USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 411 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 THR OG1 : rot -36:sc= 0.683 USER MOD Set 1.2: A 52 THR OG1 : rot 65:sc= 0.944 USER MOD Set 2.1: A 33 GLN :FLIP amide:sc= 0 X(o=0.17,f=0.21) USER MOD Set 2.2: A 36 ASN : amide:sc= 0.215 X(o=0.21,f=0.17) USER MOD Set 3.1: A 17 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 34 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 9 ASN : amide:sc= -0.0758 K(o=-0.076,f=-0.94) USER MOD Set 4.2: A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.053) 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 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 160:sc= 0 USER MOD Single : A 26 THR OG1 : rot -140:sc= 0.0088 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 38 ASN : amide:sc= 0.514 K(o=0.51,f=-0.073) USER MOD Single : A 45 THR OG1 : rot 175:sc= -0.683 USER MOD Single : A 46 TYR OH : rot -161:sc= 1.24 USER MOD Single : A 51 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.036) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N GLY A 2 -13.848 -0.353 -2.734 1.00 0.00 N ATOM 19 CA GLY A 2 -13.439 0.395 -3.908 1.00 0.00 C ATOM 20 C GLY A 2 -12.019 0.058 -4.299 1.00 0.00 C ATOM 21 O GLY A 2 -11.384 -0.800 -3.686 1.00 0.00 O ATOM 0 HA2 GLY A 2 -14.111 0.172 -4.737 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.521 1.464 -3.709 1.00 0.00 H new ATOM 25 N THR A 3 -11.542 0.706 -5.355 1.00 0.00 N ATOM 26 CA THR A 3 -10.192 0.509 -5.839 1.00 0.00 C ATOM 27 C THR A 3 -9.291 1.352 -4.951 1.00 0.00 C ATOM 28 O THR A 3 -9.431 2.579 -4.901 1.00 0.00 O ATOM 29 CB THR A 3 -10.036 0.929 -7.306 1.00 0.00 C ATOM 30 OG1 THR A 3 -11.070 0.384 -8.106 1.00 0.00 O ATOM 31 CG2 THR A 3 -8.676 0.495 -7.862 1.00 0.00 C ATOM 0 H THR A 3 -12.084 1.381 -5.895 1.00 0.00 H new ATOM 0 HA THR A 3 -9.931 -0.548 -5.797 1.00 0.00 H new ATOM 0 HB THR A 3 -10.101 2.017 -7.339 1.00 0.00 H new ATOM 0 HG1 THR A 3 -10.948 0.668 -9.036 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.593 0.806 -8.903 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.880 0.959 -7.280 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.586 -0.589 -7.799 1.00 0.00 H new ATOM 39 N TYR A 4 -8.448 0.671 -4.193 1.00 0.00 N ATOM 40 CA TYR A 4 -7.466 1.258 -3.305 1.00 0.00 C ATOM 41 C TYR A 4 -6.150 1.241 -4.088 1.00 0.00 C ATOM 42 O TYR A 4 -5.977 0.429 -5.006 1.00 0.00 O ATOM 43 CB TYR A 4 -7.344 0.463 -1.999 1.00 0.00 C ATOM 44 CG TYR A 4 -8.548 0.522 -1.075 1.00 0.00 C ATOM 45 CD1 TYR A 4 -9.579 -0.425 -1.202 1.00 0.00 C ATOM 46 CD2 TYR A 4 -8.643 1.524 -0.087 1.00 0.00 C ATOM 47 CE1 TYR A 4 -10.739 -0.308 -0.427 1.00 0.00 C ATOM 48 CE2 TYR A 4 -9.810 1.636 0.703 1.00 0.00 C ATOM 49 CZ TYR A 4 -10.878 0.723 0.516 1.00 0.00 C ATOM 50 OH TYR A 4 -12.054 0.790 1.204 1.00 0.00 O ATOM 0 H TYR A 4 -8.431 -0.349 -4.181 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.748 2.269 -3.010 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -7.151 -0.581 -2.248 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.473 0.827 -1.454 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -9.476 -1.244 -1.898 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -7.821 2.208 0.067 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -11.539 -1.022 -0.556 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -9.888 2.415 1.447 1.00 0.00 H new ATOM 0 HH TYR A 4 -12.026 1.546 1.827 1.00 0.00 H new ATOM 60 N LYS A 5 -5.192 2.080 -3.702 1.00 0.00 N ATOM 61 CA LYS A 5 -3.889 2.209 -4.348 1.00 0.00 C ATOM 62 C LYS A 5 -2.790 2.181 -3.307 1.00 0.00 C ATOM 63 O LYS A 5 -3.018 2.587 -2.168 1.00 0.00 O ATOM 64 CB LYS A 5 -3.829 3.530 -5.128 1.00 0.00 C ATOM 65 CG LYS A 5 -2.733 3.579 -6.212 1.00 0.00 C ATOM 66 CD LYS A 5 -1.889 4.856 -6.197 1.00 0.00 C ATOM 67 CE LYS A 5 -2.744 6.113 -6.388 1.00 0.00 C ATOM 68 NZ LYS A 5 -1.922 7.333 -6.517 1.00 0.00 N ATOM 0 H LYS A 5 -5.305 2.708 -2.906 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.748 1.375 -5.036 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.797 3.705 -5.598 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.664 4.346 -4.425 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.074 2.720 -6.085 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.202 3.479 -7.191 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.351 4.924 -5.251 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.139 4.804 -6.987 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.362 5.998 -7.278 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.422 6.221 -5.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.469 8.156 -6.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.064 7.237 -5.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.653 7.467 -7.513 1.00 0.00 H new ATOM 82 N LEU A 6 -1.634 1.635 -3.646 1.00 0.00 N ATOM 83 CA LEU A 6 -0.460 1.554 -2.787 1.00 0.00 C ATOM 84 C LEU A 6 0.670 2.247 -3.503 1.00 0.00 C ATOM 85 O LEU A 6 0.789 2.101 -4.718 1.00 0.00 O ATOM 86 CB LEU A 6 -0.061 0.098 -2.534 1.00 0.00 C ATOM 87 CG LEU A 6 1.253 -0.099 -1.738 1.00 0.00 C ATOM 88 CD1 LEU A 6 1.164 0.490 -0.323 1.00 0.00 C ATOM 89 CD2 LEU A 6 1.610 -1.589 -1.679 1.00 0.00 C ATOM 0 H LEU A 6 -1.480 1.219 -4.564 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.679 2.019 -1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.870 -0.395 -1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.036 -0.407 -3.495 1.00 0.00 H new ATOM 0 HG LEU A 6 2.042 0.441 -2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.108 0.329 0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.962 1.559 -0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.359 0.001 0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.535 -1.720 -1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.806 -2.136 -1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.743 -1.972 -2.691 1.00 0.00 H new ATOM 101 N ILE A 7 1.507 2.927 -2.735 1.00 0.00 N ATOM 102 CA ILE A 7 2.666 3.647 -3.198 1.00 0.00 C ATOM 103 C ILE A 7 3.843 3.095 -2.409 1.00 0.00 C ATOM 104 O ILE A 7 3.884 3.183 -1.185 1.00 0.00 O ATOM 105 CB ILE A 7 2.466 5.163 -3.048 1.00 0.00 C ATOM 106 CG1 ILE A 7 1.157 5.616 -3.730 1.00 0.00 C ATOM 107 CG2 ILE A 7 3.695 5.896 -3.615 1.00 0.00 C ATOM 108 CD1 ILE A 7 0.858 7.092 -3.510 1.00 0.00 C ATOM 0 H ILE A 7 1.384 2.990 -1.724 1.00 0.00 H new ATOM 0 HA ILE A 7 2.848 3.506 -4.263 1.00 0.00 H new ATOM 0 HB ILE A 7 2.372 5.416 -1.992 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.223 5.419 -4.800 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.328 5.021 -3.347 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.557 6.972 -3.510 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.586 5.590 -3.067 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.813 5.646 -4.669 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.074 7.353 -4.012 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.762 7.289 -2.442 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.671 7.693 -3.918 1.00 0.00 H new ATOM 120 N LEU A 8 4.736 2.417 -3.115 1.00 0.00 N ATOM 121 CA LEU A 8 5.945 1.816 -2.595 1.00 0.00 C ATOM 122 C LEU A 8 7.017 2.880 -2.780 1.00 0.00 C ATOM 123 O LEU A 8 7.411 3.153 -3.915 1.00 0.00 O ATOM 124 CB LEU A 8 6.311 0.571 -3.426 1.00 0.00 C ATOM 125 CG LEU A 8 5.309 -0.586 -3.340 1.00 0.00 C ATOM 126 CD1 LEU A 8 5.580 -1.610 -4.451 1.00 0.00 C ATOM 127 CD2 LEU A 8 5.344 -1.295 -1.992 1.00 0.00 C ATOM 0 H LEU A 8 4.626 2.266 -4.118 1.00 0.00 H new ATOM 0 HA LEU A 8 5.837 1.504 -1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.412 0.867 -4.470 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.287 0.211 -3.101 1.00 0.00 H new ATOM 0 HG LEU A 8 4.319 -0.147 -3.462 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.861 -2.426 -4.377 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.482 -1.127 -5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.590 -2.006 -4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.615 -2.105 -1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.340 -1.703 -1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.102 -0.585 -1.201 1.00 0.00 H new ATOM 139 N ASN A 9 7.445 3.509 -1.695 1.00 0.00 N ATOM 140 CA ASN A 9 8.483 4.534 -1.690 1.00 0.00 C ATOM 141 C ASN A 9 9.661 3.922 -0.929 1.00 0.00 C ATOM 142 O ASN A 9 9.944 4.320 0.197 1.00 0.00 O ATOM 143 CB ASN A 9 7.991 5.810 -0.973 1.00 0.00 C ATOM 144 CG ASN A 9 7.164 6.772 -1.798 1.00 0.00 C ATOM 145 OD1 ASN A 9 7.060 6.670 -3.016 1.00 0.00 O ATOM 146 ND2 ASN A 9 6.581 7.749 -1.128 1.00 0.00 N ATOM 0 H ASN A 9 7.070 3.316 -0.766 1.00 0.00 H new ATOM 0 HA ASN A 9 8.758 4.826 -2.703 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.401 5.509 -0.107 1.00 0.00 H new ATOM 0 HB3 ASN A 9 8.862 6.346 -0.595 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.025 8.446 -1.623 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.686 7.807 -0.115 1.00 0.00 H new ATOM 153 N GLY A 10 10.398 2.983 -1.523 1.00 0.00 N ATOM 154 CA GLY A 10 11.522 2.364 -0.830 1.00 0.00 C ATOM 155 C GLY A 10 12.855 2.998 -1.189 1.00 0.00 C ATOM 156 O GLY A 10 13.021 3.583 -2.261 1.00 0.00 O ATOM 0 H GLY A 10 10.238 2.640 -2.470 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.366 2.440 0.246 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.553 1.302 -1.073 1.00 0.00 H new ATOM 160 N LYS A 11 13.845 2.856 -0.304 1.00 0.00 N ATOM 161 CA LYS A 11 15.188 3.392 -0.526 1.00 0.00 C ATOM 162 C LYS A 11 15.899 2.642 -1.649 1.00 0.00 C ATOM 163 O LYS A 11 16.925 3.122 -2.136 1.00 0.00 O ATOM 164 CB LYS A 11 16.026 3.366 0.759 1.00 0.00 C ATOM 165 CG LYS A 11 15.372 4.150 1.906 1.00 0.00 C ATOM 166 CD LYS A 11 16.134 4.111 3.232 1.00 0.00 C ATOM 167 CE LYS A 11 17.580 4.551 3.022 1.00 0.00 C ATOM 168 NZ LYS A 11 18.341 4.611 4.282 1.00 0.00 N ATOM 0 H LYS A 11 13.737 2.367 0.585 1.00 0.00 H new ATOM 0 HA LYS A 11 15.076 4.433 -0.828 1.00 0.00 H new ATOM 0 HB2 LYS A 11 16.176 2.332 1.070 1.00 0.00 H new ATOM 0 HB3 LYS A 11 17.012 3.784 0.554 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.261 5.190 1.598 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.369 3.757 2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.649 4.764 3.958 1.00 0.00 H new ATOM 0 HD3 LYS A 11 16.109 3.102 3.644 1.00 0.00 H new ATOM 0 HE2 LYS A 11 18.071 3.859 2.338 1.00 0.00 H new ATOM 0 HE3 LYS A 11 17.592 5.532 2.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 19.316 4.915 4.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 17.891 5.291 4.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 18.354 3.670 4.725 1.00 0.00 H new ATOM 182 N THR A 12 15.356 1.512 -2.094 1.00 0.00 N ATOM 183 CA THR A 12 15.894 0.690 -3.158 1.00 0.00 C ATOM 184 C THR A 12 14.815 0.299 -4.168 1.00 0.00 C ATOM 185 O THR A 12 15.089 0.347 -5.366 1.00 0.00 O ATOM 186 CB THR A 12 16.623 -0.530 -2.571 1.00 0.00 C ATOM 187 OG1 THR A 12 15.780 -1.356 -1.792 1.00 0.00 O ATOM 188 CG2 THR A 12 17.796 -0.132 -1.683 1.00 0.00 C ATOM 0 H THR A 12 14.493 1.134 -1.702 1.00 0.00 H new ATOM 0 HA THR A 12 16.627 1.276 -3.712 1.00 0.00 H new ATOM 0 HB THR A 12 16.973 -1.078 -3.446 1.00 0.00 H new ATOM 0 HG1 THR A 12 16.294 -2.115 -1.446 1.00 0.00 H new ATOM 0 HG21 THR A 12 18.278 -1.029 -1.293 1.00 0.00 H new ATOM 0 HG22 THR A 12 18.516 0.442 -2.267 1.00 0.00 H new ATOM 0 HG23 THR A 12 17.435 0.476 -0.853 1.00 0.00 H new ATOM 196 N LEU A 13 13.585 -0.025 -3.745 1.00 0.00 N ATOM 197 CA LEU A 13 12.531 -0.433 -4.675 1.00 0.00 C ATOM 198 C LEU A 13 11.317 0.441 -4.496 1.00 0.00 C ATOM 199 O LEU A 13 10.852 0.666 -3.379 1.00 0.00 O ATOM 200 CB LEU A 13 12.199 -1.907 -4.453 1.00 0.00 C ATOM 201 CG LEU A 13 11.213 -2.496 -5.479 1.00 0.00 C ATOM 202 CD1 LEU A 13 11.516 -3.991 -5.596 1.00 0.00 C ATOM 203 CD2 LEU A 13 9.736 -2.319 -5.090 1.00 0.00 C ATOM 0 H LEU A 13 13.299 -0.011 -2.766 1.00 0.00 H new ATOM 0 HA LEU A 13 12.877 -0.312 -5.702 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.123 -2.484 -4.482 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.780 -2.027 -3.454 1.00 0.00 H new ATOM 0 HG LEU A 13 11.349 -1.961 -6.419 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.835 -4.445 -6.316 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.544 -4.129 -5.931 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.385 -4.466 -4.624 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.102 -2.758 -5.860 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.548 -2.816 -4.138 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.509 -1.257 -4.996 1.00 0.00 H new ATOM 215 N LYS A 14 10.792 0.936 -5.612 1.00 0.00 N ATOM 216 CA LYS A 14 9.629 1.800 -5.627 1.00 0.00 C ATOM 217 C LYS A 14 8.662 1.322 -6.689 1.00 0.00 C ATOM 218 O LYS A 14 9.037 0.601 -7.621 1.00 0.00 O ATOM 219 CB LYS A 14 10.055 3.259 -5.862 1.00 0.00 C ATOM 220 CG LYS A 14 10.979 3.792 -4.749 1.00 0.00 C ATOM 221 CD LYS A 14 11.908 4.910 -5.201 1.00 0.00 C ATOM 222 CE LYS A 14 12.957 4.360 -6.173 1.00 0.00 C ATOM 223 NZ LYS A 14 13.849 5.428 -6.661 1.00 0.00 N ATOM 0 H LYS A 14 11.170 0.743 -6.539 1.00 0.00 H new ATOM 0 HA LYS A 14 9.125 1.758 -4.662 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.567 3.334 -6.821 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.167 3.888 -5.924 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.366 4.154 -3.924 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.579 2.968 -4.363 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.332 5.700 -5.683 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.400 5.357 -4.337 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.547 3.589 -5.677 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.459 3.885 -7.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.548 5.024 -7.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.287 6.150 -7.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.342 5.864 -5.855 1.00 0.00 H new ATOM 237 N GLY A 15 7.417 1.744 -6.568 1.00 0.00 N ATOM 238 CA GLY A 15 6.372 1.382 -7.500 1.00 0.00 C ATOM 239 C GLY A 15 5.018 1.793 -6.956 1.00 0.00 C ATOM 240 O GLY A 15 4.936 2.523 -5.963 1.00 0.00 O ATOM 0 H GLY A 15 7.103 2.353 -5.812 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.548 1.866 -8.461 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.389 0.307 -7.677 1.00 0.00 H new ATOM 244 N GLU A 16 3.959 1.358 -7.625 1.00 0.00 N ATOM 245 CA GLU A 16 2.572 1.610 -7.271 1.00 0.00 C ATOM 246 C GLU A 16 1.761 0.390 -7.712 1.00 0.00 C ATOM 247 O GLU A 16 2.150 -0.308 -8.652 1.00 0.00 O ATOM 248 CB GLU A 16 2.018 2.905 -7.907 1.00 0.00 C ATOM 249 CG GLU A 16 2.593 4.157 -7.225 1.00 0.00 C ATOM 250 CD GLU A 16 1.882 5.483 -7.514 1.00 0.00 C ATOM 251 OE1 GLU A 16 0.849 5.513 -8.211 1.00 0.00 O ATOM 252 OE2 GLU A 16 2.331 6.520 -6.972 1.00 0.00 O ATOM 0 H GLU A 16 4.050 0.793 -8.469 1.00 0.00 H new ATOM 0 HA GLU A 16 2.497 1.762 -6.194 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.262 2.923 -8.969 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.931 2.914 -7.829 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.583 3.993 -6.147 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.637 4.258 -7.523 1.00 0.00 H new ATOM 259 N THR A 17 0.671 0.085 -7.013 1.00 0.00 N ATOM 260 CA THR A 17 -0.206 -1.035 -7.330 1.00 0.00 C ATOM 261 C THR A 17 -1.616 -0.699 -6.838 1.00 0.00 C ATOM 262 O THR A 17 -1.779 0.220 -6.035 1.00 0.00 O ATOM 263 CB THR A 17 0.361 -2.349 -6.751 1.00 0.00 C ATOM 264 OG1 THR A 17 -0.299 -3.432 -7.373 1.00 0.00 O ATOM 265 CG2 THR A 17 0.268 -2.462 -5.220 1.00 0.00 C ATOM 0 H THR A 17 0.369 0.618 -6.198 1.00 0.00 H new ATOM 0 HA THR A 17 -0.262 -1.196 -8.407 1.00 0.00 H new ATOM 0 HB THR A 17 1.430 -2.362 -6.966 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.051 -4.276 -7.018 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.689 -3.415 -4.899 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.826 -1.646 -4.760 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.777 -2.405 -4.914 1.00 0.00 H new ATOM 273 N THR A 18 -2.633 -1.448 -7.258 1.00 0.00 N ATOM 274 CA THR A 18 -4.013 -1.215 -6.856 1.00 0.00 C ATOM 275 C THR A 18 -4.717 -2.544 -6.596 1.00 0.00 C ATOM 276 O THR A 18 -4.361 -3.570 -7.195 1.00 0.00 O ATOM 277 CB THR A 18 -4.762 -0.454 -7.975 1.00 0.00 C ATOM 278 OG1 THR A 18 -4.519 -1.033 -9.246 1.00 0.00 O ATOM 279 CG2 THR A 18 -4.357 1.017 -8.075 1.00 0.00 C ATOM 0 H THR A 18 -2.519 -2.239 -7.892 1.00 0.00 H new ATOM 0 HA THR A 18 -4.015 -0.621 -5.942 1.00 0.00 H new ATOM 0 HB THR A 18 -5.815 -0.524 -7.702 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.007 -0.532 -9.932 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.918 1.495 -8.878 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.574 1.519 -7.132 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.290 1.087 -8.286 1.00 0.00 H new ATOM 287 N THR A 19 -5.678 -2.549 -5.676 1.00 0.00 N ATOM 288 CA THR A 19 -6.475 -3.727 -5.360 1.00 0.00 C ATOM 289 C THR A 19 -7.882 -3.250 -5.000 1.00 0.00 C ATOM 290 O THR A 19 -8.041 -2.124 -4.519 1.00 0.00 O ATOM 291 CB THR A 19 -5.784 -4.573 -4.266 1.00 0.00 C ATOM 292 OG1 THR A 19 -6.189 -5.926 -4.320 1.00 0.00 O ATOM 293 CG2 THR A 19 -6.044 -4.070 -2.845 1.00 0.00 C ATOM 0 H THR A 19 -5.926 -1.727 -5.125 1.00 0.00 H new ATOM 0 HA THR A 19 -6.561 -4.400 -6.213 1.00 0.00 H new ATOM 0 HB THR A 19 -4.720 -4.477 -4.482 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.528 -6.484 -3.859 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.528 -4.712 -2.132 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.675 -3.049 -2.747 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.115 -4.090 -2.642 1.00 0.00 H new ATOM 301 N GLU A 20 -8.912 -4.050 -5.267 1.00 0.00 N ATOM 302 CA GLU A 20 -10.279 -3.702 -4.912 1.00 0.00 C ATOM 303 C GLU A 20 -10.543 -4.505 -3.658 1.00 0.00 C ATOM 304 O GLU A 20 -10.675 -5.726 -3.730 1.00 0.00 O ATOM 305 CB GLU A 20 -11.288 -4.003 -6.017 1.00 0.00 C ATOM 306 CG GLU A 20 -11.291 -2.836 -7.003 1.00 0.00 C ATOM 307 CD GLU A 20 -12.300 -3.022 -8.124 1.00 0.00 C ATOM 308 OE1 GLU A 20 -13.513 -3.132 -7.842 1.00 0.00 O ATOM 309 OE2 GLU A 20 -11.880 -2.989 -9.308 1.00 0.00 O ATOM 0 H GLU A 20 -8.820 -4.952 -5.733 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.395 -2.629 -4.758 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.025 -4.929 -6.528 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.283 -4.144 -5.594 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.514 -1.913 -6.468 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.295 -2.724 -7.431 1.00 0.00 H new ATOM 316 N ALA A 21 -10.554 -3.819 -2.521 1.00 0.00 N ATOM 317 CA ALA A 21 -10.766 -4.409 -1.210 1.00 0.00 C ATOM 318 C ALA A 21 -12.134 -4.024 -0.678 1.00 0.00 C ATOM 319 O ALA A 21 -12.668 -2.984 -1.058 1.00 0.00 O ATOM 320 CB ALA A 21 -9.709 -3.877 -0.244 1.00 0.00 C ATOM 0 H ALA A 21 -10.412 -2.810 -2.488 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.698 -5.493 -1.297 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.863 -4.316 0.742 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.717 -4.142 -0.608 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.792 -2.792 -0.175 1.00 0.00 H new ATOM 326 N VAL A 22 -12.671 -4.829 0.233 1.00 0.00 N ATOM 327 CA VAL A 22 -13.973 -4.580 0.853 1.00 0.00 C ATOM 328 C VAL A 22 -13.875 -3.444 1.869 1.00 0.00 C ATOM 329 O VAL A 22 -14.758 -2.588 1.919 1.00 0.00 O ATOM 330 CB VAL A 22 -14.560 -5.843 1.515 1.00 0.00 C ATOM 331 CG1 VAL A 22 -15.013 -6.838 0.441 1.00 0.00 C ATOM 332 CG2 VAL A 22 -13.620 -6.540 2.516 1.00 0.00 C ATOM 0 H VAL A 22 -12.214 -5.678 0.566 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.655 -4.288 0.055 1.00 0.00 H new ATOM 0 HB VAL A 22 -15.411 -5.497 2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.426 -7.726 0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -15.776 -6.375 -0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -14.160 -7.121 -0.176 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.116 -7.417 2.931 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -12.708 -6.847 2.005 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -13.370 -5.850 3.321 1.00 0.00 H new ATOM 342 N ASP A 23 -12.784 -3.388 2.627 1.00 0.00 N ATOM 343 CA ASP A 23 -12.555 -2.393 3.661 1.00 0.00 C ATOM 344 C ASP A 23 -11.101 -1.977 3.617 1.00 0.00 C ATOM 345 O ASP A 23 -10.260 -2.689 3.052 1.00 0.00 O ATOM 346 CB ASP A 23 -12.797 -3.012 5.051 1.00 0.00 C ATOM 347 CG ASP A 23 -14.236 -3.436 5.315 1.00 0.00 C ATOM 348 OD1 ASP A 23 -15.120 -2.552 5.341 1.00 0.00 O ATOM 349 OD2 ASP A 23 -14.460 -4.646 5.553 1.00 0.00 O ATOM 0 H ASP A 23 -12.016 -4.053 2.534 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.226 -1.551 3.493 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.149 -3.881 5.165 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.499 -2.291 5.812 1.00 0.00 H new ATOM 354 N ALA A 24 -10.799 -0.850 4.266 1.00 0.00 N ATOM 355 CA ALA A 24 -9.435 -0.360 4.329 1.00 0.00 C ATOM 356 C ALA A 24 -8.572 -1.370 5.103 1.00 0.00 C ATOM 357 O ALA A 24 -7.375 -1.437 4.848 1.00 0.00 O ATOM 358 CB ALA A 24 -9.408 1.029 4.971 1.00 0.00 C ATOM 0 H ALA A 24 -11.482 -0.268 4.751 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.023 -0.261 3.325 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.380 1.390 5.015 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.009 1.717 4.376 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.815 0.971 5.980 1.00 0.00 H new ATOM 364 N ALA A 25 -9.156 -2.185 5.997 1.00 0.00 N ATOM 365 CA ALA A 25 -8.404 -3.180 6.755 1.00 0.00 C ATOM 366 C ALA A 25 -7.906 -4.259 5.796 1.00 0.00 C ATOM 367 O ALA A 25 -6.726 -4.599 5.791 1.00 0.00 O ATOM 368 CB ALA A 25 -9.276 -3.796 7.858 1.00 0.00 C ATOM 0 H ALA A 25 -10.154 -2.168 6.208 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.552 -2.701 7.237 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.696 -4.535 8.411 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.608 -3.013 8.539 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.144 -4.279 7.409 1.00 0.00 H new ATOM 374 N THR A 26 -8.794 -4.806 4.965 1.00 0.00 N ATOM 375 CA THR A 26 -8.451 -5.833 3.992 1.00 0.00 C ATOM 376 C THR A 26 -7.374 -5.296 3.047 1.00 0.00 C ATOM 377 O THR A 26 -6.433 -6.033 2.731 1.00 0.00 O ATOM 378 CB THR A 26 -9.715 -6.216 3.221 1.00 0.00 C ATOM 379 OG1 THR A 26 -10.793 -6.413 4.117 1.00 0.00 O ATOM 380 CG2 THR A 26 -9.555 -7.464 2.357 1.00 0.00 C ATOM 0 H THR A 26 -9.780 -4.543 4.952 1.00 0.00 H new ATOM 0 HA THR A 26 -8.057 -6.719 4.490 1.00 0.00 H new ATOM 0 HB THR A 26 -9.915 -5.383 2.547 1.00 0.00 H new ATOM 0 HG1 THR A 26 -11.323 -7.184 3.826 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.493 -7.672 1.841 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.766 -7.300 1.623 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.292 -8.313 2.989 1.00 0.00 H new ATOM 388 N ALA A 27 -7.515 -4.028 2.635 1.00 0.00 N ATOM 389 CA ALA A 27 -6.587 -3.357 1.746 1.00 0.00 C ATOM 390 C ALA A 27 -5.220 -3.265 2.410 1.00 0.00 C ATOM 391 O ALA A 27 -4.236 -3.721 1.837 1.00 0.00 O ATOM 392 CB ALA A 27 -7.121 -1.956 1.410 1.00 0.00 C ATOM 0 H ALA A 27 -8.296 -3.438 2.922 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.487 -3.924 0.821 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.423 -1.451 0.742 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.092 -2.044 0.922 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.227 -1.377 2.328 1.00 0.00 H new ATOM 398 N GLU A 28 -5.168 -2.759 3.643 1.00 0.00 N ATOM 399 CA GLU A 28 -3.942 -2.583 4.404 1.00 0.00 C ATOM 400 C GLU A 28 -3.168 -3.897 4.516 1.00 0.00 C ATOM 401 O GLU A 28 -1.957 -3.936 4.295 1.00 0.00 O ATOM 402 CB GLU A 28 -4.281 -2.012 5.792 1.00 0.00 C ATOM 403 CG GLU A 28 -3.024 -1.523 6.514 1.00 0.00 C ATOM 404 CD GLU A 28 -3.333 -0.876 7.855 1.00 0.00 C ATOM 405 OE1 GLU A 28 -3.428 -1.615 8.869 1.00 0.00 O ATOM 406 OE2 GLU A 28 -3.419 0.373 7.915 1.00 0.00 O ATOM 0 H GLU A 28 -6.001 -2.454 4.148 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.296 -1.878 3.881 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.986 -1.188 5.686 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.773 -2.777 6.392 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.348 -2.364 6.668 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.502 -0.806 5.881 1.00 0.00 H new ATOM 413 N LYS A 29 -3.863 -4.988 4.829 1.00 0.00 N ATOM 414 CA LYS A 29 -3.261 -6.304 4.983 1.00 0.00 C ATOM 415 C LYS A 29 -2.713 -6.798 3.652 1.00 0.00 C ATOM 416 O LYS A 29 -1.575 -7.263 3.592 1.00 0.00 O ATOM 417 CB LYS A 29 -4.306 -7.263 5.558 1.00 0.00 C ATOM 418 CG LYS A 29 -4.720 -6.875 6.985 1.00 0.00 C ATOM 419 CD LYS A 29 -5.828 -7.771 7.538 1.00 0.00 C ATOM 420 CE LYS A 29 -7.172 -7.626 6.821 1.00 0.00 C ATOM 421 NZ LYS A 29 -8.213 -8.489 7.417 1.00 0.00 N ATOM 0 H LYS A 29 -4.871 -4.980 4.984 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.420 -6.250 5.674 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.186 -7.269 4.914 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.906 -8.277 5.560 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.851 -6.932 7.640 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.058 -5.839 6.993 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.505 -8.810 7.473 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.967 -7.546 8.595 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.495 -6.586 6.863 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.050 -7.879 5.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.107 -8.360 6.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.917 -9.484 7.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.348 -8.231 8.415 1.00 0.00 H new ATOM 435 N VAL A 30 -3.506 -6.705 2.582 1.00 0.00 N ATOM 436 CA VAL A 30 -3.057 -7.150 1.264 1.00 0.00 C ATOM 437 C VAL A 30 -1.841 -6.341 0.821 1.00 0.00 C ATOM 438 O VAL A 30 -0.839 -6.907 0.388 1.00 0.00 O ATOM 439 CB VAL A 30 -4.239 -7.070 0.282 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.861 -6.978 -1.195 1.00 0.00 C ATOM 441 CG2 VAL A 30 -5.086 -8.323 0.493 1.00 0.00 C ATOM 0 H VAL A 30 -4.454 -6.329 2.603 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.730 -8.189 1.295 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.766 -6.141 0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.766 -6.926 -1.800 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.262 -6.083 -1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.285 -7.859 -1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.938 -8.305 -0.187 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.482 -9.208 0.295 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.444 -8.351 1.522 1.00 0.00 H new ATOM 451 N PHE A 31 -1.906 -5.020 0.946 1.00 0.00 N ATOM 452 CA PHE A 31 -0.819 -4.147 0.556 1.00 0.00 C ATOM 453 C PHE A 31 0.434 -4.429 1.373 1.00 0.00 C ATOM 454 O PHE A 31 1.516 -4.439 0.791 1.00 0.00 O ATOM 455 CB PHE A 31 -1.278 -2.699 0.637 1.00 0.00 C ATOM 456 CG PHE A 31 -2.313 -2.329 -0.412 1.00 0.00 C ATOM 457 CD1 PHE A 31 -2.126 -2.645 -1.776 1.00 0.00 C ATOM 458 CD2 PHE A 31 -3.438 -1.584 -0.027 1.00 0.00 C ATOM 459 CE1 PHE A 31 -3.011 -2.146 -2.746 1.00 0.00 C ATOM 460 CE2 PHE A 31 -4.308 -1.076 -0.999 1.00 0.00 C ATOM 461 CZ PHE A 31 -4.083 -1.328 -2.361 1.00 0.00 C ATOM 0 H PHE A 31 -2.718 -4.529 1.322 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.542 -4.344 -0.480 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.694 -2.513 1.627 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.412 -2.046 0.528 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.299 -3.273 -2.074 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.633 -1.402 1.020 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.866 -2.392 -3.788 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.160 -0.485 -0.698 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.731 -0.895 -3.108 1.00 0.00 H new ATOM 471 N LYS A 32 0.316 -4.685 2.682 1.00 0.00 N ATOM 472 CA LYS A 32 1.472 -5.002 3.512 1.00 0.00 C ATOM 473 C LYS A 32 2.189 -6.206 2.933 1.00 0.00 C ATOM 474 O LYS A 32 3.402 -6.152 2.744 1.00 0.00 O ATOM 475 CB LYS A 32 1.069 -5.267 4.970 1.00 0.00 C ATOM 476 CG LYS A 32 1.130 -3.984 5.808 1.00 0.00 C ATOM 477 CD LYS A 32 1.419 -4.314 7.269 1.00 0.00 C ATOM 478 CE LYS A 32 1.518 -3.020 8.074 1.00 0.00 C ATOM 479 NZ LYS A 32 1.885 -3.299 9.469 1.00 0.00 N ATOM 0 H LYS A 32 -0.572 -4.677 3.184 1.00 0.00 H new ATOM 0 HA LYS A 32 2.141 -4.141 3.514 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.059 -5.677 5.002 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.731 -6.018 5.402 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.905 -3.324 5.418 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.185 -3.447 5.730 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.629 -4.947 7.673 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.349 -4.876 7.349 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.261 -2.362 7.623 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.564 -2.493 8.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.946 -2.405 9.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.163 -3.909 9.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.806 -3.781 9.496 1.00 0.00 H new ATOM 493 N GLN A 33 1.444 -7.264 2.612 1.00 0.00 N ATOM 494 CA GLN A 33 2.002 -8.482 2.069 1.00 0.00 C ATOM 495 C GLN A 33 2.713 -8.165 0.760 1.00 0.00 C ATOM 496 O GLN A 33 3.791 -8.708 0.524 1.00 0.00 O ATOM 497 CB GLN A 33 0.871 -9.512 1.875 1.00 0.00 C ATOM 498 CG GLN A 33 1.309 -10.844 1.244 1.00 0.00 C ATOM 499 CD GLN A 33 1.988 -11.785 2.233 1.00 0.00 C ATOM 500 OE1 GLN A 33 3.268 -11.595 2.483 1.00 0.00 O flip ATOM 501 NE2 GLN A 33 1.364 -12.705 2.766 1.00 0.00 N flip ATOM 0 H GLN A 33 0.431 -7.290 2.726 1.00 0.00 H new ATOM 0 HA GLN A 33 2.734 -8.911 2.753 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.417 -9.718 2.844 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.098 -9.067 1.249 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.437 -11.341 0.820 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.992 -10.640 0.419 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.374 -12.836 2.560 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.838 -13.335 3.413 1.00 0.00 H new ATOM 510 N TYR A 34 2.119 -7.304 -0.070 1.00 0.00 N ATOM 511 CA TYR A 34 2.692 -6.950 -1.362 1.00 0.00 C ATOM 512 C TYR A 34 3.997 -6.179 -1.216 1.00 0.00 C ATOM 513 O TYR A 34 4.972 -6.444 -1.905 1.00 0.00 O ATOM 514 CB TYR A 34 1.679 -6.138 -2.173 1.00 0.00 C ATOM 515 CG TYR A 34 1.980 -6.106 -3.657 1.00 0.00 C ATOM 516 CD1 TYR A 34 1.598 -7.199 -4.454 1.00 0.00 C ATOM 517 CD2 TYR A 34 2.614 -4.994 -4.249 1.00 0.00 C ATOM 518 CE1 TYR A 34 1.792 -7.158 -5.842 1.00 0.00 C ATOM 519 CE2 TYR A 34 2.793 -4.941 -5.646 1.00 0.00 C ATOM 520 CZ TYR A 34 2.350 -6.015 -6.451 1.00 0.00 C ATOM 521 OH TYR A 34 2.389 -5.927 -7.809 1.00 0.00 O ATOM 0 H TYR A 34 1.235 -6.839 0.136 1.00 0.00 H new ATOM 0 HA TYR A 34 2.923 -7.875 -1.890 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.684 -6.557 -2.021 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.656 -5.117 -1.793 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.155 -8.071 -3.997 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.963 -4.181 -3.630 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.512 -8.007 -6.448 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.267 -4.083 -6.100 1.00 0.00 H new ATOM 0 HH TYR A 34 2.803 -5.078 -8.070 1.00 0.00 H new ATOM 531 N ALA A 35 4.048 -5.202 -0.324 1.00 0.00 N ATOM 532 CA ALA A 35 5.254 -4.415 -0.139 1.00 0.00 C ATOM 533 C ALA A 35 6.368 -5.265 0.452 1.00 0.00 C ATOM 534 O ALA A 35 7.480 -5.246 -0.068 1.00 0.00 O ATOM 535 CB ALA A 35 4.932 -3.234 0.747 1.00 0.00 C ATOM 0 H ALA A 35 3.270 -4.937 0.281 1.00 0.00 H new ATOM 0 HA ALA A 35 5.608 -4.051 -1.104 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.830 -2.634 0.894 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.162 -2.624 0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.572 -3.591 1.712 1.00 0.00 H new ATOM 541 N ASN A 36 6.059 -6.040 1.494 1.00 0.00 N ATOM 542 CA ASN A 36 7.020 -6.911 2.163 1.00 0.00 C ATOM 543 C ASN A 36 7.571 -7.944 1.182 1.00 0.00 C ATOM 544 O ASN A 36 8.711 -8.372 1.328 1.00 0.00 O ATOM 545 CB ASN A 36 6.388 -7.562 3.410 1.00 0.00 C ATOM 546 CG ASN A 36 6.350 -9.084 3.409 1.00 0.00 C ATOM 547 OD1 ASN A 36 6.990 -9.718 4.235 1.00 0.00 O ATOM 548 ND2 ASN A 36 5.609 -9.714 2.514 1.00 0.00 N ATOM 0 H ASN A 36 5.124 -6.079 1.899 1.00 0.00 H new ATOM 0 HA ASN A 36 7.863 -6.314 2.511 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.940 -7.231 4.290 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.368 -7.191 3.514 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.570 -10.733 2.511 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.076 -9.181 1.827 1.00 0.00 H new ATOM 555 N ASP A 37 6.774 -8.326 0.180 1.00 0.00 N ATOM 556 CA ASP A 37 7.163 -9.288 -0.845 1.00 0.00 C ATOM 557 C ASP A 37 8.307 -8.691 -1.659 1.00 0.00 C ATOM 558 O ASP A 37 9.297 -9.363 -1.947 1.00 0.00 O ATOM 559 CB ASP A 37 5.979 -9.618 -1.753 1.00 0.00 C ATOM 560 CG ASP A 37 6.438 -10.546 -2.872 1.00 0.00 C ATOM 561 OD1 ASP A 37 6.820 -11.699 -2.563 1.00 0.00 O ATOM 562 OD2 ASP A 37 6.476 -10.107 -4.049 1.00 0.00 O ATOM 0 H ASP A 37 5.827 -7.968 0.060 1.00 0.00 H new ATOM 0 HA ASP A 37 7.487 -10.215 -0.373 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.186 -10.092 -1.175 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.563 -8.702 -2.173 1.00 0.00 H new ATOM 567 N ASN A 38 8.171 -7.408 -2.005 1.00 0.00 N ATOM 568 CA ASN A 38 9.168 -6.645 -2.753 1.00 0.00 C ATOM 569 C ASN A 38 10.295 -6.179 -1.818 1.00 0.00 C ATOM 570 O ASN A 38 11.243 -5.531 -2.259 1.00 0.00 O ATOM 571 CB ASN A 38 8.525 -5.440 -3.453 1.00 0.00 C ATOM 572 CG ASN A 38 7.538 -5.858 -4.529 1.00 0.00 C ATOM 573 OD1 ASN A 38 7.918 -6.237 -5.633 1.00 0.00 O ATOM 574 ND2 ASN A 38 6.258 -5.821 -4.214 1.00 0.00 N ATOM 0 H ASN A 38 7.344 -6.860 -1.766 1.00 0.00 H new ATOM 0 HA ASN A 38 9.591 -7.297 -3.517 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.014 -4.823 -2.714 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.305 -4.823 -3.899 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.557 -6.112 -4.895 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.969 -5.502 -3.289 1.00 0.00 H new ATOM 581 N GLY A 39 10.190 -6.456 -0.517 1.00 0.00 N ATOM 582 CA GLY A 39 11.168 -6.106 0.496 1.00 0.00 C ATOM 583 C GLY A 39 11.073 -4.669 0.985 1.00 0.00 C ATOM 584 O GLY A 39 12.060 -4.140 1.503 1.00 0.00 O ATOM 0 H GLY A 39 9.385 -6.951 -0.132 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.048 -6.776 1.347 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.167 -6.276 0.094 1.00 0.00 H new ATOM 588 N VAL A 40 9.919 -4.038 0.796 1.00 0.00 N ATOM 589 CA VAL A 40 9.621 -2.672 1.190 1.00 0.00 C ATOM 590 C VAL A 40 8.895 -2.748 2.529 1.00 0.00 C ATOM 591 O VAL A 40 7.793 -3.295 2.619 1.00 0.00 O ATOM 592 CB VAL A 40 8.753 -1.975 0.127 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.533 -0.502 0.504 1.00 0.00 C ATOM 594 CG2 VAL A 40 9.341 -2.078 -1.285 1.00 0.00 C ATOM 0 H VAL A 40 9.128 -4.492 0.340 1.00 0.00 H new ATOM 0 HA VAL A 40 10.534 -2.084 1.282 1.00 0.00 H new ATOM 0 HB VAL A 40 7.796 -2.497 0.109 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.918 -0.020 -0.256 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.029 -0.445 1.469 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.496 0.005 0.567 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.685 -1.568 -1.990 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.326 -1.612 -1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.431 -3.127 -1.566 1.00 0.00 H new ATOM 604 N ASP A 41 9.514 -2.195 3.567 1.00 0.00 N ATOM 605 CA ASP A 41 8.968 -2.180 4.913 1.00 0.00 C ATOM 606 C ASP A 41 9.472 -0.921 5.594 1.00 0.00 C ATOM 607 O ASP A 41 10.589 -0.876 6.116 1.00 0.00 O ATOM 608 CB ASP A 41 9.392 -3.444 5.646 1.00 0.00 C ATOM 609 CG ASP A 41 9.023 -3.390 7.121 1.00 0.00 C ATOM 610 OD1 ASP A 41 7.888 -2.969 7.445 1.00 0.00 O ATOM 611 OD2 ASP A 41 9.840 -3.876 7.933 1.00 0.00 O ATOM 0 H ASP A 41 10.423 -1.738 3.492 1.00 0.00 H new ATOM 0 HA ASP A 41 7.878 -2.167 4.909 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.917 -4.309 5.184 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.469 -3.579 5.545 1.00 0.00 H new ATOM 616 N GLY A 42 8.669 0.131 5.490 1.00 0.00 N ATOM 617 CA GLY A 42 8.951 1.439 6.039 1.00 0.00 C ATOM 618 C GLY A 42 7.781 1.960 6.848 1.00 0.00 C ATOM 619 O GLY A 42 7.053 1.203 7.489 1.00 0.00 O ATOM 0 H GLY A 42 7.774 0.089 5.003 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.838 1.387 6.670 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.175 2.135 5.230 1.00 0.00 H new ATOM 623 N GLU A 43 7.651 3.277 6.853 1.00 0.00 N ATOM 624 CA GLU A 43 6.614 4.010 7.538 1.00 0.00 C ATOM 625 C GLU A 43 5.381 4.024 6.639 1.00 0.00 C ATOM 626 O GLU A 43 5.425 4.570 5.535 1.00 0.00 O ATOM 627 CB GLU A 43 7.140 5.424 7.813 1.00 0.00 C ATOM 628 CG GLU A 43 6.139 6.311 8.567 1.00 0.00 C ATOM 629 CD GLU A 43 6.628 7.756 8.692 1.00 0.00 C ATOM 630 OE1 GLU A 43 7.813 8.054 8.390 1.00 0.00 O ATOM 631 OE2 GLU A 43 5.825 8.640 9.068 1.00 0.00 O ATOM 0 H GLU A 43 8.299 3.887 6.354 1.00 0.00 H new ATOM 0 HA GLU A 43 6.341 3.555 8.490 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.061 5.355 8.392 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.394 5.900 6.866 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.181 6.297 8.048 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.969 5.899 9.562 1.00 0.00 H new ATOM 638 N TRP A 44 4.309 3.367 7.070 1.00 0.00 N ATOM 639 CA TRP A 44 3.059 3.301 6.334 1.00 0.00 C ATOM 640 C TRP A 44 2.194 4.523 6.667 1.00 0.00 C ATOM 641 O TRP A 44 2.035 4.879 7.841 1.00 0.00 O ATOM 642 CB TRP A 44 2.333 1.985 6.659 1.00 0.00 C ATOM 643 CG TRP A 44 3.003 0.748 6.130 1.00 0.00 C ATOM 644 CD1 TRP A 44 4.136 0.203 6.627 1.00 0.00 C ATOM 645 CD2 TRP A 44 2.665 -0.067 4.963 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.516 -0.884 5.873 1.00 0.00 N ATOM 647 CE2 TRP A 44 3.664 -1.073 4.812 1.00 0.00 C ATOM 648 CE3 TRP A 44 1.641 -0.042 3.988 1.00 0.00 C ATOM 649 CZ2 TRP A 44 3.668 -1.974 3.741 1.00 0.00 C ATOM 650 CZ3 TRP A 44 1.650 -0.928 2.896 1.00 0.00 C ATOM 651 CH2 TRP A 44 2.657 -1.889 2.771 1.00 0.00 C ATOM 0 H TRP A 44 4.288 2.859 7.954 1.00 0.00 H new ATOM 0 HA TRP A 44 3.260 3.317 5.263 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.239 1.896 7.741 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.322 2.035 6.255 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.668 0.569 7.493 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.324 -1.472 6.075 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.836 0.672 4.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.440 -2.726 3.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.873 -0.865 2.148 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.657 -2.565 1.929 1.00 0.00 H new ATOM 662 N THR A 45 1.554 5.118 5.663 1.00 0.00 N ATOM 663 CA THR A 45 0.686 6.289 5.761 1.00 0.00 C ATOM 664 C THR A 45 -0.645 5.986 5.054 1.00 0.00 C ATOM 665 O THR A 45 -0.842 4.875 4.546 1.00 0.00 O ATOM 666 CB THR A 45 1.402 7.523 5.171 1.00 0.00 C ATOM 667 OG1 THR A 45 1.387 7.439 3.767 1.00 0.00 O ATOM 668 CG2 THR A 45 2.847 7.687 5.659 1.00 0.00 C ATOM 0 H THR A 45 1.632 4.776 4.705 1.00 0.00 H new ATOM 0 HA THR A 45 0.466 6.518 6.804 1.00 0.00 H new ATOM 0 HB THR A 45 0.857 8.400 5.518 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.767 8.258 3.386 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.286 8.574 5.203 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.855 7.795 6.744 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.428 6.809 5.377 1.00 0.00 H new ATOM 676 N TYR A 46 -1.609 6.910 5.057 1.00 0.00 N ATOM 677 CA TYR A 46 -2.888 6.714 4.392 1.00 0.00 C ATOM 678 C TYR A 46 -3.492 8.066 4.047 1.00 0.00 C ATOM 679 O TYR A 46 -3.418 9.014 4.832 1.00 0.00 O ATOM 680 CB TYR A 46 -3.850 5.895 5.273 1.00 0.00 C ATOM 681 CG TYR A 46 -5.160 5.484 4.616 1.00 0.00 C ATOM 682 CD1 TYR A 46 -5.160 4.850 3.359 1.00 0.00 C ATOM 683 CD2 TYR A 46 -6.384 5.697 5.278 1.00 0.00 C ATOM 684 CE1 TYR A 46 -6.369 4.491 2.738 1.00 0.00 C ATOM 685 CE2 TYR A 46 -7.596 5.312 4.677 1.00 0.00 C ATOM 686 CZ TYR A 46 -7.598 4.735 3.387 1.00 0.00 C ATOM 687 OH TYR A 46 -8.767 4.460 2.743 1.00 0.00 O ATOM 0 H TYR A 46 -1.519 7.813 5.522 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.725 6.150 3.473 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.333 4.994 5.604 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.080 6.477 6.166 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.222 4.637 2.867 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.392 6.159 6.254 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.357 4.028 1.763 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.528 5.458 5.203 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.501 4.941 3.178 1.00 0.00 H new ATOM 697 N ASP A 47 -4.133 8.122 2.888 1.00 0.00 N ATOM 698 CA ASP A 47 -4.814 9.260 2.310 1.00 0.00 C ATOM 699 C ASP A 47 -6.183 8.712 1.929 1.00 0.00 C ATOM 700 O ASP A 47 -6.437 8.344 0.778 1.00 0.00 O ATOM 701 CB ASP A 47 -4.067 9.835 1.096 1.00 0.00 C ATOM 702 CG ASP A 47 -2.814 10.625 1.475 1.00 0.00 C ATOM 703 OD1 ASP A 47 -2.963 11.583 2.275 1.00 0.00 O ATOM 704 OD2 ASP A 47 -1.725 10.340 0.939 1.00 0.00 O ATOM 0 H ASP A 47 -4.192 7.303 2.283 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.877 10.098 3.005 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.786 9.018 0.431 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.742 10.483 0.537 1.00 0.00 H new ATOM 709 N ASP A 48 -7.072 8.628 2.923 1.00 0.00 N ATOM 710 CA ASP A 48 -8.438 8.119 2.767 1.00 0.00 C ATOM 711 C ASP A 48 -9.175 8.873 1.671 1.00 0.00 C ATOM 712 O ASP A 48 -9.925 8.294 0.885 1.00 0.00 O ATOM 713 CB ASP A 48 -9.208 8.220 4.089 1.00 0.00 C ATOM 714 CG ASP A 48 -10.376 7.232 4.177 1.00 0.00 C ATOM 715 OD1 ASP A 48 -10.542 6.357 3.298 1.00 0.00 O ATOM 716 OD2 ASP A 48 -11.085 7.260 5.207 1.00 0.00 O ATOM 0 H ASP A 48 -6.858 8.918 3.877 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.374 7.069 2.481 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.523 8.039 4.917 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.588 9.235 4.205 1.00 0.00 H new ATOM 721 N ALA A 49 -8.867 10.166 1.549 1.00 0.00 N ATOM 722 CA ALA A 49 -9.389 11.116 0.576 1.00 0.00 C ATOM 723 C ALA A 49 -9.271 10.598 -0.859 1.00 0.00 C ATOM 724 O ALA A 49 -10.033 11.017 -1.734 1.00 0.00 O ATOM 725 CB ALA A 49 -8.546 12.387 0.667 1.00 0.00 C ATOM 0 H ALA A 49 -8.195 10.605 2.178 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.442 11.285 0.800 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.913 13.120 -0.052 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.617 12.799 1.674 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.506 12.150 0.444 1.00 0.00 H new ATOM 731 N THR A 50 -8.308 9.712 -1.109 1.00 0.00 N ATOM 732 CA THR A 50 -8.033 9.112 -2.399 1.00 0.00 C ATOM 733 C THR A 50 -7.802 7.600 -2.253 1.00 0.00 C ATOM 734 O THR A 50 -7.215 6.991 -3.155 1.00 0.00 O ATOM 735 CB THR A 50 -6.867 9.879 -3.051 1.00 0.00 C ATOM 736 OG1 THR A 50 -6.608 9.395 -4.354 1.00 0.00 O ATOM 737 CG2 THR A 50 -5.587 9.802 -2.219 1.00 0.00 C ATOM 0 H THR A 50 -7.674 9.383 -0.381 1.00 0.00 H new ATOM 0 HA THR A 50 -8.888 9.198 -3.069 1.00 0.00 H new ATOM 0 HB THR A 50 -7.176 10.923 -3.105 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.743 8.425 -4.375 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.794 10.357 -2.719 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.767 10.233 -1.234 1.00 0.00 H new ATOM 0 HG23 THR A 50 -5.287 8.760 -2.109 1.00 0.00 H new ATOM 745 N LYS A 51 -8.229 6.986 -1.143 1.00 0.00 N ATOM 746 CA LYS A 51 -8.079 5.560 -0.857 1.00 0.00 C ATOM 747 C LYS A 51 -6.673 5.061 -1.205 1.00 0.00 C ATOM 748 O LYS A 51 -6.531 4.064 -1.919 1.00 0.00 O ATOM 749 CB LYS A 51 -9.180 4.776 -1.604 1.00 0.00 C ATOM 750 CG LYS A 51 -10.610 5.182 -1.229 1.00 0.00 C ATOM 751 CD LYS A 51 -11.627 4.266 -1.941 1.00 0.00 C ATOM 752 CE LYS A 51 -13.049 4.514 -1.420 1.00 0.00 C ATOM 753 NZ LYS A 51 -14.106 4.237 -2.421 1.00 0.00 N ATOM 0 H LYS A 51 -8.705 7.489 -0.394 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.200 5.392 0.213 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.045 4.916 -2.677 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.052 3.712 -1.403 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.743 5.116 -0.149 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.786 6.221 -1.509 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.593 4.445 -3.016 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.355 3.222 -1.783 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.219 3.890 -0.543 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.132 5.551 -1.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.020 4.583 -2.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.876 4.721 -3.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.165 3.212 -2.589 1.00 0.00 H new ATOM 767 N THR A 52 -5.629 5.760 -0.753 1.00 0.00 N ATOM 768 CA THR A 52 -4.262 5.366 -1.073 1.00 0.00 C ATOM 769 C THR A 52 -3.348 5.314 0.144 1.00 0.00 C ATOM 770 O THR A 52 -3.417 6.201 0.989 1.00 0.00 O ATOM 771 CB THR A 52 -3.703 6.351 -2.111 1.00 0.00 C ATOM 772 OG1 THR A 52 -4.511 6.387 -3.277 1.00 0.00 O ATOM 773 CG2 THR A 52 -2.280 5.994 -2.547 1.00 0.00 C ATOM 0 H THR A 52 -5.706 6.593 -0.170 1.00 0.00 H new ATOM 0 HA THR A 52 -4.293 4.351 -1.470 1.00 0.00 H new ATOM 0 HB THR A 52 -3.699 7.323 -1.618 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.397 6.738 -3.050 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.931 6.721 -3.281 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.619 6.008 -1.680 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.274 4.999 -2.991 1.00 0.00 H new ATOM 781 N PHE A 53 -2.496 4.289 0.219 1.00 0.00 N ATOM 782 CA PHE A 53 -1.512 4.122 1.293 1.00 0.00 C ATOM 783 C PHE A 53 -0.125 4.350 0.677 1.00 0.00 C ATOM 784 O PHE A 53 0.045 4.149 -0.530 1.00 0.00 O ATOM 785 CB PHE A 53 -1.556 2.747 1.970 1.00 0.00 C ATOM 786 CG PHE A 53 -2.880 2.225 2.514 1.00 0.00 C ATOM 787 CD1 PHE A 53 -3.998 1.998 1.685 1.00 0.00 C ATOM 788 CD2 PHE A 53 -2.955 1.876 3.873 1.00 0.00 C ATOM 789 CE1 PHE A 53 -5.173 1.427 2.206 1.00 0.00 C ATOM 790 CE2 PHE A 53 -4.130 1.310 4.396 1.00 0.00 C ATOM 791 CZ PHE A 53 -5.241 1.088 3.566 1.00 0.00 C ATOM 0 H PHE A 53 -2.469 3.541 -0.474 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.743 4.842 2.078 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.186 2.016 1.251 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.847 2.767 2.798 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.951 2.265 0.640 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.106 2.044 4.519 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.021 1.250 1.561 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.179 1.044 5.442 1.00 0.00 H new ATOM 0 HZ PHE A 53 -6.144 0.658 3.973 1.00 0.00 H new ATOM 801 N THR A 54 0.848 4.802 1.469 1.00 0.00 N ATOM 802 CA THR A 54 2.215 5.070 1.004 1.00 0.00 C ATOM 803 C THR A 54 3.194 4.497 2.017 1.00 0.00 C ATOM 804 O THR A 54 3.091 4.825 3.197 1.00 0.00 O ATOM 805 CB THR A 54 2.455 6.576 0.803 1.00 0.00 C ATOM 806 OG1 THR A 54 1.402 7.171 0.067 1.00 0.00 O ATOM 807 CG2 THR A 54 3.794 6.894 0.137 1.00 0.00 C ATOM 0 H THR A 54 0.711 4.995 2.461 1.00 0.00 H new ATOM 0 HA THR A 54 2.364 4.593 0.035 1.00 0.00 H new ATOM 0 HB THR A 54 2.484 7.003 1.806 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.581 8.128 -0.044 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.898 7.973 0.026 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.607 6.513 0.755 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.833 6.423 -0.845 1.00 0.00 H new ATOM 815 N VAL A 55 4.038 3.542 1.633 1.00 0.00 N ATOM 816 CA VAL A 55 5.024 2.948 2.525 1.00 0.00 C ATOM 817 C VAL A 55 6.353 3.576 2.146 1.00 0.00 C ATOM 818 O VAL A 55 6.861 3.315 1.054 1.00 0.00 O ATOM 819 CB VAL A 55 5.000 1.410 2.488 1.00 0.00 C ATOM 820 CG1 VAL A 55 5.141 0.770 1.109 1.00 0.00 C ATOM 821 CG2 VAL A 55 6.069 0.844 3.435 1.00 0.00 C ATOM 0 H VAL A 55 4.055 3.158 0.688 1.00 0.00 H new ATOM 0 HA VAL A 55 4.808 3.158 3.572 1.00 0.00 H new ATOM 0 HB VAL A 55 3.995 1.145 2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.110 -0.315 1.207 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.322 1.100 0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.091 1.068 0.665 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.044 -0.245 3.402 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.053 1.194 3.124 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.869 1.181 4.452 1.00 0.00 H new ATOM 831 N THR A 56 6.891 4.406 3.033 1.00 0.00 N ATOM 832 CA THR A 56 8.146 5.087 2.792 1.00 0.00 C ATOM 833 C THR A 56 9.247 4.472 3.633 1.00 0.00 C ATOM 834 O THR A 56 9.224 4.554 4.864 1.00 0.00 O ATOM 835 CB THR A 56 8.022 6.582 3.051 1.00 0.00 C ATOM 836 OG1 THR A 56 6.865 7.122 2.438 1.00 0.00 O ATOM 837 CG2 THR A 56 9.245 7.330 2.519 1.00 0.00 C ATOM 0 H THR A 56 6.466 4.621 3.935 1.00 0.00 H new ATOM 0 HA THR A 56 8.407 4.962 1.741 1.00 0.00 H new ATOM 0 HB THR A 56 7.949 6.709 4.131 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.814 8.083 2.625 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.133 8.396 2.716 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.142 6.961 3.017 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.333 7.166 1.445 1.00 0.00 H new ATOM 845 N GLU A 57 10.142 3.744 2.980 1.00 0.00 N ATOM 846 CA GLU A 57 11.290 3.116 3.602 1.00 0.00 C ATOM 847 C GLU A 57 12.306 4.236 3.769 1.00 0.00 C ATOM 848 O GLU A 57 12.484 5.033 2.823 1.00 0.00 O ATOM 849 CB GLU A 57 11.845 1.960 2.743 1.00 0.00 C ATOM 850 CG GLU A 57 12.329 0.804 3.628 1.00 0.00 C ATOM 851 CD GLU A 57 13.716 0.239 3.286 1.00 0.00 C ATOM 852 OE1 GLU A 57 14.595 0.961 2.755 1.00 0.00 O ATOM 853 OE2 GLU A 57 13.930 -0.976 3.507 1.00 0.00 O ATOM 0 H GLU A 57 10.084 3.572 1.976 1.00 0.00 H new ATOM 0 HA GLU A 57 11.034 2.657 4.557 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.072 1.603 2.063 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.669 2.322 2.128 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.341 1.144 4.664 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.602 -0.006 3.566 1.00 0.00 H new