USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 417 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 180:sc= 0.00759 USER MOD Set 1.2: A 52 THR OG1 : rot 121:sc= -0.435 USER MOD Set 2.1: A 17 THR OG1 : rot 162:sc= -2.16! USER MOD Set 2.2: A 34 TYR OH : rot 15:sc= 0 USER MOD Single : A 2 THR OG1 : rot 173:sc= 1.32 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.195 K(o=-0.2,f=-1.5!) 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+ 159:sc= -0.0637 (180deg=-0.683) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0996 USER MOD Single : A 26 THR OG1 : rot -170: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= -0.207 X(o=-0.21,f=-0.088) USER MOD Single : A 36 ASN : amide:sc= -0.131 K(o=-0.13,f=0.53) USER MOD Single : A 38 ASN : amide:sc= -2.93 K(o=-2.9,f=-3.6!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 46 TYR OH : rot 180:sc= -2.93 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -21:sc= -0.0574 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 14.134 -1.247 2.220 1.00 0.00 N ATOM 21 CA THR A 2 13.123 -0.363 1.568 1.00 0.00 C ATOM 22 C THR A 2 11.782 -0.467 2.299 1.00 0.00 C ATOM 23 O THR A 2 11.129 -1.493 2.272 1.00 0.00 O ATOM 24 CB THR A 2 12.999 -0.891 0.138 1.00 0.00 C ATOM 25 OG1 THR A 2 14.282 -0.907 -0.472 1.00 0.00 O ATOM 26 CG2 THR A 2 12.062 0.014 -0.662 1.00 0.00 C ATOM 0 HA THR A 2 13.415 0.687 1.590 1.00 0.00 H new ATOM 0 HB THR A 2 12.593 -1.903 0.157 1.00 0.00 H new ATOM 0 HG1 THR A 2 14.223 -1.345 -1.347 1.00 0.00 H new ATOM 0 HG21 THR A 2 11.974 -0.363 -1.681 1.00 0.00 H new ATOM 0 HG22 THR A 2 11.078 0.025 -0.193 1.00 0.00 H new ATOM 0 HG23 THR A 2 12.465 1.027 -0.683 1.00 0.00 H new ATOM 34 N THR A 3 11.374 0.588 2.957 1.00 0.00 N ATOM 35 CA THR A 3 10.089 0.565 3.699 1.00 0.00 C ATOM 36 C THR A 3 9.028 1.391 2.966 1.00 0.00 C ATOM 37 O THR A 3 8.952 2.596 3.121 1.00 0.00 O ATOM 38 CB THR A 3 10.406 1.185 5.060 1.00 0.00 C ATOM 39 OG1 THR A 3 11.624 0.642 5.552 1.00 0.00 O ATOM 40 CG2 THR A 3 9.275 0.875 6.041 1.00 0.00 C ATOM 0 H THR A 3 11.885 1.469 3.009 1.00 0.00 H new ATOM 0 HA THR A 3 9.689 -0.445 3.792 1.00 0.00 H new ATOM 0 HB THR A 3 10.504 2.265 4.954 1.00 0.00 H new ATOM 0 HG1 THR A 3 11.831 1.039 6.424 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.503 1.318 7.011 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.341 1.291 5.663 1.00 0.00 H new ATOM 0 HG23 THR A 3 9.174 -0.205 6.150 1.00 0.00 H new ATOM 48 N PHE A 4 8.205 0.749 2.176 1.00 0.00 N ATOM 49 CA PHE A 4 7.138 1.490 1.435 1.00 0.00 C ATOM 50 C PHE A 4 6.026 1.906 2.403 1.00 0.00 C ATOM 51 O PHE A 4 6.098 1.645 3.589 1.00 0.00 O ATOM 52 CB PHE A 4 6.599 0.497 0.404 1.00 0.00 C ATOM 53 CG PHE A 4 7.645 0.222 -0.648 1.00 0.00 C ATOM 54 CD1 PHE A 4 7.769 1.071 -1.753 1.00 0.00 C ATOM 55 CD2 PHE A 4 8.482 -0.893 -0.522 1.00 0.00 C ATOM 56 CE1 PHE A 4 8.733 0.806 -2.733 1.00 0.00 C ATOM 57 CE2 PHE A 4 9.445 -1.157 -1.500 1.00 0.00 C ATOM 58 CZ PHE A 4 9.571 -0.308 -2.607 1.00 0.00 C ATOM 0 H PHE A 4 8.226 -0.257 2.012 1.00 0.00 H new ATOM 0 HA PHE A 4 7.517 2.397 0.964 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.315 -0.433 0.897 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.699 0.898 -0.063 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.122 1.930 -1.850 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.384 -1.549 0.330 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.830 1.461 -3.586 1.00 0.00 H new ATOM 0 HE2 PHE A 4 10.092 -2.016 -1.402 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.315 -0.513 -3.363 1.00 0.00 H new ATOM 68 N LYS A 5 4.999 2.548 1.905 1.00 0.00 N ATOM 69 CA LYS A 5 3.877 2.980 2.792 1.00 0.00 C ATOM 70 C LYS A 5 2.547 2.927 2.031 1.00 0.00 C ATOM 71 O LYS A 5 2.308 3.706 1.128 1.00 0.00 O ATOM 72 CB LYS A 5 4.217 4.417 3.188 1.00 0.00 C ATOM 73 CG LYS A 5 3.163 4.943 4.164 1.00 0.00 C ATOM 74 CD LYS A 5 3.165 6.474 4.145 1.00 0.00 C ATOM 75 CE LYS A 5 4.055 6.999 5.275 1.00 0.00 C ATOM 76 NZ LYS A 5 3.756 8.456 5.354 1.00 0.00 N ATOM 0 H LYS A 5 4.890 2.792 0.921 1.00 0.00 H new ATOM 0 HA LYS A 5 3.766 2.334 3.663 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.204 4.454 3.648 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.255 5.050 2.302 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.178 4.567 3.889 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.372 4.581 5.171 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.529 6.836 3.183 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.149 6.851 4.263 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.833 6.499 6.218 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.109 6.823 5.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.329 8.888 6.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.983 8.907 4.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.747 8.592 5.565 1.00 0.00 H new ATOM 90 N LEU A 6 1.685 2.010 2.389 1.00 0.00 N ATOM 91 CA LEU A 6 0.370 1.891 1.693 1.00 0.00 C ATOM 92 C LEU A 6 -0.695 2.719 2.420 1.00 0.00 C ATOM 93 O LEU A 6 -1.110 2.374 3.511 1.00 0.00 O ATOM 94 CB LEU A 6 0.016 0.397 1.788 1.00 0.00 C ATOM 95 CG LEU A 6 -0.775 -0.124 0.556 1.00 0.00 C ATOM 96 CD1 LEU A 6 -1.758 -1.204 1.025 1.00 0.00 C ATOM 97 CD2 LEU A 6 -1.572 0.990 -0.156 1.00 0.00 C ATOM 0 H LEU A 6 1.837 1.335 3.138 1.00 0.00 H new ATOM 0 HA LEU A 6 0.415 2.251 0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.934 -0.181 1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.573 0.226 2.689 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.050 -0.518 -0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.321 -1.580 0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.206 -2.024 1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.447 -0.777 1.754 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.105 0.568 -1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.289 1.426 0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.886 1.763 -0.503 1.00 0.00 H new ATOM 109 N ILE A 7 -1.156 3.794 1.824 1.00 0.00 N ATOM 110 CA ILE A 7 -2.212 4.615 2.492 1.00 0.00 C ATOM 111 C ILE A 7 -3.487 3.765 2.622 1.00 0.00 C ATOM 112 O ILE A 7 -3.568 2.685 2.064 1.00 0.00 O ATOM 113 CB ILE A 7 -2.397 5.865 1.590 1.00 0.00 C ATOM 114 CG1 ILE A 7 -2.766 7.066 2.463 1.00 0.00 C ATOM 115 CG2 ILE A 7 -3.495 5.662 0.532 1.00 0.00 C ATOM 116 CD1 ILE A 7 -1.531 7.539 3.232 1.00 0.00 C ATOM 0 H ILE A 7 -0.849 4.134 0.913 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.953 4.933 3.502 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.456 6.036 1.068 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.152 7.875 1.843 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.558 6.792 3.160 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.587 6.563 -0.074 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.232 4.819 -0.108 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.445 5.459 1.027 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.795 8.395 3.854 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.164 6.730 3.864 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.752 7.829 2.527 1.00 0.00 H new ATOM 128 N ILE A 8 -4.471 4.229 3.348 1.00 0.00 N ATOM 129 CA ILE A 8 -5.718 3.423 3.499 1.00 0.00 C ATOM 130 C ILE A 8 -6.957 4.287 3.239 1.00 0.00 C ATOM 131 O ILE A 8 -7.676 4.641 4.153 1.00 0.00 O ATOM 132 CB ILE A 8 -5.699 2.918 4.946 1.00 0.00 C ATOM 133 CG1 ILE A 8 -4.423 2.107 5.197 1.00 0.00 C ATOM 134 CG2 ILE A 8 -6.914 2.022 5.190 1.00 0.00 C ATOM 135 CD1 ILE A 8 -4.307 1.784 6.688 1.00 0.00 C ATOM 0 H ILE A 8 -4.466 5.123 3.839 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.760 2.601 2.784 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.727 3.773 5.622 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.445 1.185 4.615 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.550 2.671 4.868 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.900 1.663 6.219 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.827 2.592 5.016 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.882 1.172 4.509 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.399 1.207 6.866 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.265 2.712 7.259 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.174 1.203 7.003 1.00 0.00 H new ATOM 147 N ASN A 9 -7.220 4.612 1.996 1.00 0.00 N ATOM 148 CA ASN A 9 -8.426 5.434 1.678 1.00 0.00 C ATOM 149 C ASN A 9 -9.572 4.504 1.274 1.00 0.00 C ATOM 150 O ASN A 9 -10.244 4.715 0.283 1.00 0.00 O ATOM 151 CB ASN A 9 -8.011 6.341 0.513 1.00 0.00 C ATOM 152 CG ASN A 9 -7.981 7.800 0.977 1.00 0.00 C ATOM 153 OD1 ASN A 9 -8.761 8.198 1.819 1.00 0.00 O ATOM 154 ND2 ASN A 9 -7.106 8.618 0.459 1.00 0.00 N ATOM 0 H ASN A 9 -6.653 4.344 1.192 1.00 0.00 H new ATOM 0 HA ASN A 9 -8.770 6.027 2.526 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.029 6.047 0.143 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -8.710 6.227 -0.315 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -7.077 9.592 0.761 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -6.451 8.284 -0.248 1.00 0.00 H new ATOM 161 N GLY A 10 -9.785 3.471 2.044 1.00 0.00 N ATOM 162 CA GLY A 10 -10.872 2.501 1.731 1.00 0.00 C ATOM 163 C GLY A 10 -12.014 2.663 2.731 1.00 0.00 C ATOM 164 O GLY A 10 -11.843 3.224 3.797 1.00 0.00 O ATOM 0 H GLY A 10 -9.247 3.257 2.884 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.238 2.666 0.718 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.485 1.483 1.769 1.00 0.00 H new ATOM 168 N LYS A 11 -13.174 2.162 2.395 1.00 0.00 N ATOM 169 CA LYS A 11 -14.336 2.266 3.325 1.00 0.00 C ATOM 170 C LYS A 11 -14.248 1.193 4.422 1.00 0.00 C ATOM 171 O LYS A 11 -15.101 1.121 5.288 1.00 0.00 O ATOM 172 CB LYS A 11 -15.568 2.038 2.449 1.00 0.00 C ATOM 173 CG LYS A 11 -15.704 3.187 1.448 1.00 0.00 C ATOM 174 CD LYS A 11 -16.982 3.002 0.628 1.00 0.00 C ATOM 175 CE LYS A 11 -17.558 4.372 0.264 1.00 0.00 C ATOM 176 NZ LYS A 11 -18.532 4.100 -0.829 1.00 0.00 N ATOM 0 H LYS A 11 -13.367 1.684 1.515 1.00 0.00 H new ATOM 0 HA LYS A 11 -14.368 3.230 3.832 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.480 1.089 1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.462 1.975 3.070 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -15.732 4.141 1.975 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.837 3.213 0.788 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.767 2.434 -0.277 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -17.713 2.428 1.198 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -18.046 4.836 1.121 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -16.775 5.055 -0.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -18.970 4.993 -1.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -18.038 3.665 -1.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -19.269 3.453 -0.484 1.00 0.00 H new ATOM 190 N THR A 12 -13.228 0.360 4.400 1.00 0.00 N ATOM 191 CA THR A 12 -13.099 -0.696 5.445 1.00 0.00 C ATOM 192 C THR A 12 -12.011 -0.307 6.448 1.00 0.00 C ATOM 193 O THR A 12 -12.080 -0.654 7.612 1.00 0.00 O ATOM 194 CB THR A 12 -12.702 -1.961 4.682 1.00 0.00 C ATOM 195 OG1 THR A 12 -13.524 -2.095 3.531 1.00 0.00 O ATOM 196 CG2 THR A 12 -12.881 -3.182 5.585 1.00 0.00 C ATOM 0 H THR A 12 -12.484 0.371 3.702 1.00 0.00 H new ATOM 0 HA THR A 12 -14.020 -0.837 6.011 1.00 0.00 H new ATOM 0 HB THR A 12 -11.658 -1.889 4.377 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.270 -2.904 3.040 1.00 0.00 H new ATOM 0 HG21 THR A 12 -12.598 -4.082 5.040 1.00 0.00 H new ATOM 0 HG22 THR A 12 -12.249 -3.078 6.467 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.924 -3.257 5.893 1.00 0.00 H new ATOM 204 N LEU A 13 -11.009 0.411 6.003 1.00 0.00 N ATOM 205 CA LEU A 13 -9.914 0.825 6.931 1.00 0.00 C ATOM 206 C LEU A 13 -9.507 2.276 6.661 1.00 0.00 C ATOM 207 O LEU A 13 -9.857 2.848 5.646 1.00 0.00 O ATOM 208 CB LEU A 13 -8.756 -0.126 6.625 1.00 0.00 C ATOM 209 CG LEU A 13 -9.053 -1.502 7.224 1.00 0.00 C ATOM 210 CD1 LEU A 13 -8.075 -2.530 6.654 1.00 0.00 C ATOM 211 CD2 LEU A 13 -8.897 -1.439 8.745 1.00 0.00 C ATOM 0 H LEU A 13 -10.903 0.727 5.039 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.218 0.774 7.977 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.615 -0.210 5.547 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.828 0.269 7.038 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.073 -1.794 6.974 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.287 -3.510 7.081 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.185 -2.575 5.570 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.055 -2.239 6.903 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.108 -2.419 9.173 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.877 -1.146 8.994 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.594 -0.707 9.152 1.00 0.00 H new ATOM 223 N LYS A 14 -8.767 2.871 7.563 1.00 0.00 N ATOM 224 CA LYS A 14 -8.329 4.286 7.367 1.00 0.00 C ATOM 225 C LYS A 14 -7.039 4.553 8.147 1.00 0.00 C ATOM 226 O LYS A 14 -6.923 4.206 9.307 1.00 0.00 O ATOM 227 CB LYS A 14 -9.476 5.135 7.917 1.00 0.00 C ATOM 228 CG LYS A 14 -10.459 5.454 6.789 1.00 0.00 C ATOM 229 CD LYS A 14 -11.321 6.654 7.184 1.00 0.00 C ATOM 230 CE LYS A 14 -12.163 7.094 5.984 1.00 0.00 C ATOM 231 NZ LYS A 14 -13.096 5.960 5.734 1.00 0.00 N ATOM 0 H LYS A 14 -8.447 2.436 8.428 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.119 4.513 6.322 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.986 4.601 8.719 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.086 6.058 8.346 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.915 5.671 5.870 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.092 4.589 6.589 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.969 6.390 8.020 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.688 7.476 7.519 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.707 8.013 6.199 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.538 7.290 5.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -13.916 6.298 5.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.605 5.219 5.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.419 5.569 6.642 1.00 0.00 H new ATOM 245 N GLY A 15 -6.070 5.169 7.515 1.00 0.00 N ATOM 246 CA GLY A 15 -4.785 5.464 8.209 1.00 0.00 C ATOM 247 C GLY A 15 -3.616 5.196 7.260 1.00 0.00 C ATOM 248 O GLY A 15 -3.726 5.379 6.062 1.00 0.00 O ATOM 0 H GLY A 15 -6.117 5.480 6.545 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.768 6.503 8.539 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.691 4.845 9.101 1.00 0.00 H new ATOM 252 N GLU A 16 -2.499 4.763 7.787 1.00 0.00 N ATOM 253 CA GLU A 16 -1.315 4.479 6.919 1.00 0.00 C ATOM 254 C GLU A 16 -0.532 3.278 7.461 1.00 0.00 C ATOM 255 O GLU A 16 -0.083 3.279 8.592 1.00 0.00 O ATOM 256 CB GLU A 16 -0.461 5.753 6.971 1.00 0.00 C ATOM 257 CG GLU A 16 -0.057 6.057 8.418 1.00 0.00 C ATOM 258 CD GLU A 16 0.428 7.504 8.520 1.00 0.00 C ATOM 259 OE1 GLU A 16 1.090 7.953 7.599 1.00 0.00 O ATOM 260 OE2 GLU A 16 0.130 8.139 9.518 1.00 0.00 O ATOM 0 H GLU A 16 -2.355 4.593 8.782 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.605 4.230 5.898 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.430 5.629 6.355 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.020 6.592 6.557 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.905 5.899 9.084 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.731 5.375 8.738 1.00 0.00 H new ATOM 267 N THR A 17 -0.367 2.258 6.658 1.00 0.00 N ATOM 268 CA THR A 17 0.386 1.052 7.116 1.00 0.00 C ATOM 269 C THR A 17 1.732 0.961 6.392 1.00 0.00 C ATOM 270 O THR A 17 1.869 1.395 5.263 1.00 0.00 O ATOM 271 CB THR A 17 -0.504 -0.135 6.746 1.00 0.00 C ATOM 272 OG1 THR A 17 -1.783 0.031 7.343 1.00 0.00 O ATOM 273 CG2 THR A 17 0.133 -1.431 7.250 1.00 0.00 C ATOM 0 H THR A 17 -0.722 2.209 5.703 1.00 0.00 H new ATOM 0 HA THR A 17 0.602 1.082 8.184 1.00 0.00 H new ATOM 0 HB THR A 17 -0.612 -0.185 5.662 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.432 -0.549 6.892 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.503 -2.276 6.985 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.114 -1.557 6.791 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.243 -1.385 8.333 1.00 0.00 H new ATOM 281 N THR A 18 2.724 0.399 7.035 1.00 0.00 N ATOM 282 CA THR A 18 4.067 0.275 6.393 1.00 0.00 C ATOM 283 C THR A 18 4.600 -1.152 6.555 1.00 0.00 C ATOM 284 O THR A 18 4.131 -1.906 7.387 1.00 0.00 O ATOM 285 CB THR A 18 4.958 1.269 7.140 1.00 0.00 C ATOM 286 OG1 THR A 18 4.970 0.943 8.523 1.00 0.00 O ATOM 287 CG2 THR A 18 4.416 2.687 6.952 1.00 0.00 C ATOM 0 H THR A 18 2.661 0.020 7.980 1.00 0.00 H new ATOM 0 HA THR A 18 4.034 0.483 5.323 1.00 0.00 H new ATOM 0 HB THR A 18 5.972 1.217 6.744 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.542 1.577 9.004 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.052 3.393 7.485 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.408 2.936 5.891 1.00 0.00 H new ATOM 0 HG23 THR A 18 3.401 2.744 7.346 1.00 0.00 H new ATOM 295 N THR A 19 5.576 -1.524 5.766 1.00 0.00 N ATOM 296 CA THR A 19 6.146 -2.902 5.869 1.00 0.00 C ATOM 297 C THR A 19 7.660 -2.870 5.640 1.00 0.00 C ATOM 298 O THR A 19 8.258 -1.816 5.543 1.00 0.00 O ATOM 299 CB THR A 19 5.449 -3.712 4.768 1.00 0.00 C ATOM 300 OG1 THR A 19 5.951 -5.042 4.776 1.00 0.00 O ATOM 301 CG2 THR A 19 5.712 -3.077 3.399 1.00 0.00 C ATOM 0 H THR A 19 6.003 -0.932 5.054 1.00 0.00 H new ATOM 0 HA THR A 19 5.985 -3.339 6.855 1.00 0.00 H new ATOM 0 HB THR A 19 4.375 -3.720 4.955 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.507 -5.563 4.075 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.213 -3.660 2.625 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.326 -2.058 3.391 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.785 -3.061 3.205 1.00 0.00 H new ATOM 309 N GLU A 20 8.278 -4.020 5.551 1.00 0.00 N ATOM 310 CA GLU A 20 9.753 -4.069 5.326 1.00 0.00 C ATOM 311 C GLU A 20 10.068 -4.885 4.070 1.00 0.00 C ATOM 312 O GLU A 20 10.268 -6.083 4.134 1.00 0.00 O ATOM 313 CB GLU A 20 10.320 -4.756 6.570 1.00 0.00 C ATOM 314 CG GLU A 20 11.761 -4.297 6.796 1.00 0.00 C ATOM 315 CD GLU A 20 12.389 -5.122 7.921 1.00 0.00 C ATOM 316 OE1 GLU A 20 11.698 -5.387 8.891 1.00 0.00 O ATOM 317 OE2 GLU A 20 13.550 -5.475 7.794 1.00 0.00 O ATOM 0 H GLU A 20 7.822 -4.930 5.625 1.00 0.00 H new ATOM 0 HA GLU A 20 10.183 -3.078 5.177 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.710 -4.516 7.441 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.287 -5.839 6.447 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.339 -4.413 5.879 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.780 -3.238 7.053 1.00 0.00 H new ATOM 324 N ALA A 21 10.113 -4.242 2.930 1.00 0.00 N ATOM 325 CA ALA A 21 10.415 -4.971 1.664 1.00 0.00 C ATOM 326 C ALA A 21 11.729 -4.464 1.070 1.00 0.00 C ATOM 327 O ALA A 21 12.394 -3.621 1.643 1.00 0.00 O ATOM 328 CB ALA A 21 9.245 -4.649 0.734 1.00 0.00 C ATOM 0 H ALA A 21 9.953 -3.240 2.823 1.00 0.00 H new ATOM 0 HA ALA A 21 10.527 -6.044 1.818 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.392 -5.150 -0.223 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.315 -4.995 1.186 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.192 -3.572 0.575 1.00 0.00 H new ATOM 334 N VAL A 22 12.105 -4.969 -0.076 1.00 0.00 N ATOM 335 CA VAL A 22 13.375 -4.518 -0.717 1.00 0.00 C ATOM 336 C VAL A 22 13.074 -3.591 -1.902 1.00 0.00 C ATOM 337 O VAL A 22 13.890 -2.771 -2.279 1.00 0.00 O ATOM 338 CB VAL A 22 14.071 -5.806 -1.179 1.00 0.00 C ATOM 339 CG1 VAL A 22 13.180 -6.562 -2.170 1.00 0.00 C ATOM 340 CG2 VAL A 22 15.399 -5.457 -1.857 1.00 0.00 C ATOM 0 H VAL A 22 11.586 -5.676 -0.597 1.00 0.00 H new ATOM 0 HA VAL A 22 14.005 -3.948 -0.034 1.00 0.00 H new ATOM 0 HB VAL A 22 14.256 -6.438 -0.310 1.00 0.00 H new ATOM 0 HG11 VAL A 22 13.684 -7.474 -2.491 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.237 -6.819 -1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 22 12.984 -5.932 -3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 22 15.892 -6.372 -2.184 1.00 0.00 H new ATOM 0 HG22 VAL A 22 15.210 -4.818 -2.720 1.00 0.00 H new ATOM 0 HG23 VAL A 22 16.041 -4.932 -1.150 1.00 0.00 H new ATOM 350 N ASP A 23 11.908 -3.715 -2.488 1.00 0.00 N ATOM 351 CA ASP A 23 11.549 -2.843 -3.646 1.00 0.00 C ATOM 352 C ASP A 23 10.056 -2.970 -3.959 1.00 0.00 C ATOM 353 O ASP A 23 9.352 -3.758 -3.355 1.00 0.00 O ATOM 354 CB ASP A 23 12.387 -3.368 -4.811 1.00 0.00 C ATOM 355 CG ASP A 23 12.734 -2.214 -5.754 1.00 0.00 C ATOM 356 OD1 ASP A 23 13.709 -1.531 -5.488 1.00 0.00 O ATOM 357 OD2 ASP A 23 12.019 -2.034 -6.726 1.00 0.00 O ATOM 0 H ASP A 23 11.189 -4.384 -2.213 1.00 0.00 H new ATOM 0 HA ASP A 23 11.744 -1.789 -3.446 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.299 -3.832 -4.436 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.836 -4.139 -5.350 1.00 0.00 H new ATOM 362 N ALA A 24 9.569 -2.196 -4.896 1.00 0.00 N ATOM 363 CA ALA A 24 8.120 -2.259 -5.254 1.00 0.00 C ATOM 364 C ALA A 24 7.729 -3.677 -5.689 1.00 0.00 C ATOM 365 O ALA A 24 6.582 -4.069 -5.589 1.00 0.00 O ATOM 366 CB ALA A 24 7.946 -1.278 -6.417 1.00 0.00 C ATOM 0 H ALA A 24 10.115 -1.521 -5.430 1.00 0.00 H new ATOM 0 HA ALA A 24 7.485 -2.004 -4.406 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.903 -1.271 -6.734 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.234 -0.277 -6.095 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.577 -1.587 -7.251 1.00 0.00 H new ATOM 372 N ALA A 25 8.675 -4.445 -6.172 1.00 0.00 N ATOM 373 CA ALA A 25 8.361 -5.839 -6.619 1.00 0.00 C ATOM 374 C ALA A 25 7.796 -6.661 -5.456 1.00 0.00 C ATOM 375 O ALA A 25 7.035 -7.589 -5.656 1.00 0.00 O ATOM 376 CB ALA A 25 9.696 -6.424 -7.086 1.00 0.00 C ATOM 0 H ALA A 25 9.651 -4.167 -6.276 1.00 0.00 H new ATOM 0 HA ALA A 25 7.611 -5.852 -7.410 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.545 -7.447 -7.429 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.091 -5.822 -7.904 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.405 -6.420 -6.258 1.00 0.00 H new ATOM 382 N THR A 26 8.166 -6.327 -4.245 1.00 0.00 N ATOM 383 CA THR A 26 7.655 -7.088 -3.064 1.00 0.00 C ATOM 384 C THR A 26 6.667 -6.233 -2.264 1.00 0.00 C ATOM 385 O THR A 26 5.788 -6.748 -1.598 1.00 0.00 O ATOM 386 CB THR A 26 8.897 -7.397 -2.226 1.00 0.00 C ATOM 387 OG1 THR A 26 9.956 -7.802 -3.082 1.00 0.00 O ATOM 388 CG2 THR A 26 8.579 -8.520 -1.237 1.00 0.00 C ATOM 0 H THR A 26 8.800 -5.560 -4.023 1.00 0.00 H new ATOM 0 HA THR A 26 7.123 -7.993 -3.357 1.00 0.00 H new ATOM 0 HB THR A 26 9.196 -6.505 -1.676 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.697 -8.150 -2.543 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.464 -8.740 -0.640 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.767 -8.208 -0.581 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.279 -9.413 -1.785 1.00 0.00 H new ATOM 396 N ALA A 27 6.807 -4.933 -2.324 1.00 0.00 N ATOM 397 CA ALA A 27 5.879 -4.037 -1.565 1.00 0.00 C ATOM 398 C ALA A 27 4.439 -4.219 -2.057 1.00 0.00 C ATOM 399 O ALA A 27 3.570 -4.638 -1.315 1.00 0.00 O ATOM 400 CB ALA A 27 6.368 -2.616 -1.852 1.00 0.00 C ATOM 0 H ALA A 27 7.524 -4.452 -2.866 1.00 0.00 H new ATOM 0 HA ALA A 27 5.879 -4.259 -0.498 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.735 -1.900 -1.328 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.397 -2.509 -1.509 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.321 -2.425 -2.924 1.00 0.00 H new ATOM 406 N GLU A 28 4.183 -3.905 -3.303 1.00 0.00 N ATOM 407 CA GLU A 28 2.797 -4.055 -3.855 1.00 0.00 C ATOM 408 C GLU A 28 2.321 -5.502 -3.723 1.00 0.00 C ATOM 409 O GLU A 28 1.188 -5.755 -3.372 1.00 0.00 O ATOM 410 CB GLU A 28 2.907 -3.661 -5.330 1.00 0.00 C ATOM 411 CG GLU A 28 1.551 -3.160 -5.829 1.00 0.00 C ATOM 412 CD GLU A 28 1.482 -3.302 -7.350 1.00 0.00 C ATOM 413 OE1 GLU A 28 2.020 -2.444 -8.030 1.00 0.00 O ATOM 414 OE2 GLU A 28 0.893 -4.266 -7.810 1.00 0.00 O ATOM 0 H GLU A 28 4.874 -3.551 -3.964 1.00 0.00 H new ATOM 0 HA GLU A 28 2.077 -3.436 -3.320 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.661 -2.884 -5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.230 -4.517 -5.922 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.747 -3.730 -5.363 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.409 -2.118 -5.544 1.00 0.00 H new ATOM 421 N LYS A 29 3.179 -6.454 -3.996 1.00 0.00 N ATOM 422 CA LYS A 29 2.773 -7.893 -3.883 1.00 0.00 C ATOM 423 C LYS A 29 2.236 -8.186 -2.476 1.00 0.00 C ATOM 424 O LYS A 29 1.239 -8.865 -2.309 1.00 0.00 O ATOM 425 CB LYS A 29 4.050 -8.693 -4.147 1.00 0.00 C ATOM 426 CG LYS A 29 3.693 -10.160 -4.390 1.00 0.00 C ATOM 427 CD LYS A 29 4.961 -11.014 -4.311 1.00 0.00 C ATOM 428 CE LYS A 29 4.857 -12.178 -5.300 1.00 0.00 C ATOM 429 NZ LYS A 29 4.208 -13.277 -4.532 1.00 0.00 N ATOM 0 H LYS A 29 4.143 -6.299 -4.292 1.00 0.00 H new ATOM 0 HA LYS A 29 1.980 -8.151 -4.585 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.573 -8.287 -5.013 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.727 -8.609 -3.297 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.968 -10.497 -3.649 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.225 -10.274 -5.368 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.836 -10.406 -4.540 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.093 -11.394 -3.298 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.265 -11.903 -6.173 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.840 -12.477 -5.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.102 -14.112 -5.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.797 -13.522 -3.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.271 -12.966 -4.205 1.00 0.00 H new ATOM 443 N VAL A 30 2.890 -7.668 -1.468 1.00 0.00 N ATOM 444 CA VAL A 30 2.427 -7.897 -0.067 1.00 0.00 C ATOM 445 C VAL A 30 1.273 -6.945 0.264 1.00 0.00 C ATOM 446 O VAL A 30 0.254 -7.353 0.790 1.00 0.00 O ATOM 447 CB VAL A 30 3.653 -7.596 0.807 1.00 0.00 C ATOM 448 CG1 VAL A 30 3.282 -7.693 2.291 1.00 0.00 C ATOM 449 CG2 VAL A 30 4.755 -8.611 0.495 1.00 0.00 C ATOM 0 H VAL A 30 3.728 -7.094 -1.556 1.00 0.00 H new ATOM 0 HA VAL A 30 2.056 -8.910 0.093 1.00 0.00 H new ATOM 0 HB VAL A 30 4.004 -6.586 0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.160 -7.477 2.900 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.497 -6.972 2.518 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.925 -8.699 2.512 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.628 -8.402 1.113 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.393 -9.617 0.707 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.030 -8.538 -0.557 1.00 0.00 H new ATOM 459 N PHE A 31 1.431 -5.680 -0.036 1.00 0.00 N ATOM 460 CA PHE A 31 0.347 -4.698 0.267 1.00 0.00 C ATOM 461 C PHE A 31 -0.921 -5.053 -0.512 1.00 0.00 C ATOM 462 O PHE A 31 -2.022 -4.859 -0.032 1.00 0.00 O ATOM 463 CB PHE A 31 0.892 -3.334 -0.168 1.00 0.00 C ATOM 464 CG PHE A 31 1.676 -2.703 0.966 1.00 0.00 C ATOM 465 CD1 PHE A 31 1.126 -2.631 2.255 1.00 0.00 C ATOM 466 CD2 PHE A 31 2.953 -2.183 0.725 1.00 0.00 C ATOM 467 CE1 PHE A 31 1.852 -2.043 3.296 1.00 0.00 C ATOM 468 CE2 PHE A 31 3.678 -1.596 1.768 1.00 0.00 C ATOM 469 CZ PHE A 31 3.128 -1.525 3.053 1.00 0.00 C ATOM 0 H PHE A 31 2.262 -5.286 -0.477 1.00 0.00 H new ATOM 0 HA PHE A 31 0.079 -4.699 1.324 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.532 -3.451 -1.042 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.070 -2.681 -0.460 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.140 -3.030 2.444 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.379 -2.235 -0.266 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.427 -1.989 4.287 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.664 -1.197 1.581 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.689 -1.070 3.856 1.00 0.00 H new ATOM 479 N LYS A 32 -0.778 -5.584 -1.703 1.00 0.00 N ATOM 480 CA LYS A 32 -1.986 -5.965 -2.496 1.00 0.00 C ATOM 481 C LYS A 32 -2.739 -7.069 -1.753 1.00 0.00 C ATOM 482 O LYS A 32 -3.949 -7.032 -1.623 1.00 0.00 O ATOM 483 CB LYS A 32 -1.462 -6.483 -3.838 1.00 0.00 C ATOM 484 CG LYS A 32 -1.130 -5.299 -4.752 1.00 0.00 C ATOM 485 CD LYS A 32 -2.322 -5.005 -5.665 1.00 0.00 C ATOM 486 CE LYS A 32 -2.140 -3.634 -6.320 1.00 0.00 C ATOM 487 NZ LYS A 32 -3.044 -3.649 -7.503 1.00 0.00 N ATOM 0 H LYS A 32 0.117 -5.768 -2.156 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.670 -5.128 -2.641 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.574 -7.095 -3.681 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -2.209 -7.121 -4.310 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.892 -4.420 -4.153 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.248 -5.525 -5.351 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.406 -5.777 -6.430 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.247 -5.025 -5.090 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.403 -2.830 -5.632 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.104 -3.473 -6.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.975 -2.741 -8.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.765 -4.420 -8.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.024 -3.797 -7.189 1.00 0.00 H new ATOM 501 N GLN A 33 -2.020 -8.041 -1.242 1.00 0.00 N ATOM 502 CA GLN A 33 -2.679 -9.145 -0.478 1.00 0.00 C ATOM 503 C GLN A 33 -3.356 -8.566 0.763 1.00 0.00 C ATOM 504 O GLN A 33 -4.398 -9.021 1.194 1.00 0.00 O ATOM 505 CB GLN A 33 -1.549 -10.099 -0.084 1.00 0.00 C ATOM 506 CG GLN A 33 -2.144 -11.396 0.469 1.00 0.00 C ATOM 507 CD GLN A 33 -2.687 -12.241 -0.685 1.00 0.00 C ATOM 508 OE1 GLN A 33 -1.946 -12.951 -1.335 1.00 0.00 O ATOM 509 NE2 GLN A 33 -3.960 -12.194 -0.969 1.00 0.00 N ATOM 0 H GLN A 33 -1.006 -8.116 -1.322 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.444 -9.659 -1.060 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.922 -10.314 -0.949 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.909 -9.632 0.665 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.383 -11.954 1.015 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.943 -11.170 1.175 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.583 -11.598 -0.423 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -4.332 -12.753 -1.736 1.00 0.00 H new ATOM 518 N TYR A 34 -2.765 -7.548 1.316 1.00 0.00 N ATOM 519 CA TYR A 34 -3.347 -6.884 2.520 1.00 0.00 C ATOM 520 C TYR A 34 -4.661 -6.195 2.117 1.00 0.00 C ATOM 521 O TYR A 34 -5.709 -6.455 2.678 1.00 0.00 O ATOM 522 CB TYR A 34 -2.257 -5.878 2.964 1.00 0.00 C ATOM 523 CG TYR A 34 -2.846 -4.702 3.717 1.00 0.00 C ATOM 524 CD1 TYR A 34 -3.119 -4.815 5.081 1.00 0.00 C ATOM 525 CD2 TYR A 34 -3.115 -3.506 3.041 1.00 0.00 C ATOM 526 CE1 TYR A 34 -3.663 -3.728 5.777 1.00 0.00 C ATOM 527 CE2 TYR A 34 -3.659 -2.419 3.733 1.00 0.00 C ATOM 528 CZ TYR A 34 -3.933 -2.529 5.102 1.00 0.00 C ATOM 529 OH TYR A 34 -4.469 -1.458 5.787 1.00 0.00 O ATOM 0 H TYR A 34 -1.892 -7.140 0.983 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.596 -7.564 3.334 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -1.530 -6.387 3.597 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.719 -5.516 2.088 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -2.911 -5.739 5.599 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.903 -3.423 1.985 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -3.874 -3.813 6.833 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.867 -1.496 3.212 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.378 -1.608 6.751 1.00 0.00 H new ATOM 539 N ALA A 35 -4.599 -5.322 1.146 1.00 0.00 N ATOM 540 CA ALA A 35 -5.830 -4.607 0.691 1.00 0.00 C ATOM 541 C ALA A 35 -6.869 -5.610 0.180 1.00 0.00 C ATOM 542 O ALA A 35 -8.048 -5.481 0.443 1.00 0.00 O ATOM 543 CB ALA A 35 -5.365 -3.695 -0.445 1.00 0.00 C ATOM 0 H ALA A 35 -3.746 -5.072 0.646 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.300 -4.046 1.498 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.216 -3.135 -0.833 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.614 -3.000 -0.070 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.934 -4.299 -1.243 1.00 0.00 H new ATOM 549 N ASN A 36 -6.436 -6.605 -0.555 1.00 0.00 N ATOM 550 CA ASN A 36 -7.391 -7.619 -1.094 1.00 0.00 C ATOM 551 C ASN A 36 -8.160 -8.295 0.046 1.00 0.00 C ATOM 552 O ASN A 36 -9.332 -8.598 -0.080 1.00 0.00 O ATOM 553 CB ASN A 36 -6.523 -8.641 -1.834 1.00 0.00 C ATOM 554 CG ASN A 36 -6.402 -8.237 -3.305 1.00 0.00 C ATOM 555 OD1 ASN A 36 -5.333 -7.890 -3.766 1.00 0.00 O ATOM 556 ND2 ASN A 36 -7.462 -8.267 -4.067 1.00 0.00 N ATOM 0 H ASN A 36 -5.459 -6.758 -0.805 1.00 0.00 H new ATOM 0 HA ASN A 36 -8.134 -7.166 -1.750 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.535 -8.693 -1.378 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.964 -9.635 -1.754 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.392 -7.999 -5.049 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.360 -8.558 -3.680 1.00 0.00 H new ATOM 563 N ASP A 37 -7.507 -8.531 1.156 1.00 0.00 N ATOM 564 CA ASP A 37 -8.195 -9.187 2.311 1.00 0.00 C ATOM 565 C ASP A 37 -9.193 -8.218 2.951 1.00 0.00 C ATOM 566 O ASP A 37 -10.298 -8.592 3.296 1.00 0.00 O ATOM 567 CB ASP A 37 -7.079 -9.537 3.300 1.00 0.00 C ATOM 568 CG ASP A 37 -6.669 -10.999 3.114 1.00 0.00 C ATOM 569 OD1 ASP A 37 -7.307 -11.853 3.708 1.00 0.00 O ATOM 570 OD2 ASP A 37 -5.725 -11.240 2.381 1.00 0.00 O ATOM 0 H ASP A 37 -6.526 -8.298 1.313 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.757 -10.070 2.006 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.220 -8.885 3.141 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.420 -9.371 4.322 1.00 0.00 H new ATOM 575 N ASN A 38 -8.809 -6.977 3.110 1.00 0.00 N ATOM 576 CA ASN A 38 -9.731 -5.974 3.727 1.00 0.00 C ATOM 577 C ASN A 38 -10.775 -5.515 2.704 1.00 0.00 C ATOM 578 O ASN A 38 -11.881 -5.149 3.055 1.00 0.00 O ATOM 579 CB ASN A 38 -8.833 -4.806 4.139 1.00 0.00 C ATOM 580 CG ASN A 38 -7.933 -5.239 5.297 1.00 0.00 C ATOM 581 OD1 ASN A 38 -8.413 -5.608 6.350 1.00 0.00 O ATOM 582 ND2 ASN A 38 -6.637 -5.210 5.146 1.00 0.00 N ATOM 0 H ASN A 38 -7.895 -6.614 2.839 1.00 0.00 H new ATOM 0 HA ASN A 38 -10.277 -6.385 4.576 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -8.226 -4.484 3.293 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.442 -3.953 4.437 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.028 -5.497 5.912 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.233 -4.900 4.262 1.00 0.00 H new ATOM 589 N GLY A 39 -10.428 -5.535 1.442 1.00 0.00 N ATOM 590 CA GLY A 39 -11.392 -5.105 0.387 1.00 0.00 C ATOM 591 C GLY A 39 -11.066 -3.679 -0.060 1.00 0.00 C ATOM 592 O GLY A 39 -11.911 -2.804 -0.026 1.00 0.00 O ATOM 0 H GLY A 39 -9.515 -5.832 1.097 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.341 -5.784 -0.464 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.411 -5.152 0.771 1.00 0.00 H new ATOM 596 N ILE A 40 -9.847 -3.438 -0.479 1.00 0.00 N ATOM 597 CA ILE A 40 -9.467 -2.065 -0.931 1.00 0.00 C ATOM 598 C ILE A 40 -9.116 -2.073 -2.423 1.00 0.00 C ATOM 599 O ILE A 40 -8.023 -1.710 -2.815 1.00 0.00 O ATOM 600 CB ILE A 40 -8.254 -1.679 -0.075 1.00 0.00 C ATOM 601 CG1 ILE A 40 -8.679 -1.641 1.398 1.00 0.00 C ATOM 602 CG2 ILE A 40 -7.734 -0.296 -0.496 1.00 0.00 C ATOM 603 CD1 ILE A 40 -7.468 -1.354 2.290 1.00 0.00 C ATOM 0 H ILE A 40 -9.101 -4.132 -0.527 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.281 -1.350 -0.811 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.460 -2.412 -0.215 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -9.439 -0.873 1.545 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -9.129 -2.593 1.679 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.873 -0.029 0.117 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.439 -0.322 -1.545 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -8.521 0.446 -0.359 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -7.782 -1.329 3.333 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.722 -2.137 2.154 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.036 -0.391 2.018 1.00 0.00 H new ATOM 615 N ASP A 41 -10.046 -2.461 -3.257 1.00 0.00 N ATOM 616 CA ASP A 41 -9.783 -2.465 -4.726 1.00 0.00 C ATOM 617 C ASP A 41 -10.021 -1.053 -5.267 1.00 0.00 C ATOM 618 O ASP A 41 -10.884 -0.826 -6.094 1.00 0.00 O ATOM 619 CB ASP A 41 -10.793 -3.453 -5.312 1.00 0.00 C ATOM 620 CG ASP A 41 -10.131 -4.823 -5.474 1.00 0.00 C ATOM 621 OD1 ASP A 41 -9.591 -5.317 -4.498 1.00 0.00 O ATOM 622 OD2 ASP A 41 -10.174 -5.354 -6.572 1.00 0.00 O ATOM 0 H ASP A 41 -10.977 -2.775 -2.983 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.763 -2.752 -4.981 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.662 -3.532 -4.659 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.151 -3.094 -6.277 1.00 0.00 H new ATOM 627 N GLY A 42 -9.270 -0.101 -4.775 1.00 0.00 N ATOM 628 CA GLY A 42 -9.446 1.312 -5.213 1.00 0.00 C ATOM 629 C GLY A 42 -8.541 1.621 -6.403 1.00 0.00 C ATOM 630 O GLY A 42 -8.381 0.822 -7.306 1.00 0.00 O ATOM 0 H GLY A 42 -8.536 -0.246 -4.082 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.487 1.487 -5.485 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.214 1.986 -4.388 1.00 0.00 H new ATOM 634 N GLU A 43 -7.945 2.784 -6.395 1.00 0.00 N ATOM 635 CA GLU A 43 -7.037 3.180 -7.501 1.00 0.00 C ATOM 636 C GLU A 43 -5.620 3.336 -6.958 1.00 0.00 C ATOM 637 O GLU A 43 -5.298 4.295 -6.281 1.00 0.00 O ATOM 638 CB GLU A 43 -7.581 4.510 -8.049 1.00 0.00 C ATOM 639 CG GLU A 43 -7.740 5.543 -6.920 1.00 0.00 C ATOM 640 CD GLU A 43 -9.225 5.839 -6.689 1.00 0.00 C ATOM 641 OE1 GLU A 43 -10.005 4.900 -6.701 1.00 0.00 O ATOM 642 OE2 GLU A 43 -9.556 6.998 -6.504 1.00 0.00 O ATOM 0 H GLU A 43 -8.053 3.482 -5.659 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.998 2.434 -8.294 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.905 4.898 -8.810 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.543 4.343 -8.533 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.289 5.164 -6.003 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.213 6.461 -7.179 1.00 0.00 H new ATOM 649 N TRP A 44 -4.784 2.372 -7.222 1.00 0.00 N ATOM 650 CA TRP A 44 -3.396 2.415 -6.697 1.00 0.00 C ATOM 651 C TRP A 44 -2.525 3.427 -7.433 1.00 0.00 C ATOM 652 O TRP A 44 -2.613 3.605 -8.633 1.00 0.00 O ATOM 653 CB TRP A 44 -2.856 1.003 -6.885 1.00 0.00 C ATOM 654 CG TRP A 44 -3.513 0.123 -5.882 1.00 0.00 C ATOM 655 CD1 TRP A 44 -4.784 -0.330 -5.962 1.00 0.00 C ATOM 656 CD2 TRP A 44 -2.966 -0.397 -4.640 1.00 0.00 C ATOM 657 NE1 TRP A 44 -5.051 -1.101 -4.846 1.00 0.00 N ATOM 658 CE2 TRP A 44 -3.960 -1.171 -4.002 1.00 0.00 C ATOM 659 CE3 TRP A 44 -1.714 -0.274 -4.012 1.00 0.00 C ATOM 660 CZ2 TRP A 44 -3.722 -1.800 -2.784 1.00 0.00 C ATOM 661 CZ3 TRP A 44 -1.470 -0.908 -2.784 1.00 0.00 C ATOM 662 CH2 TRP A 44 -2.474 -1.669 -2.171 1.00 0.00 C ATOM 0 H TRP A 44 -5.007 1.550 -7.784 1.00 0.00 H new ATOM 0 HA TRP A 44 -3.386 2.732 -5.654 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.060 0.648 -7.895 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.774 0.988 -6.754 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -5.476 -0.124 -6.765 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.944 -1.561 -4.668 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.935 0.312 -4.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -4.498 -2.386 -2.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.505 -0.809 -2.310 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -2.283 -2.154 -1.225 1.00 0.00 H new ATOM 673 N THR A 45 -1.663 4.065 -6.698 1.00 0.00 N ATOM 674 CA THR A 45 -0.728 5.059 -7.284 1.00 0.00 C ATOM 675 C THR A 45 0.535 5.077 -6.428 1.00 0.00 C ATOM 676 O THR A 45 0.467 5.098 -5.212 1.00 0.00 O ATOM 677 CB THR A 45 -1.445 6.410 -7.230 1.00 0.00 C ATOM 678 OG1 THR A 45 -2.272 6.474 -6.076 1.00 0.00 O ATOM 679 CG2 THR A 45 -2.302 6.585 -8.484 1.00 0.00 C ATOM 0 H THR A 45 -1.565 3.936 -5.691 1.00 0.00 H new ATOM 0 HA THR A 45 -0.448 4.825 -8.311 1.00 0.00 H new ATOM 0 HB THR A 45 -0.703 7.207 -7.182 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.727 7.342 -6.047 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.812 7.547 -8.445 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.665 6.548 -9.368 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.040 5.785 -8.535 1.00 0.00 H new ATOM 687 N TYR A 46 1.679 5.038 -7.046 1.00 0.00 N ATOM 688 CA TYR A 46 2.951 5.017 -6.267 1.00 0.00 C ATOM 689 C TYR A 46 3.623 6.396 -6.307 1.00 0.00 C ATOM 690 O TYR A 46 3.656 7.054 -7.330 1.00 0.00 O ATOM 691 CB TYR A 46 3.795 3.943 -6.975 1.00 0.00 C ATOM 692 CG TYR A 46 5.233 3.957 -6.494 1.00 0.00 C ATOM 693 CD1 TYR A 46 5.603 3.248 -5.343 1.00 0.00 C ATOM 694 CD2 TYR A 46 6.198 4.668 -7.217 1.00 0.00 C ATOM 695 CE1 TYR A 46 6.934 3.253 -4.916 1.00 0.00 C ATOM 696 CE2 TYR A 46 7.530 4.671 -6.791 1.00 0.00 C ATOM 697 CZ TYR A 46 7.899 3.964 -5.642 1.00 0.00 C ATOM 698 OH TYR A 46 9.214 3.967 -5.228 1.00 0.00 O ATOM 0 H TYR A 46 1.792 5.020 -8.060 1.00 0.00 H new ATOM 0 HA TYR A 46 2.811 4.792 -5.210 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.360 2.960 -6.795 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.769 4.110 -8.052 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.859 2.698 -4.786 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.914 5.214 -8.104 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.218 2.709 -4.027 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.274 5.219 -7.349 1.00 0.00 H new ATOM 0 HH TYR A 46 9.750 4.508 -5.845 1.00 0.00 H new ATOM 708 N ASP A 47 4.161 6.827 -5.195 1.00 0.00 N ATOM 709 CA ASP A 47 4.839 8.155 -5.146 1.00 0.00 C ATOM 710 C ASP A 47 6.342 7.967 -4.924 1.00 0.00 C ATOM 711 O ASP A 47 6.771 7.505 -3.883 1.00 0.00 O ATOM 712 CB ASP A 47 4.207 8.881 -3.959 1.00 0.00 C ATOM 713 CG ASP A 47 4.086 10.372 -4.277 1.00 0.00 C ATOM 714 OD1 ASP A 47 5.080 10.955 -4.680 1.00 0.00 O ATOM 715 OD2 ASP A 47 3.002 10.907 -4.113 1.00 0.00 O ATOM 0 H ASP A 47 4.159 6.312 -4.314 1.00 0.00 H new ATOM 0 HA ASP A 47 4.720 8.716 -6.073 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.223 8.463 -3.746 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.815 8.737 -3.066 1.00 0.00 H new ATOM 720 N ASP A 48 7.139 8.317 -5.901 1.00 0.00 N ATOM 721 CA ASP A 48 8.619 8.162 -5.766 1.00 0.00 C ATOM 722 C ASP A 48 9.182 9.161 -4.746 1.00 0.00 C ATOM 723 O ASP A 48 10.257 8.968 -4.210 1.00 0.00 O ATOM 724 CB ASP A 48 9.179 8.442 -7.166 1.00 0.00 C ATOM 725 CG ASP A 48 8.802 9.861 -7.608 1.00 0.00 C ATOM 726 OD1 ASP A 48 9.463 10.790 -7.175 1.00 0.00 O ATOM 727 OD2 ASP A 48 7.860 9.991 -8.371 1.00 0.00 O ATOM 0 H ASP A 48 6.827 8.705 -6.791 1.00 0.00 H new ATOM 0 HA ASP A 48 8.893 7.170 -5.408 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.263 8.330 -7.162 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.786 7.715 -7.876 1.00 0.00 H new ATOM 732 N ALA A 49 8.469 10.231 -4.479 1.00 0.00 N ATOM 733 CA ALA A 49 8.962 11.250 -3.502 1.00 0.00 C ATOM 734 C ALA A 49 9.316 10.594 -2.163 1.00 0.00 C ATOM 735 O ALA A 49 10.304 10.934 -1.539 1.00 0.00 O ATOM 736 CB ALA A 49 7.801 12.232 -3.322 1.00 0.00 C ATOM 0 H ALA A 49 7.563 10.441 -4.899 1.00 0.00 H new ATOM 0 HA ALA A 49 9.866 11.744 -3.858 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.089 13.011 -2.616 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.556 12.685 -4.282 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.930 11.700 -2.939 1.00 0.00 H new ATOM 742 N THR A 50 8.514 9.658 -1.720 1.00 0.00 N ATOM 743 CA THR A 50 8.797 8.976 -0.420 1.00 0.00 C ATOM 744 C THR A 50 8.294 7.527 -0.450 1.00 0.00 C ATOM 745 O THR A 50 8.089 6.917 0.582 1.00 0.00 O ATOM 746 CB THR A 50 8.027 9.783 0.628 1.00 0.00 C ATOM 747 OG1 THR A 50 6.643 9.771 0.308 1.00 0.00 O ATOM 748 CG2 THR A 50 8.535 11.227 0.645 1.00 0.00 C ATOM 0 H THR A 50 7.675 9.337 -2.203 1.00 0.00 H new ATOM 0 HA THR A 50 9.865 8.935 -0.206 1.00 0.00 H new ATOM 0 HB THR A 50 8.179 9.337 1.611 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.148 10.286 0.979 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.984 11.798 1.392 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.597 11.236 0.891 1.00 0.00 H new ATOM 0 HG23 THR A 50 8.386 11.677 -0.337 1.00 0.00 H new ATOM 756 N LYS A 51 8.094 6.967 -1.623 1.00 0.00 N ATOM 757 CA LYS A 51 7.603 5.550 -1.725 1.00 0.00 C ATOM 758 C LYS A 51 6.340 5.353 -0.876 1.00 0.00 C ATOM 759 O LYS A 51 6.418 5.074 0.306 1.00 0.00 O ATOM 760 CB LYS A 51 8.751 4.683 -1.189 1.00 0.00 C ATOM 761 CG LYS A 51 9.380 3.891 -2.337 1.00 0.00 C ATOM 762 CD LYS A 51 10.541 4.689 -2.939 1.00 0.00 C ATOM 763 CE LYS A 51 11.656 4.838 -1.900 1.00 0.00 C ATOM 764 NZ LYS A 51 12.922 4.707 -2.675 1.00 0.00 N ATOM 0 H LYS A 51 8.250 7.432 -2.518 1.00 0.00 H new ATOM 0 HA LYS A 51 7.338 5.287 -2.749 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.503 5.312 -0.714 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.378 4.001 -0.425 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.738 2.928 -1.974 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.632 3.685 -3.103 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.922 4.183 -3.826 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.193 5.672 -3.258 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.600 5.803 -1.395 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.583 4.070 -1.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.734 4.798 -2.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.950 3.777 -3.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.966 5.455 -3.396 1.00 0.00 H new ATOM 778 N THR A 52 5.182 5.501 -1.469 1.00 0.00 N ATOM 779 CA THR A 52 3.920 5.329 -0.689 1.00 0.00 C ATOM 780 C THR A 52 2.777 4.846 -1.588 1.00 0.00 C ATOM 781 O THR A 52 2.190 5.618 -2.324 1.00 0.00 O ATOM 782 CB THR A 52 3.611 6.722 -0.139 1.00 0.00 C ATOM 783 OG1 THR A 52 4.738 7.210 0.575 1.00 0.00 O ATOM 784 CG2 THR A 52 2.402 6.649 0.795 1.00 0.00 C ATOM 0 H THR A 52 5.057 5.732 -2.454 1.00 0.00 H new ATOM 0 HA THR A 52 4.028 4.582 0.098 1.00 0.00 H new ATOM 0 HB THR A 52 3.386 7.396 -0.965 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.045 8.047 0.169 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.184 7.643 1.186 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.538 6.278 0.244 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.622 5.974 1.622 1.00 0.00 H new ATOM 792 N PHE A 53 2.442 3.579 -1.517 1.00 0.00 N ATOM 793 CA PHE A 53 1.315 3.051 -2.350 1.00 0.00 C ATOM 794 C PHE A 53 0.018 3.737 -1.925 1.00 0.00 C ATOM 795 O PHE A 53 -0.343 3.716 -0.762 1.00 0.00 O ATOM 796 CB PHE A 53 1.247 1.554 -2.044 1.00 0.00 C ATOM 797 CG PHE A 53 2.418 0.855 -2.681 1.00 0.00 C ATOM 798 CD1 PHE A 53 2.337 0.431 -4.011 1.00 0.00 C ATOM 799 CD2 PHE A 53 3.583 0.630 -1.942 1.00 0.00 C ATOM 800 CE1 PHE A 53 3.426 -0.219 -4.605 1.00 0.00 C ATOM 801 CE2 PHE A 53 4.671 -0.020 -2.533 1.00 0.00 C ATOM 802 CZ PHE A 53 4.593 -0.445 -3.865 1.00 0.00 C ATOM 0 H PHE A 53 2.899 2.890 -0.920 1.00 0.00 H new ATOM 0 HA PHE A 53 1.460 3.233 -3.415 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.256 1.392 -0.966 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.313 1.138 -2.421 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.435 0.605 -4.580 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.643 0.958 -0.915 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.366 -0.546 -5.633 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.571 -0.194 -1.962 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.433 -0.947 -4.322 1.00 0.00 H new ATOM 812 N THR A 54 -0.668 4.372 -2.840 1.00 0.00 N ATOM 813 CA THR A 54 -1.925 5.087 -2.450 1.00 0.00 C ATOM 814 C THR A 54 -3.174 4.504 -3.134 1.00 0.00 C ATOM 815 O THR A 54 -3.442 4.777 -4.289 1.00 0.00 O ATOM 816 CB THR A 54 -1.694 6.534 -2.896 1.00 0.00 C ATOM 817 OG1 THR A 54 -0.507 7.027 -2.290 1.00 0.00 O ATOM 818 CG2 THR A 54 -2.880 7.408 -2.479 1.00 0.00 C ATOM 0 H THR A 54 -0.419 4.428 -3.828 1.00 0.00 H new ATOM 0 HA THR A 54 -2.116 4.992 -1.381 1.00 0.00 H new ATOM 0 HB THR A 54 -1.595 6.564 -3.981 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.355 7.952 -2.574 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.706 8.435 -2.801 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.791 7.031 -2.944 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.988 7.381 -1.395 1.00 0.00 H new ATOM 826 N VAL A 55 -3.966 3.743 -2.407 1.00 0.00 N ATOM 827 CA VAL A 55 -5.222 3.192 -2.985 1.00 0.00 C ATOM 828 C VAL A 55 -6.419 3.958 -2.402 1.00 0.00 C ATOM 829 O VAL A 55 -6.281 4.708 -1.452 1.00 0.00 O ATOM 830 CB VAL A 55 -5.281 1.696 -2.610 1.00 0.00 C ATOM 831 CG1 VAL A 55 -5.450 1.516 -1.103 1.00 0.00 C ATOM 832 CG2 VAL A 55 -6.470 1.043 -3.320 1.00 0.00 C ATOM 0 H VAL A 55 -3.789 3.484 -1.437 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.250 3.300 -4.069 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.346 1.228 -2.918 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.489 0.453 -0.866 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.607 1.973 -0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.375 1.994 -0.781 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.515 -0.014 -3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.393 1.533 -3.010 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.350 1.144 -4.399 1.00 0.00 H new ATOM 842 N THR A 56 -7.581 3.775 -2.963 1.00 0.00 N ATOM 843 CA THR A 56 -8.786 4.491 -2.459 1.00 0.00 C ATOM 844 C THR A 56 -10.057 3.770 -2.922 1.00 0.00 C ATOM 845 O THR A 56 -10.402 3.799 -4.089 1.00 0.00 O ATOM 846 CB THR A 56 -8.688 5.877 -3.096 1.00 0.00 C ATOM 847 OG1 THR A 56 -7.498 6.515 -2.653 1.00 0.00 O ATOM 848 CG2 THR A 56 -9.899 6.727 -2.703 1.00 0.00 C ATOM 0 H THR A 56 -7.749 3.155 -3.755 1.00 0.00 H new ATOM 0 HA THR A 56 -8.831 4.537 -1.371 1.00 0.00 H new ATOM 0 HB THR A 56 -8.668 5.770 -4.181 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.194 6.098 -1.820 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.817 7.712 -3.163 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.812 6.241 -3.047 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.931 6.835 -1.619 1.00 0.00 H new ATOM 856 N GLU A 57 -10.750 3.130 -2.016 1.00 0.00 N ATOM 857 CA GLU A 57 -12.000 2.408 -2.396 1.00 0.00 C ATOM 858 C GLU A 57 -13.202 3.354 -2.314 1.00 0.00 C ATOM 859 O GLU A 57 -13.305 4.065 -1.329 1.00 0.00 O ATOM 860 CB GLU A 57 -12.133 1.280 -1.373 1.00 0.00 C ATOM 861 CG GLU A 57 -12.756 0.055 -2.043 1.00 0.00 C ATOM 862 CD GLU A 57 -14.209 0.358 -2.414 1.00 0.00 C ATOM 863 OE1 GLU A 57 -14.939 0.810 -1.546 1.00 0.00 O ATOM 864 OE2 GLU A 57 -14.567 0.135 -3.558 1.00 0.00 O ATOM 865 OXT GLU A 57 -13.996 3.351 -3.240 1.00 0.00 O ATOM 0 H GLU A 57 -10.503 3.076 -1.028 1.00 0.00 H new ATOM 0 HA GLU A 57 -11.964 2.028 -3.417 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.154 1.027 -0.966 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.752 1.604 -0.536 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.190 -0.211 -2.936 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.713 -0.802 -1.370 1.00 0.00 H new