0.00 C ATOM 85 O LEU A 6 1.178 -1.552 3.864 1.00 0.00 O ATOM 86 CB LEU A 6 -0.820 -0.382 1.977 1.00 0.00 C ATOM 87 CG LEU A 6 -0.374 0.201 0.627 1.00 0.00 C ATOM 88 CD1 LEU A 6 -1.041 1.548 0.365 1.00 0.00 C ATOM 89 CD2 LEU A 6 1.136 0.387 0.534 1.00 0.00 C ATOM 0 H LEU A 6 -1.599 -2.175 3.897 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.394 -2.322 1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.898 -0.257 2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.356 0.191 2.780 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.680 -0.527 -0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.708 1.938 -0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.123 1.421 0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.769 2.248 1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.392 0.802 -0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.467 1.069 1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.630 -0.577 0.660 1.00 0.00 H new ATOM 101 N ILE A 7 1.753 -2.932 2.202 1.00 0.00 N ATOM 102 CA ILE A 7 3.101 -3.307 2.650 1.00 0.00 C ATOM 103 C ILE A 7 4.157 -2.937 1.602 1.00 0.00 C ATOM 104 O ILE A 7 3.987 -3.146 0.398 1.00 0.00 O ATOM 105 CB ILE A 7 3.137 -4.806 3.064 1.00 0.00 C ATOM 106 CG1 ILE A 7 4.581 -5.264 3.386 1.00 0.00 C ATOM 107 CG2 ILE A 7 2.489 -5.742 2.021 1.00 0.00 C ATOM 108 CD1 ILE A 7 4.678 -6.630 4.082 1.00 0.00 C ATOM 0 H ILE A 7 1.510 -3.383 1.320 1.00 0.00 H new ATOM 0 HA ILE A 7 3.354 -2.731 3.540 1.00 0.00 H new ATOM 0 HB ILE A 7 2.534 -4.882 3.969 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.151 -5.302 2.458 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.053 -4.514 4.020 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.547 -6.773 2.371 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.444 -5.464 1.883 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.017 -5.651 1.072 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.725 -6.870 4.269 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.139 -6.595 5.029 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.239 -7.396 3.443 1.00 0.00 H new ATOM 120 N LEU A 8 5.221 -2.294 2.082 1.00 0.00 N ATOM 121 CA LEU A 8 6.373 -1.824 1.338 1.00 0.00 C ATOM 122 C LEU A 8 7.609 -2.524 1.880 1.00 0.00 C ATOM 123 O LEU A 8 7.857 -2.478 3.090 1.00 0.00 O ATOM 124 CB LEU A 8 6.536 -0.309 1.508 1.00 0.00 C ATOM 125 CG LEU A 8 5.385 0.609 1.063 1.00 0.00 C ATOM 126 CD1 LEU A 8 4.917 0.281 -0.360 1.00 0.00 C ATOM 127 CD2 LEU A 8 4.208 0.640 2.037 1.00 0.00 C ATOM 0 H LEU A 8 5.299 -2.075 3.075 1.00 0.00 H new ATOM 0 HA LEU A 8 6.238 -2.044 0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.727 -0.113 2.563 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.430 -0.009 0.961 1.00 0.00 H new ATOM 0 HG LEU A 8 5.802 1.616 1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.103 0.950 -0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.747 0.410 -1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.568 -0.751 -0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.437 1.309 1.655 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.797 -0.364 2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.549 0.998 3.009 1.00 0.00 H new ATOM 139 N ASN A 9 8.415 -3.107 1.000 1.00 0.00 N ATOM 140 CA ASN A 9 9.633 -3.823 1.365 1.00 0.00 C ATOM 141 C ASN A 9 10.812 -3.137 0.688 1.00 0.00 C ATOM 142 O ASN A 9 11.168 -3.471 -0.445 1.00 0.00 O ATOM 143 CB ASN A 9 9.559 -5.306 0.979 1.00 0.00 C ATOM 144 CG ASN A 9 8.453 -6.058 1.696 1.00 0.00 C ATOM 145 OD1 ASN A 9 8.607 -6.473 2.844 1.00 0.00 O ATOM 146 ND2 ASN A 9 7.336 -6.270 1.020 1.00 0.00 N ATOM 0 H ASN A 9 8.238 -3.096 -0.004 1.00 0.00 H new ATOM 0 HA ASN A 9 9.757 -3.794 2.447 1.00 0.00 H new ATOM 0 HB2 ASN A 9 9.406 -5.387 -0.097 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.515 -5.780 1.201 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.571 -6.791 1.449 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.239 -5.913 0.070 1.00 0.00 H new ATOM 153 N GLY A 10 11.371 -2.132 1.355 1.00 0.00 N ATOM 154 CA GLY A 10 12.505 -1.353 0.892 1.00 0.00 C ATOM 155 C GLY A 10 13.815 -2.113 1.060 1.00 0.00 C ATOM 156 O GLY A 10 13.853 -3.213 1.622 1.00 0.00 O ATOM 0 H GLY A 10 11.030 -1.830 2.268 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.366 -1.095 -0.158 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.554 -0.416 1.447 1.00 0.00 H new ATOM 160 N LYS A 11 14.915 -1.493 0.632 1.00 0.00 N ATOM 161 CA LYS A 11 16.264 -2.059 0.715 1.00 0.00 C ATOM 162 C LYS A 11 16.612 -2.409 2.166 1.00 0.00 C ATOM 163 O LYS A 11 17.118 -3.495 2.453 1.00 0.00 O ATOM 164 CB LYS A 11 17.196 -0.991 0.124 1.00 0.00 C ATOM 165 CG LYS A 11 18.657 -1.373 -0.115 1.00 0.00 C ATOM 166 CD LYS A 11 19.371 -0.131 -0.677 1.00 0.00 C ATOM 167 CE LYS A 11 20.711 -0.477 -1.325 1.00 0.00 C ATOM 168 NZ LYS A 11 21.356 0.717 -1.916 1.00 0.00 N ATOM 0 H LYS A 11 14.894 -0.565 0.209 1.00 0.00 H new ATOM 0 HA LYS A 11 16.359 -2.993 0.162 1.00 0.00 H new ATOM 0 HB2 LYS A 11 16.774 -0.668 -0.828 1.00 0.00 H new ATOM 0 HB3 LYS A 11 17.180 -0.128 0.789 1.00 0.00 H new ATOM 0 HG2 LYS A 11 19.126 -1.698 0.814 1.00 0.00 H new ATOM 0 HG3 LYS A 11 18.727 -2.205 -0.815 1.00 0.00 H new ATOM 0 HD2 LYS A 11 18.728 0.353 -1.412 1.00 0.00 H new ATOM 0 HD3 LYS A 11 19.533 0.587 0.127 1.00 0.00 H new ATOM 0 HE2 LYS A 11 21.373 -0.917 -0.579 1.00 0.00 H new ATOM 0 HE3 LYS A 11 20.558 -1.229 -2.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 22.263 0.444 -2.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 20.735 1.122 -2.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 21.525 1.424 -1.172 1.00 0.00 H new ATOM 182 N THR A 12 16.408 -1.463 3.082 1.00 0.00 N ATOM 183 CA THR A 12 16.648 -1.643 4.515 1.00 0.00 C ATOM 184 C THR A 12 15.409 -1.341 5.371 1.00 0.00 C ATOM 185 O THR A 12 15.370 -1.698 6.549 1.00 0.00 O ATOM 186 CB THR A 12 17.864 -0.785 4.900 1.00 0.00 C ATOM 187 OG1 THR A 12 18.466 -1.165 6.125 1.00 0.00 O ATOM 188 CG2 THR A 12 17.474 0.693 5.004 1.00 0.00 C ATOM 0 H THR A 12 16.065 -0.532 2.845 1.00 0.00 H new ATOM 0 HA THR A 12 16.863 -2.692 4.719 1.00 0.00 H new ATOM 0 HB THR A 12 18.590 -0.947 4.103 1.00 0.00 H new ATOM 0 HG1 THR A 12 19.232 -0.581 6.308 1.00 0.00 H new ATOM 0 HG21 THR A 12 18.349 1.282 5.277 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.091 1.037 4.043 1.00 0.00 H new ATOM 0 HG23 THR A 12 16.704 0.813 5.766 1.00 0.00 H new ATOM 196 N LEU A 13 14.420 -0.631 4.817 1.00 0.00 N ATOM 197 CA LEU A 13 13.221 -0.194 5.518 1.00 0.00 C ATOM 198 C LEU A 13 11.960 -0.937 5.114 1.00 0.00 C ATOM 199 O LEU A 13 11.632 -1.012 3.929 1.00 0.00 O ATOM 200 CB LEU A 13 13.067 1.298 5.190 1.00 0.00 C ATOM 201 CG LEU A 13 12.024 2.059 6.020 1.00 0.00 C ATOM 202 CD1 LEU A 13 12.505 2.273 7.457 1.00 0.00 C ATOM 203 CD2 LEU A 13 11.795 3.424 5.374 1.00 0.00 C ATOM 0 H LEU A 13 14.438 -0.339 3.840 1.00 0.00 H new ATOM 0 HA LEU A 13 13.340 -0.396 6.583 1.00 0.00 H new ATOM 0 HB2 LEU A 13 14.034 1.782 5.324 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.806 1.394 4.136 1.00 0.00 H new ATOM 0 HG LEU A 13 11.105 1.473 6.047 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.744 2.815 8.019 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.685 1.307 7.928 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.430 2.850 7.449 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.056 3.980 5.951 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.733 3.979 5.355 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.433 3.288 4.355 1.00 0.00 H new ATOM 215 N LYS A 14 11.246 -1.456 6.108 1.00 0.00 N ATOM 216 CA LYS A 14 9.992 -2.184 5.929 1.00 0.00 C ATOM 217 C LYS A 14 8.872 -1.372 6.584 1.00 0.00 C ATOM 218 O LYS A 14 9.126 -0.573 7.497 1.00 0.00 O ATOM 219 CB LYS A 14 10.097 -3.609 6.502 1.00 0.00 C ATOM 220 CG LYS A 14 9.160 -4.572 5.748 1.00 0.00 C ATOM 221 CD LYS A 14 8.908 -5.901 6.469 1.00 0.00 C ATOM 222 CE LYS A 14 10.203 -6.659 6.776 1.00 0.00 C ATOM 223 NZ LYS A 14 9.939 -8.054 7.185 1.00 0.00 N ATOM 0 H LYS A 14 11.529 -1.381 7.085 1.00 0.00 H new ATOM 0 HA LYS A 14 9.768 -2.303 4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.126 -3.961 6.426 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.840 -3.600 7.561 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.204 -4.075 5.583 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.585 -4.780 4.766 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.374 -5.710 7.400 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.262 -6.527 5.854 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.845 -6.654 5.895 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.746 -6.144 7.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.840 -8.534 7.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.348 -8.059 8.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.443 -8.553 6.419 1.00 0.00 H new ATOM 237 N GLY A 15 7.635 -1.606 6.161 1.00 0.00 N ATOM 238 CA GLY A 15 6.446 -0.949 6.665 1.00 0.00 C ATOM 239 C GLY A 15 5.244 -1.698 6.119 1.00 0.00 C ATOM 240 O GLY A 15 5.267 -2.096 4.954 1.00 0.00 O ATOM 0 H GLY A 15 7.430 -2.286 5.429 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.438 -0.954 7.755 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.422 0.095 6.351 1.00 0.00 H new ATOM 244 N GLU A 16 4.224 -1.936 6.938 1.00 0.00 N ATOM 245 CA GLU A 16 3.011 -2.637 6.555 1.00 0.00 C ATOM 246 C GLU A 16 1.837 -2.035 7.315 1.00 0.00 C ATOM 247 O GLU A 16 1.866 -1.945 8.543 1.00 0.00 O ATOM 248 CB GLU A 16 3.141 -4.155 6.785 1.00 0.00 C ATOM 249 CG GLU A 16 3.624 -4.614 8.177 1.00 0.00 C ATOM 250 CD GLU A 16 2.825 -5.823 8.662 1.00 0.00 C ATOM 251 OE1 GLU A 16 3.158 -6.974 8.306 1.00 0.00 O ATOM 252 OE2 GLU A 16 1.785 -5.612 9.337 1.00 0.00 O ATOM 0 H GLU A 16 4.222 -1.637 7.913 1.00 0.00 H new ATOM 0 HA GLU A 16 2.837 -2.511 5.486 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.169 -4.611 6.597 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.829 -4.553 6.039 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.683 -4.867 8.133 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.521 -3.796 8.890 1.00 0.00 H new ATOM 259 N THR A 17 0.776 -1.651 6.607 1.00 0.00 N ATOM 260 CA THR A 17 -0.402 -1.055 7.239 1.00 0.00 C ATOM 261 C THR A 17 -1.672 -1.683 6.678 1.00 0.00 C ATOM 262 O THR A 17 -1.647 -2.404 5.679 1.00 0.00 O ATOM 263 CB THR A 17 -0.338 0.477 7.072 1.00 0.00 C ATOM 264 OG1 THR A 17 -1.231 1.156 7.931 1.00 0.00 O ATOM 265 CG2 THR A 17 -0.642 0.937 5.643 1.00 0.00 C ATOM 0 H THR A 17 0.707 -1.742 5.593 1.00 0.00 H new ATOM 0 HA THR A 17 -0.417 -1.260 8.309 1.00 0.00 H new ATOM 0 HB THR A 17 0.691 0.728 7.328 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.151 2.122 7.788 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.581 2.024 5.590 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.084 0.499 4.958 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.645 0.616 5.363 1.00 0.00 H new ATOM 273 N THR A 18 -2.798 -1.421 7.322 1.00 0.00 N ATOM 274 CA THR A 18 -4.110 -1.891 6.935 1.00 0.00 C ATOM 275 C THR A 18 -5.080 -0.777 7.308 1.00 0.00 C ATOM 276 O THR A 18 -4.891 -0.114 8.335 1.00 0.00 O ATOM 277 CB THR A 18 -4.414 -3.277 7.535 1.00 0.00 C ATOM 278 OG1 THR A 18 -5.590 -3.810 6.965 1.00 0.00 O ATOM 279 CG2 THR A 18 -4.564 -3.284 9.060 1.00 0.00 C ATOM 0 H THR A 18 -2.819 -0.849 8.166 1.00 0.00 H new ATOM 0 HA THR A 18 -4.197 -2.077 5.864 1.00 0.00 H new ATOM 0 HB THR A 18 -3.545 -3.890 7.296 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.733 -3.414 6.080 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.777 -4.298 9.400 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.639 -2.934 9.518 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.383 -2.625 9.348 1.00 0.00 H new ATOM 287 N THR A 19 -6.082 -0.531 6.466 1.00 0.00 N ATOM 288 CA THR A 19 -7.060 0.520 6.693 1.00 0.00 C ATOM 289 C THR A 19 -8.413 0.131 6.103 1.00 0.00 C ATOM 290 O THR A 19 -8.497 -0.723 5.218 1.00 0.00 O ATOM 291 CB THR A 19 -6.567 1.819 6.013 1.00 0.00 C ATOM 292 OG1 THR A 19 -6.150 1.560 4.681 1.00 0.00 O ATOM 293 CG2 THR A 19 -5.419 2.522 6.734 1.00 0.00 C ATOM 0 H THR A 19 -6.235 -1.059 5.607 1.00 0.00 H new ATOM 0 HA THR A 19 -7.175 0.671 7.766 1.00 0.00 H new ATOM 0 HB THR A 19 -7.429 2.485 6.045 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.843 2.393 4.266 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.141 3.422 6.185 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.734 2.795 7.741 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.561 1.852 6.791 1.00 0.00 H new ATOM 301 N GLU A 20 -9.474 0.800 6.539 1.00 0.00 N ATOM 302 CA GLU A 20 -10.855 0.647 6.110 1.00 0.00 C ATOM 303 C GLU A 20 -11.272 2.018 5.580 1.00 0.00 C ATOM 304 O GLU A 20 -11.000 3.024 6.238 1.00 0.00 O ATOM 305 CB GLU A 20 -11.723 0.199 7.296 1.00 0.00 C ATOM 306 CG GLU A 20 -13.224 0.308 6.984 1.00 0.00 C ATOM 307 CD GLU A 20 -14.073 -0.180 8.155 1.00 0.00 C ATOM 308 OE1 GLU A 20 -14.206 0.569 9.154 1.00 0.00 O ATOM 309 OE2 GLU A 20 -14.644 -1.288 8.043 1.00 0.00 O ATOM 0 H GLU A 20 -9.381 1.518 7.257 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.975 -0.114 5.339 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.480 -0.832 7.554 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.489 0.810 8.168 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.476 1.344 6.757 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.456 -0.279 6.095 1.00 0.00 H new ATOM 316 N ALA A 21 -11.908 2.083 4.410 1.00 0.00 N ATOM 317 CA ALA A 21 -12.350 3.341 3.828 1.00 0.00 C ATOM 318 C ALA A 21 -13.723 3.177 3.185 1.00 0.00 C ATOM 319 O ALA A 21 -14.131 2.079 2.794 1.00 0.00 O ATOM 320 CB ALA A 21 -11.306 3.857 2.831 1.00 0.00 C ATOM 0 H ALA A 21 -12.129 1.264 3.843 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.449 4.087 4.617 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.647 4.799 2.402 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.358 4.015 3.346 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.169 3.124 2.036 1.00 0.00 H new ATOM 326 N VAL A 22 -14.425 4.303 3.075 1.00 0.00 N ATOM 327 CA VAL A 22 -15.760 4.405 2.507 1.00 0.00 C ATOM 328 C VAL A 22 -15.783 4.009 1.031 1.00 0.00 C ATOM 329 O VAL A 22 -16.655 3.230 0.650 1.00 0.00 O ATOM 330 CB VAL A 22 -16.344 5.812 2.757 1.00 0.00 C ATOM 331 CG1 VAL A 22 -16.756 5.924 4.229 1.00 0.00 C ATOM 332 CG2 VAL A 22 -15.395 6.977 2.412 1.00 0.00 C ATOM 0 H VAL A 22 -14.062 5.202 3.392 1.00 0.00 H new ATOM 0 HA VAL A 22 -16.405 3.689 3.015 1.00 0.00 H new ATOM 0 HB VAL A 22 -17.195 5.909 2.083 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -17.170 6.915 4.417 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -17.508 5.168 4.455 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -15.884 5.769 4.864 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.892 7.925 2.620 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.491 6.901 3.016 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.131 6.930 1.356 1.00 0.00 H new ATOM 342 N ASP A 23 -14.823 4.470 0.228 1.00 0.00 N ATOM 343 CA ASP A 23 -14.719 4.186 -1.202 1.00 0.00 C ATOM 344 C ASP A 23 -13.248 4.006 -1.581 1.00 0.00 C ATOM 345 O ASP A 23 -12.360 4.413 -0.818 1.00 0.00 O ATOM 346 CB ASP A 23 -15.346 5.338 -1.994 1.00 0.00 C ATOM 347 CG ASP A 23 -15.315 5.020 -3.485 1.00 0.00 C ATOM 348 OD1 ASP A 23 -14.403 5.526 -4.179 1.00 0.00 O ATOM 349 OD2 ASP A 23 -16.118 4.162 -3.906 1.00 0.00 O ATOM 0 H ASP A 23 -14.072 5.071 0.567 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.253 3.266 -1.439 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.374 5.497 -1.669 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.803 6.263 -1.799 1.00 0.00 H new ATOM 354 N ALA A 24 -12.958 3.362 -2.714 1.00 0.00 N ATOM 355 CA ALA A 24 -11.598 3.129 -3.181 1.00 0.00 C ATOM 356 C ALA A 24 -10.864 4.447 -3.433 1.00 0.00 C ATOM 357 O ALA A 24 -9.664 4.515 -3.177 1.00 0.00 O ATOM 358 CB ALA A 24 -11.605 2.240 -4.426 1.00 0.00 C ATOM 0 H ALA A 24 -13.672 2.985 -3.337 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.052 2.604 -2.397 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.581 2.076 -4.762 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -12.066 1.282 -4.186 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.173 2.728 -5.218 1.00 0.00 H new ATOM 364 N ALA A 25 -11.552 5.516 -3.852 1.00 0.00 N ATOM 365 CA ALA A 25 -10.911 6.807 -4.101 1.00 0.00 C ATOM 366 C ALA A 25 -10.241 7.344 -2.828 1.00 0.00 C ATOM 367 O ALA A 25 -9.196 7.986 -2.891 1.00 0.00 O ATOM 368 CB ALA A 25 -11.946 7.799 -4.630 1.00 0.00 C ATOM 0 H ALA A 25 -12.557 5.509 -4.026 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.131 6.673 -4.851 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.467 8.760 -4.815 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.371 7.420 -5.560 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.739 7.925 -3.893 1.00 0.00 H new ATOM 374 N THR A 26 -10.825 7.098 -1.654 1.00 0.00 N ATOM 375 CA THR A 26 -10.255 7.545 -0.389 1.00 0.00 C ATOM 376 C THR A 26 -8.961 6.764 -0.101 1.00 0.00 C ATOM 377 O THR A 26 -8.027 7.318 0.490 1.00 0.00 O ATOM 378 CB THR A 26 -11.327 7.375 0.699 1.00 0.00 C ATOM 379 OG1 THR A 26 -12.406 8.251 0.414 1.00 0.00 O ATOM 380 CG2 THR A 26 -10.831 7.630 2.124 1.00 0.00 C ATOM 0 H THR A 26 -11.702 6.586 -1.557 1.00 0.00 H new ATOM 0 HA THR A 26 -9.973 8.598 -0.420 1.00 0.00 H new ATOM 0 HB THR A 26 -11.632 6.329 0.673 1.00 0.00 H new ATOM 0 HG1 THR A 26 -13.098 8.151 1.100 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.653 7.488 2.826 1.00 0.00 H new ATOM 0 HG22 THR A 26 -10.027 6.933 2.360 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.459 8.652 2.203 1.00 0.00 H new ATOM 388 N ALA A 27 -8.905 5.488 -0.498 1.00 0.00 N ATOM 389 CA ALA A 27 -7.752 4.621 -0.311 1.00 0.00 C ATOM 390 C ALA A 27 -6.650 4.954 -1.327 1.00 0.00 C ATOM 391 O ALA A 27 -5.465 4.871 -1.002 1.00 0.00 O ATOM 392 CB ALA A 27 -8.202 3.160 -0.414 1.00 0.00 C ATOM 0 H ALA A 27 -9.682 5.025 -0.969 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.326 4.783 0.679 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.343 2.504 -0.275 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.945 2.953 0.356 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.639 2.982 -1.397 1.00 0.00 H new ATOM 398 N GLU A 28 -7.020 5.402 -2.523 1.00 0.00 N ATOM 399 CA GLU A 28 -6.120 5.773 -3.607 1.00 0.00 C ATOM 400 C GLU A 28 -5.226 6.959 -3.202 1.00 0.00 C ATOM 401 O GLU A 28 -4.062 7.043 -3.595 1.00 0.00 O ATOM 402 CB GLU A 28 -6.999 6.106 -4.819 1.00 0.00 C ATOM 403 CG GLU A 28 -6.231 6.210 -6.137 1.00 0.00 C ATOM 404 CD GLU A 28 -7.210 6.618 -7.234 1.00 0.00 C ATOM 405 OE1 GLU A 28 -7.877 5.737 -7.829 1.00 0.00 O ATOM 406 OE2 GLU A 28 -7.368 7.842 -7.464 1.00 0.00 O ATOM 0 H GLU A 28 -8.002 5.521 -2.773 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.440 4.956 -3.849 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.768 5.340 -4.918 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.512 7.050 -4.634 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.429 6.944 -6.052 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.765 5.255 -6.381 1.00 0.00 H new ATOM 413 N LYS A 29 -5.728 7.872 -2.367 1.00 0.00 N ATOM 414 CA LYS A 29 -4.957 9.029 -1.908 1.00 0.00 C ATOM 415 C LYS A 29 -3.823 8.562 -1.006 1.00 0.00 C ATOM 416 O LYS A 29 -2.662 8.915 -1.251 1.00 0.00 O ATOM 417 CB LYS A 29 -5.873 10.020 -1.183 1.00 0.00 C ATOM 418 CG LYS A 29 -6.877 10.619 -2.165 1.00 0.00 C ATOM 419 CD LYS A 29 -7.850 11.573 -1.475 1.00 0.00 C ATOM 420 CE LYS A 29 -8.729 12.096 -2.603 1.00 0.00 C ATOM 421 NZ LYS A 29 -9.857 12.921 -2.150 1.00 0.00 N ATOM 0 H LYS A 29 -6.676 7.830 -1.992 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.524 9.543 -2.766 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.401 9.515 -0.374 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.278 10.813 -0.730 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.342 11.152 -2.951 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.436 9.817 -2.647 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.440 11.059 -0.717 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.323 12.384 -0.973 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.115 12.683 -3.286 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.116 11.249 -3.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.407 13.239 -2.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.467 12.360 -1.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.496 13.749 -1.634 1.00 0.00 H new ATOM 435 N VAL A 30 -4.157 7.770 0.018 1.00 0.00 N ATOM 436 CA VAL A 30 -3.193 7.223 0.962 1.00 0.00 C ATOM 437 C VAL A 30 -2.231 6.283 0.241 1.00 0.00 C ATOM 438 O VAL A 30 -1.067 6.256 0.621 1.00 0.00 O ATOM 439 CB VAL A 30 -3.829 6.638 2.240 1.00 0.00 C ATOM 440 CG1 VAL A 30 -4.664 5.378 2.011 1.00 0.00 C ATOM 441 CG2 VAL A 30 -2.776 6.334 3.310 1.00 0.00 C ATOM 0 H VAL A 30 -5.119 7.491 0.212 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.600 8.050 1.352 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.504 7.423 2.581 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.073 5.035 2.961 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.480 5.602 1.324 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.035 4.597 1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.264 5.924 4.194 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.061 5.609 2.921 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.253 7.252 3.577 1.00 0.00 H new ATOM 451 N PHE A 31 -2.645 5.567 -0.815 1.00 0.00 N ATOM 452 CA PHE A 31 -1.769 4.634 -1.518 1.00 0.00 C ATOM 453 C PHE A 31 -0.506 5.369 -1.961 1.00 0.00 C ATOM 454 O PHE A 31 0.587 4.872 -1.717 1.00 0.00 O ATOM 455 CB PHE A 31 -2.546 4.059 -2.724 1.00 0.00 C ATOM 456 CG PHE A 31 -1.797 3.260 -3.782 1.00 0.00 C ATOM 457 CD1 PHE A 31 -0.924 3.902 -4.689 1.00 0.00 C ATOM 458 CD2 PHE A 31 -2.100 1.898 -3.978 1.00 0.00 C ATOM 459 CE1 PHE A 31 -0.317 3.182 -5.731 1.00 0.00 C ATOM 460 CE2 PHE A 31 -1.545 1.195 -5.063 1.00 0.00 C ATOM 461 CZ PHE A 31 -0.644 1.832 -5.932 1.00 0.00 C ATOM 0 H PHE A 31 -3.589 5.621 -1.199 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.466 3.811 -0.870 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.336 3.420 -2.330 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.033 4.894 -3.228 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.721 4.957 -4.580 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.762 1.391 -3.292 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.400 3.667 -6.377 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.813 0.162 -5.228 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.204 1.285 -6.752 1.00 0.00 H new ATOM 471 N LYS A 32 -0.627 6.567 -2.543 1.00 0.00 N ATOM 472 CA LYS A 32 0.546 7.317 -2.952 1.00 0.00 C ATOM 473 C LYS A 32 1.197 7.983 -1.752 1.00 0.00 C ATOM 474 O LYS A 32 2.392 7.855 -1.560 1.00 0.00 O ATOM 475 CB LYS A 32 0.210 8.345 -4.039 1.00 0.00 C ATOM 476 CG LYS A 32 1.483 9.073 -4.511 1.00 0.00 C ATOM 477 CD LYS A 32 1.120 10.116 -5.560 1.00 0.00 C ATOM 478 CE LYS A 32 2.355 10.877 -6.027 1.00 0.00 C ATOM 479 NZ LYS A 32 2.010 11.775 -7.143 1.00 0.00 N ATOM 0 H LYS A 32 -1.517 7.026 -2.736 1.00 0.00 H new ATOM 0 HA LYS A 32 1.258 6.613 -3.383 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.264 7.846 -4.884 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.507 9.069 -3.653 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.975 9.551 -3.664 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.190 8.356 -4.927 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.645 9.629 -6.412 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.393 10.815 -5.146 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.769 11.455 -5.201 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.126 10.174 -6.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.861 12.288 -7.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.636 11.216 -7.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.290 12.457 -6.830 1.00 0.00 H new ATOM 493 N GLN A 33 0.414 8.692 -0.942 1.00 0.00 N ATOM 494 CA GLN A 33 0.904 9.449 0.205 1.00 0.00 C ATOM 495 C GLN A 33 1.672 8.642 1.252 1.00 0.00 C ATOM 496 O GLN A 33 2.775 9.038 1.605 1.00 0.00 O ATOM 497 CB GLN A 33 -0.312 10.163 0.807 1.00 0.00 C ATOM 498 CG GLN A 33 0.004 11.139 1.937 1.00 0.00 C ATOM 499 CD GLN A 33 -1.265 11.855 2.384 1.00 0.00 C ATOM 500 OE1 GLN A 33 -1.622 12.894 1.835 1.00 0.00 O ATOM 501 NE2 GLN A 33 -2.007 11.309 3.334 1.00 0.00 N ATOM 0 H GLN A 33 -0.596 8.757 -1.067 1.00 0.00 H new ATOM 0 HA GLN A 33 1.660 10.150 -0.147 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.826 10.705 0.013 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.007 9.411 1.181 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.443 10.603 2.778 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.743 11.867 1.602 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.704 10.446 3.785 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.882 11.751 3.615 1.00 0.00 H new ATOM 510 N TYR A 34 1.134 7.529 1.753 1.00 0.00 N ATOM 511 CA TYR A 34 1.817 6.720 2.759 1.00 0.00 C ATOM 512 C TYR A 34 3.070 6.080 2.168 1.00 0.00 C ATOM 513 O TYR A 34 4.155 6.200 2.732 1.00 0.00 O ATOM 514 CB TYR A 34 0.857 5.668 3.340 1.00 0.00 C ATOM 515 CG TYR A 34 1.537 4.518 4.060 1.00 0.00 C ATOM 516 CD1 TYR A 34 1.371 3.205 3.582 1.00 0.00 C ATOM 517 CD2 TYR A 34 2.387 4.765 5.154 1.00 0.00 C ATOM 518 CE1 TYR A 34 2.085 2.148 4.172 1.00 0.00 C ATOM 519 CE2 TYR A 34 3.099 3.710 5.749 1.00 0.00 C ATOM 520 CZ TYR A 34 2.962 2.395 5.249 1.00 0.00 C ATOM 521 OH TYR A 34 3.682 1.368 5.776 1.00 0.00 O ATOM 0 H TYR A 34 0.222 7.167 1.475 1.00 0.00 H new ATOM 0 HA TYR A 34 2.135 7.365 3.578 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.176 6.161 4.034 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.250 5.264 2.530 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.695 3.010 2.762 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.492 5.769 5.538 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.962 1.142 3.799 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.751 3.904 6.588 1.00 0.00 H new ATOM 0 HH TYR A 34 4.239 1.702 6.510 1.00 0.00 H new ATOM 531 N ALA A 35 2.940 5.415 1.019 1.00 0.00 N ATOM 532 CA ALA A 35 4.070 4.750 0.391 1.00 0.00 C ATOM 533 C ALA A 35 5.173 5.740 0.012 1.00 0.00 C ATOM 534 O ALA A 35 6.342 5.478 0.276 1.00 0.00 O ATOM 535 CB ALA A 35 3.566 3.954 -0.809 1.00 0.00 C ATOM 0 H ALA A 35 2.061 5.326 0.509 1.00 0.00 H new ATOM 0 HA ALA A 35 4.527 4.062 1.102 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.405 3.450 -1.289 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.840 3.213 -0.475 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.093 4.630 -1.521 1.00 0.00 H new ATOM 541 N ASN A 36 4.829 6.881 -0.590 1.00 0.00 N ATOM 542 CA ASN A 36 5.822 7.876 -0.980 1.00 0.00 C ATOM 543 C ASN A 36 6.566 8.398 0.240 1.00 0.00 C ATOM 544 O ASN A 36 7.781 8.573 0.162 1.00 0.00 O ATOM 545 CB ASN A 36 5.179 9.049 -1.725 1.00 0.00 C ATOM 546 CG ASN A 36 6.212 10.068 -2.179 1.00 0.00 C ATOM 547 OD1 ASN A 36 6.100 11.249 -1.876 1.00 0.00 O ATOM 548 ND2 ASN A 36 7.203 9.647 -2.952 1.00 0.00 N ATOM 0 H ASN A 36 3.868 7.136 -0.817 1.00 0.00 H new ATOM 0 HA ASN A 36 6.526 7.384 -1.651 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.634 8.674 -2.591 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.450 9.535 -1.076 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.891 10.311 -3.307 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.278 8.659 -3.192 1.00 0.00 H new ATOM 555 N ASP A 37 5.849 8.611 1.349 1.00 0.00 N ATOM 556 CA ASP A 37 6.419 9.104 2.611 1.00 0.00 C ATOM 557 C ASP A 37 7.386 8.068 3.200 1.00 0.00 C ATOM 558 O ASP A 37 8.359 8.406 3.873 1.00 0.00 O ATOM 559 CB ASP A 37 5.289 9.420 3.601 1.00 0.00 C ATOM 560 CG ASP A 37 5.746 10.295 4.766 1.00 0.00 C ATOM 561 OD1 ASP A 37 5.869 11.526 4.552 1.00 0.00 O ATOM 562 OD2 ASP A 37 5.853 9.794 5.912 1.00 0.00 O ATOM 0 H ASP A 37 4.844 8.444 1.397 1.00 0.00 H new ATOM 0 HA ASP A 37 6.980 10.018 2.418 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.479 9.922 3.072 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.884 8.487 3.992 1.00 0.00 H new ATOM 567 N ASN A 38 7.151 6.796 2.873 1.00 0.00 N ATOM 568 CA ASN A 38 7.912 5.623 3.278 1.00 0.00 C ATOM 569 C ASN A 38 9.131 5.410 2.361 1.00 0.00 C ATOM 570 O ASN A 38 9.840 4.417 2.515 1.00 0.00 O ATOM 571 CB ASN A 38 6.954 4.416 3.329 1.00 0.00 C ATOM 572 CG ASN A 38 7.437 3.228 4.153 1.00 0.00 C ATOM 573 OD1 ASN A 38 8.212 3.360 5.100 1.00 0.00 O ATOM 574 ND2 ASN A 38 6.896 2.061 3.847 1.00 0.00 N ATOM 0 H ASN A 38 6.365 6.545 2.274 1.00 0.00 H new ATOM 0 HA ASN A 38 8.330 5.760 4.275 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.998 4.750 3.732 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.770 4.078 2.309 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.117 1.235 4.403 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.257 1.987 3.055 1.00 0.00 H new ATOM 581 N GLY A 39 9.389 6.307 1.398 1.00 0.00 N ATOM 582 CA GLY A 39 10.522 6.259 0.474 1.00 0.00 C ATOM 583 C GLY A 39 10.504 5.125 -0.549 1.00 0.00 C ATOM 584 O GLY A 39 11.561 4.567 -0.843 1.00 0.00 O ATOM 0 H GLY A 39 8.788 7.116 1.239 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.567 7.206 -0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.439 6.180 1.058 1.00 0.00 H new ATOM 588 N VAL A 40 9.347 4.794 -1.123 1.00 0.00 N ATOM 589 CA VAL A 40 9.260 3.700 -2.091 1.00 0.00 C ATOM 590 C VAL A 40 9.687 4.069 -3.505 1.00 0.00 C ATOM 591 O VAL A 40 9.345 5.144 -4.002 1.00 0.00 O ATOM 592 CB VAL A 40 7.831 3.149 -2.164 1.00 0.00 C ATOM 593 CG1 VAL A 40 7.418 2.624 -0.793 1.00 0.00 C ATOM 594 CG2 VAL A 40 6.792 4.142 -2.718 1.00 0.00 C ATOM 0 H VAL A 40 8.462 5.265 -0.936 1.00 0.00 H new ATOM 0 HA VAL A 40 9.961 2.953 -1.718 1.00 0.00 H new ATOM 0 HB VAL A 40 7.848 2.335 -2.888 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.402 2.232 -0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.099 1.829 -0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.458 3.435 -0.066 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.810 3.670 -2.734 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.759 5.026 -2.082 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.071 4.434 -3.730 1.00 0.00 H new ATOM 604 N ASP A 41 10.538 3.239 -4.096 1.00 0.00 N ATOM 605 CA ASP A 41 11.003 3.370 -5.462 1.00 0.00 C ATOM 606 C ASP A 41 11.043 1.959 -6.062 1.00 0.00 C ATOM 607 O ASP A 41 12.125 1.430 -6.329 1.00 0.00 O ATOM 608 CB ASP A 41 12.306 4.163 -5.554 1.00 0.00 C ATOM 609 CG ASP A 41 12.581 4.610 -6.992 1.00 0.00 C ATOM 610 OD1 ASP A 41 13.667 5.189 -7.211 1.00 0.00 O ATOM 611 OD2 ASP A 41 11.709 4.477 -7.890 1.00 0.00 O ATOM 0 H ASP A 41 10.934 2.430 -3.617 1.00 0.00 H new ATOM 0 HA ASP A 41 10.321 3.971 -6.063 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.250 5.036 -4.903 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.134 3.551 -5.196 1.00 0.00 H new ATOM 616 N GLY A 42 9.879 1.315 -6.215 1.00 0.00 N ATOM 617 CA GLY A 42 9.782 -0.039 -6.755 1.00 0.00 C ATOM 618 C GLY A 42 8.454 -0.309 -7.462 1.00 0.00 C ATOM 619 O GLY A 42 7.624 0.584 -7.640 1.00 0.00 O ATOM 0 H GLY A 42 8.978 1.723 -5.966 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.600 -0.203 -7.456 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.908 -0.757 -5.944 1.00 0.00 H new ATOM 623 N GLU A 43 8.303 -1.542 -7.930 1.00 0.00 N ATOM 624 CA GLU A 43 7.159 -2.079 -8.655 1.00 0.00 C ATOM 625 C GLU A 43 6.086 -2.521 -7.664 1.00 0.00 C ATOM 626 O GLU A 43 6.399 -2.939 -6.545 1.00 0.00 O ATOM 627 CB GLU A 43 7.568 -3.232 -9.592 1.00 0.00 C ATOM 628 CG GLU A 43 8.234 -4.427 -8.886 1.00 0.00 C ATOM 629 CD GLU A 43 8.151 -5.699 -9.728 1.00 0.00 C ATOM 630 OE1 GLU A 43 7.192 -6.483 -9.536 1.00 0.00 O ATOM 631 OE2 GLU A 43 9.009 -5.918 -10.612 1.00 0.00 O ATOM 0 H GLU A 43 9.032 -2.244 -7.803 1.00 0.00 H new ATOM 0 HA GLU A 43 6.750 -1.292 -9.289 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.682 -3.586 -10.119 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.253 -2.844 -10.346 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.279 -4.193 -8.682 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.752 -4.596 -7.923 1.00 0.00 H new ATOM 638 N TRP A 44 4.822 -2.442 -8.074 1.00 0.00 N ATOM 639 CA TRP A 44 3.670 -2.795 -7.258 1.00 0.00 C ATOM 640 C TRP A 44 2.981 -4.059 -7.773 1.00 0.00 C ATOM 641 O TRP A 44 2.988 -4.322 -8.979 1.00 0.00 O ATOM 642 CB TRP A 44 2.702 -1.600 -7.268 1.00 0.00 C ATOM 643 CG TRP A 44 3.223 -0.356 -6.604 1.00 0.00 C ATOM 644 CD1 TRP A 44 4.331 0.340 -6.952 1.00 0.00 C ATOM 645 CD2 TRP A 44 2.701 0.315 -5.420 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.572 1.327 -6.024 1.00 0.00 N ATOM 647 CE2 TRP A 44 3.525 1.445 -5.135 1.00 0.00 C ATOM 648 CE3 TRP A 44 1.623 0.068 -4.549 1.00 0.00 C ATOM 649 CZ2 TRP A 44 3.235 2.337 -4.094 1.00 0.00 C ATOM 650 CZ3 TRP A 44 1.331 0.944 -3.491 1.00 0.00 C ATOM 651 CH2 TRP A 44 2.111 2.092 -3.287 1.00 0.00 C ATOM 0 H TRP A 44 4.567 -2.122 -9.008 1.00 0.00 H new ATOM 0 HA TRP A 44 3.995 -3.012 -6.240 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.450 -1.364 -8.302 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.777 -1.897 -6.775 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.935 0.149 -7.827 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.417 1.898 -5.997 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.011 -0.809 -4.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.864 3.197 -3.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.502 0.733 -2.831 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.847 2.790 -2.507 1.00 0.00 H new ATOM 662 N THR A 45 2.353 -4.820 -6.883 1.00 0.00 N ATOM 663 CA THR A 45 1.598 -6.041 -7.149 1.00 0.00 C ATOM 664 C THR A 45 0.359 -5.991 -6.243 1.00 0.00 C ATOM 665 O THR A 45 0.374 -5.279 -5.231 1.00 0.00 O ATOM 666 CB THR A 45 2.449 -7.308 -6.937 1.00 0.00 C ATOM 667 OG1 THR A 45 3.267 -7.239 -5.784 1.00 0.00 O ATOM 668 CG2 THR A 45 3.338 -7.625 -8.137 1.00 0.00 C ATOM 0 H THR A 45 2.358 -4.585 -5.890 1.00 0.00 H new ATOM 0 HA THR A 45 1.296 -6.095 -8.195 1.00 0.00 H new ATOM 0 HB THR A 45 1.718 -8.106 -6.806 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.782 -8.068 -5.698 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.916 -8.527 -7.934 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.717 -7.783 -9.019 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.017 -6.792 -8.317 1.00 0.00 H new ATOM 676 N TYR A 46 -0.702 -6.744 -6.568 1.00 0.00 N ATOM 677 CA TYR A 46 -1.941 -6.744 -5.792 1.00 0.00 C ATOM 678 C TYR A 46 -2.476 -8.151 -5.511 1.00 0.00 C ATOM 679 O TYR A 46 -2.253 -9.083 -6.291 1.00 0.00 O ATOM 680 CB TYR A 46 -2.985 -5.913 -6.551 1.00 0.00 C ATOM 681 CG TYR A 46 -4.328 -5.840 -5.855 1.00 0.00 C ATOM 682 CD1 TYR A 46 -4.420 -5.233 -4.591 1.00 0.00 C ATOM 683 CD2 TYR A 46 -5.469 -6.429 -6.433 1.00 0.00 C ATOM 684 CE1 TYR A 46 -5.642 -5.207 -3.907 1.00 0.00 C ATOM 685 CE2 TYR A 46 -6.708 -6.366 -5.771 1.00 0.00 C ATOM 686 CZ TYR A 46 -6.797 -5.728 -4.516 1.00 0.00 C ATOM 687 OH TYR A 46 -7.989 -5.577 -3.885 1.00 0.00 O ATOM 0 H TYR A 46 -0.721 -7.367 -7.375 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.730 -6.306 -4.816 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.602 -4.902 -6.689 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.123 -6.339 -7.545 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.545 -4.785 -4.145 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.392 -6.930 -7.387 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -5.697 -4.787 -2.913 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.587 -6.804 -6.221 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.705 -5.943 -4.446 1.00 0.00 H new ATOM 697 N ASP A 47 -3.090 -8.332 -4.339 1.00 0.00 N ATOM 698 CA ASP A 47 -3.710 -9.560 -3.840 1.00 0.00 C ATOM 699 C ASP A 47 -5.121 -9.219 -3.357 1.00 0.00 C ATOM 700 O ASP A 47 -5.267 -8.707 -2.245 1.00 0.00 O ATOM 701 CB ASP A 47 -2.838 -10.186 -2.740 1.00 0.00 C ATOM 702 CG ASP A 47 -2.512 -11.665 -2.911 1.00 0.00 C ATOM 703 OD1 ASP A 47 -2.840 -12.303 -3.940 1.00 0.00 O ATOM 704 OD2 ASP A 47 -1.795 -12.182 -2.025 1.00 0.00 O ATOM 0 H ASP A 47 -3.172 -7.569 -3.667 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.789 -10.308 -4.629 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.901 -9.631 -2.686 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.343 -10.053 -1.783 1.00 0.00 H new ATOM 709 N ASP A 48 -6.179 -9.497 -4.116 1.00 0.00 N ATOM 710 CA ASP A 48 -7.550 -9.162 -3.699 1.00 0.00 C ATOM 711 C ASP A 48 -8.042 -9.884 -2.442 1.00 0.00 C ATOM 712 O ASP A 48 -9.030 -9.441 -1.866 1.00 0.00 O ATOM 713 CB ASP A 48 -8.569 -9.324 -4.837 1.00 0.00 C ATOM 714 CG ASP A 48 -9.865 -8.546 -4.566 1.00 0.00 C ATOM 715 OD1 ASP A 48 -10.976 -9.123 -4.599 1.00 0.00 O ATOM 716 OD2 ASP A 48 -9.805 -7.317 -4.329 1.00 0.00 O ATOM 0 H ASP A 48 -6.119 -9.954 -5.026 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.480 -8.107 -3.433 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.127 -8.977 -5.771 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.801 -10.381 -4.967 1.00 0.00 H new ATOM 721 N ALA A 49 -7.338 -10.902 -1.935 1.00 0.00 N ATOM 722 CA ALA A 49 -7.755 -11.665 -0.758 1.00 0.00 C ATOM 723 C ALA A 49 -8.000 -10.748 0.444 1.00 0.00 C ATOM 724 O ALA A 49 -9.076 -10.810 1.038 1.00 0.00 O ATOM 725 CB ALA A 49 -6.709 -12.738 -0.447 1.00 0.00 C ATOM 0 H ALA A 49 -6.455 -11.221 -2.335 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.704 -12.157 -0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.020 -13.306 0.430 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.613 -13.410 -1.300 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.748 -12.263 -0.249 1.00 0.00 H new ATOM 731 N THR A 50 -7.030 -9.894 0.784 1.00 0.00 N ATOM 732 CA THR A 50 -7.132 -8.925 1.879 1.00 0.00 C ATOM 733 C THR A 50 -6.784 -7.515 1.340 1.00 0.00 C ATOM 734 O THR A 50 -6.610 -6.554 2.088 1.00 0.00 O ATOM 735 CB THR A 50 -6.399 -9.455 3.133 1.00 0.00 C ATOM 736 OG1 THR A 50 -6.956 -8.992 4.349 1.00 0.00 O ATOM 737 CG2 THR A 50 -4.887 -9.248 3.129 1.00 0.00 C ATOM 0 H THR A 50 -6.135 -9.856 0.296 1.00 0.00 H new ATOM 0 HA THR A 50 -8.148 -8.801 2.254 1.00 0.00 H new ATOM 0 HB THR A 50 -6.563 -10.531 3.072 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.451 -9.363 5.102 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.462 -9.652 4.048 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.452 -9.762 2.272 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.666 -8.183 3.064 1.00 0.00 H new ATOM 745 N LYS A 51 -6.734 -7.369 0.008 1.00 0.00 N ATOM 746 CA LYS A 51 -6.442 -6.203 -0.776 1.00 0.00 C ATOM 747 C LYS A 51 -5.027 -5.767 -0.442 1.00 0.00 C ATOM 748 O LYS A 51 -4.796 -4.616 -0.089 1.00 0.00 O ATOM 749 CB LYS A 51 -7.587 -5.173 -0.729 1.00 0.00 C ATOM 750 CG LYS A 51 -8.974 -5.838 -0.826 1.00 0.00 C ATOM 751 CD LYS A 51 -10.107 -4.821 -0.969 1.00 0.00 C ATOM 752 CE LYS A 51 -11.433 -5.573 -1.109 1.00 0.00 C ATOM 753 NZ LYS A 51 -11.645 -6.059 -2.489 1.00 0.00 N ATOM 0 H LYS A 51 -6.922 -8.169 -0.596 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.423 -6.396 -1.849 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.523 -4.604 0.198 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.468 -4.463 -1.548 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.989 -6.515 -1.680 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.145 -6.444 0.064 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.136 -4.164 -0.100 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.938 -4.189 -1.841 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.446 -6.418 -0.420 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.255 -4.916 -0.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.371 -6.803 -2.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.959 -5.271 -3.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.754 -6.445 -2.862 1.00 0.00 H new ATOM 767 N THR A 52 -4.114 -6.745 -0.468 1.00 0.00 N ATOM 768 CA THR A 52 -2.713 -6.538 -0.193 1.00 0.00 C ATOM 769 C THR A 52 -2.096 -5.869 -1.408 1.00 0.00 C ATOM 770 O THR A 52 -2.345 -6.288 -2.537 1.00 0.00 O ATOM 771 CB THR A 52 -1.931 -7.847 0.027 1.00 0.00 C ATOM 772 OG1 THR A 52 -2.590 -8.776 0.859 1.00 0.00 O ATOM 773 CG2 THR A 52 -0.558 -7.559 0.656 1.00 0.00 C ATOM 0 H THR A 52 -4.346 -7.714 -0.686 1.00 0.00 H new ATOM 0 HA THR A 52 -2.652 -5.944 0.719 1.00 0.00 H new ATOM 0 HB THR A 52 -1.836 -8.286 -0.966 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.038 -9.580 0.952 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.021 -8.496 0.803 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.017 -6.912 -0.006 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.695 -7.064 1.618 1.00 0.00 H new ATOM 781 N PHE A 53 -1.262 -4.876 -1.169 1.00 0.00 N ATOM 782 CA PHE A 53 -0.514 -4.145 -2.162 1.00 0.00 C ATOM 783 C PHE A 53 0.907 -4.390 -1.678 1.00 0.00 C ATOM 784 O PHE A 53 1.208 -4.072 -0.519 1.00 0.00 O ATOM 785 CB PHE A 53 -0.873 -2.662 -2.169 1.00 0.00 C ATOM 786 CG PHE A 53 -2.254 -2.334 -2.693 1.00 0.00 C ATOM 787 CD1 PHE A 53 -2.476 -2.234 -4.080 1.00 0.00 C ATOM 788 CD2 PHE A 53 -3.312 -2.100 -1.795 1.00 0.00 C ATOM 789 CE1 PHE A 53 -3.744 -1.866 -4.564 1.00 0.00 C ATOM 790 CE2 PHE A 53 -4.574 -1.725 -2.282 1.00 0.00 C ATOM 791 CZ PHE A 53 -4.790 -1.599 -3.665 1.00 0.00 C ATOM 0 H PHE A 53 -1.081 -4.542 -0.222 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.699 -4.457 -3.190 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -0.788 -2.280 -1.152 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.138 -2.130 -2.772 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.673 -2.440 -4.772 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.153 -2.209 -0.732 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.914 -1.789 -5.628 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.382 -1.533 -1.591 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.758 -1.297 -4.036 1.00 0.00 H new ATOM 801 N THR A 54 1.748 -5.006 -2.505 1.00 0.00 N ATOM 802 CA THR A 54 3.127 -5.295 -2.137 1.00 0.00 C ATOM 803 C THR A 54 4.073 -4.567 -3.080 1.00 0.00 C ATOM 804 O THR A 54 3.829 -4.487 -4.287 1.00 0.00 O ATOM 805 CB THR A 54 3.419 -6.809 -2.161 1.00 0.00 C ATOM 806 OG1 THR A 54 2.429 -7.570 -1.484 1.00 0.00 O ATOM 807 CG2 THR A 54 4.774 -7.096 -1.498 1.00 0.00 C ATOM 0 H THR A 54 1.493 -5.316 -3.443 1.00 0.00 H new ATOM 0 HA THR A 54 3.283 -4.945 -1.117 1.00 0.00 H new ATOM 0 HB THR A 54 3.423 -7.103 -3.210 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.660 -8.521 -1.530 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.970 -8.168 -1.520 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.562 -6.572 -2.039 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.753 -6.753 -0.464 1.00 0.00 H new ATOM 815 N VAL A 55 5.141 -4.015 -2.513 1.00 0.00 N ATOM 816 CA VAL A 55 6.207 -3.320 -3.207 1.00 0.00 C ATOM 817 C VAL A 55 7.497 -3.936 -2.707 1.00 0.00 C ATOM 818 O VAL A 55 7.650 -4.163 -1.503 1.00 0.00 O ATOM 819 CB VAL A 55 6.157 -1.813 -2.939 1.00 0.00 C ATOM 820 CG1 VAL A 55 7.467 -1.058 -3.217 1.00 0.00 C ATOM 821 CG2 VAL A 55 5.079 -1.160 -3.794 1.00 0.00 C ATOM 0 H VAL A 55 5.289 -4.045 -1.504 1.00 0.00 H new ATOM 0 HA VAL A 55 6.115 -3.427 -4.288 1.00 0.00 H new ATOM 0 HB VAL A 55 5.951 -1.738 -1.871 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.330 0.001 -2.997 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.260 -1.460 -2.586 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.741 -1.179 -4.265 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.055 -0.089 -3.593 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.300 -1.327 -4.848 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.110 -1.596 -3.553 1.00 0.00 H new ATOM 831 N THR A 56 8.402 -4.195 -3.635 1.00 0.00 N ATOM 832 CA THR A 56 9.717 -4.747 -3.411 1.00 0.00 C ATOM 833 C THR A 56 10.654 -3.777 -4.128 1.00 0.00 C ATOM 834 O THR A 56 10.506 -3.566 -5.332 1.00 0.00 O ATOM 835 CB THR A 56 9.767 -6.222 -3.865 1.00 0.00 C ATOM 836 OG1 THR A 56 8.840 -6.498 -4.899 1.00 0.00 O ATOM 837 CG2 THR A 56 9.375 -7.142 -2.704 1.00 0.00 C ATOM 0 H THR A 56 8.223 -4.013 -4.622 1.00 0.00 H new ATOM 0 HA THR A 56 10.019 -4.818 -2.366 1.00 0.00 H new ATOM 0 HB THR A 56 10.786 -6.395 -4.212 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.908 -7.441 -5.156 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.413 -8.180 -3.034 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.069 -6.999 -1.876 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.364 -6.903 -2.376 1.00 0.00 H new ATOM 845 N GLU A 57 11.486 -3.047 -3.383 1.00 0.00 N ATOM 846 CA GLU A 57 12.444 -2.097 -3.943 1.00 0.00 C ATOM 847 C GLU A 57 13.485 -2.897 -4.707 1.00 0.00 C ATOM 848 O GLU A 57 13.651 -2.685 -5.924 1.00 0.00 O ATOM 849 CB GLU A 57 13.082 -1.281 -2.808 1.00 0.00 C ATOM 850 CG GLU A 57 13.898 -0.083 -3.310 1.00 0.00 C ATOM 851 CD GLU A 57 14.746 0.573 -2.206 1.00 0.00 C ATOM 852 OE1 GLU A 57 14.269 0.760 -1.057 1.00 0.00 O ATOM 853 OE2 GLU A 57 15.918 0.903 -2.505 1.00 0.00 O ATOM 0 H GLU A 57 11.513 -3.100 -2.365 1.00 0.00 H new ATOM 0 HA GLU A 57 11.959 -1.392 -4.618 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.298 -0.924 -2.141 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.729 -1.932 -2.220 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.553 -0.410 -4.118 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.221 0.660 -3.730 1.00 0.00 H new