USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 412 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 44 THR OG1 : rot 180:sc= -0.911 USER MOD Set 1.2: A 53 THR OG1 : rot 149:sc= 0.0546 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.742 K(o=-0.74,f=-6.1!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 38:sc= -0.227 USER MOD Single : A 25 THR OG1 : rot -160:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 37 ASN : amide:sc= 0.0258 K(o=0.026,f=-0.72) USER MOD Single : A 45 TYR OH : rot 15:sc= -0.336 USER MOD Single : A 49 THR OG1 : rot -48:sc= 0.737 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -84:sc= -1.48 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N PHE A 3 8.796 2.516 2.796 1.00 0.00 N ATOM 32 CA PHE A 3 7.654 2.691 1.846 1.00 0.00 C ATOM 33 C PHE A 3 6.372 3.017 2.617 1.00 0.00 C ATOM 34 O PHE A 3 6.283 2.790 3.808 1.00 0.00 O ATOM 35 CB PHE A 3 7.529 1.347 1.124 1.00 0.00 C ATOM 36 CG PHE A 3 8.799 1.072 0.352 1.00 0.00 C ATOM 37 CD1 PHE A 3 9.272 2.010 -0.574 1.00 0.00 C ATOM 38 CD2 PHE A 3 9.509 -0.118 0.566 1.00 0.00 C ATOM 39 CE1 PHE A 3 10.451 1.761 -1.285 1.00 0.00 C ATOM 40 CE2 PHE A 3 10.687 -0.367 -0.147 1.00 0.00 C ATOM 41 CZ PHE A 3 11.159 0.573 -1.071 1.00 0.00 C ATOM 0 HA PHE A 3 7.817 3.511 1.147 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.349 0.550 1.845 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.675 1.363 0.447 1.00 0.00 H new ATOM 0 HD1 PHE A 3 8.726 2.927 -0.740 1.00 0.00 H new ATOM 0 HD2 PHE A 3 9.147 -0.842 1.281 1.00 0.00 H new ATOM 0 HE1 PHE A 3 10.815 2.485 -1.999 1.00 0.00 H new ATOM 0 HE2 PHE A 3 11.232 -1.285 0.016 1.00 0.00 H new ATOM 0 HZ PHE A 3 12.070 0.381 -1.619 1.00 0.00 H new ATOM 51 N LYS A 4 5.382 3.553 1.946 1.00 0.00 N ATOM 52 CA LYS A 4 4.104 3.902 2.638 1.00 0.00 C ATOM 53 C LYS A 4 2.903 3.548 1.759 1.00 0.00 C ATOM 54 O LYS A 4 2.998 3.523 0.550 1.00 0.00 O ATOM 55 CB LYS A 4 4.165 5.417 2.844 1.00 0.00 C ATOM 56 CG LYS A 4 3.049 5.852 3.796 1.00 0.00 C ATOM 57 CD LYS A 4 3.100 7.371 3.981 1.00 0.00 C ATOM 58 CE LYS A 4 1.675 7.927 4.060 1.00 0.00 C ATOM 59 NZ LYS A 4 1.718 8.942 5.149 1.00 0.00 N ATOM 0 H LYS A 4 5.405 3.764 0.948 1.00 0.00 H new ATOM 0 HA LYS A 4 3.990 3.357 3.575 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.135 5.700 3.252 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.060 5.929 1.887 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.079 5.556 3.396 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.163 5.354 4.759 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.649 7.619 4.890 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.635 7.831 3.150 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.373 8.376 3.114 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.956 7.139 4.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.776 9.368 5.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.002 8.485 6.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.406 9.683 4.906 1.00 0.00 H new ATOM 73 N LEU A 5 1.772 3.296 2.366 1.00 0.00 N ATOM 74 CA LEU A 5 0.543 2.966 1.584 1.00 0.00 C ATOM 75 C LEU A 5 -0.692 3.348 2.402 1.00 0.00 C ATOM 76 O LEU A 5 -0.777 3.059 3.581 1.00 0.00 O ATOM 77 CB LEU A 5 0.585 1.451 1.348 1.00 0.00 C ATOM 78 CG LEU A 5 -0.131 1.114 0.025 1.00 0.00 C ATOM 79 CD1 LEU A 5 0.733 0.166 -0.817 1.00 0.00 C ATOM 80 CD2 LEU A 5 -1.474 0.441 0.326 1.00 0.00 C ATOM 0 H LEU A 5 1.646 3.305 3.378 1.00 0.00 H new ATOM 0 HA LEU A 5 0.498 3.507 0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.619 1.107 1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.104 0.930 2.176 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.297 2.036 -0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.217 -0.065 -1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.687 0.644 -1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.909 -0.755 -0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.980 0.203 -0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.303 -0.476 0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.096 1.117 0.913 1.00 0.00 H new ATOM 92 N ILE A 6 -1.640 4.005 1.788 1.00 0.00 N ATOM 93 CA ILE A 6 -2.868 4.422 2.529 1.00 0.00 C ATOM 94 C ILE A 6 -4.050 3.527 2.148 1.00 0.00 C ATOM 95 O ILE A 6 -4.219 3.160 1.001 1.00 0.00 O ATOM 96 CB ILE A 6 -3.104 5.871 2.089 1.00 0.00 C ATOM 97 CG1 ILE A 6 -1.913 6.734 2.543 1.00 0.00 C ATOM 98 CG2 ILE A 6 -4.412 6.413 2.694 1.00 0.00 C ATOM 99 CD1 ILE A 6 -1.811 6.734 4.072 1.00 0.00 C ATOM 0 H ILE A 6 -1.618 4.272 0.804 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.759 4.337 3.610 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.191 5.908 1.003 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.990 6.349 2.110 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.035 7.754 2.179 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.563 7.443 2.371 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.249 5.801 2.358 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.351 6.379 3.782 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.965 7.348 4.380 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.728 7.141 4.498 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.667 5.714 4.427 1.00 0.00 H new ATOM 111 N ILE A 7 -4.868 3.180 3.109 1.00 0.00 N ATOM 112 CA ILE A 7 -6.048 2.312 2.820 1.00 0.00 C ATOM 113 C ILE A 7 -7.248 3.181 2.437 1.00 0.00 C ATOM 114 O ILE A 7 -7.750 3.946 3.239 1.00 0.00 O ATOM 115 CB ILE A 7 -6.325 1.558 4.126 1.00 0.00 C ATOM 116 CG1 ILE A 7 -5.088 0.747 4.527 1.00 0.00 C ATOM 117 CG2 ILE A 7 -7.507 0.606 3.928 1.00 0.00 C ATOM 118 CD1 ILE A 7 -5.278 0.192 5.940 1.00 0.00 C ATOM 0 H ILE A 7 -4.768 3.462 4.084 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.866 1.627 1.992 1.00 0.00 H new ATOM 0 HB ILE A 7 -6.560 2.277 4.911 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.931 -0.069 3.822 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.199 1.377 4.489 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.703 0.071 4.857 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -8.391 1.177 3.645 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.270 -0.109 3.140 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.398 -0.385 6.226 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.414 1.017 6.640 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.157 -0.452 5.963 1.00 0.00 H new ATOM 130 N ASN A 8 -7.708 3.068 1.218 1.00 0.00 N ATOM 131 CA ASN A 8 -8.876 3.884 0.776 1.00 0.00 C ATOM 132 C ASN A 8 -10.104 2.988 0.600 1.00 0.00 C ATOM 133 O ASN A 8 -10.736 2.980 -0.440 1.00 0.00 O ATOM 134 CB ASN A 8 -8.452 4.493 -0.561 1.00 0.00 C ATOM 135 CG ASN A 8 -7.509 5.672 -0.309 1.00 0.00 C ATOM 136 OD1 ASN A 8 -6.847 5.729 0.708 1.00 0.00 O ATOM 137 ND2 ASN A 8 -7.418 6.622 -1.200 1.00 0.00 N ATOM 0 H ASN A 8 -7.324 2.444 0.509 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.146 4.652 1.501 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.955 3.741 -1.174 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.329 4.827 -1.115 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -6.791 7.411 -1.042 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.973 6.575 -2.054 1.00 0.00 H new ATOM 144 N GLY A 9 -10.442 2.234 1.614 1.00 0.00 N ATOM 145 CA GLY A 9 -11.627 1.332 1.523 1.00 0.00 C ATOM 146 C GLY A 9 -12.881 2.092 1.957 1.00 0.00 C ATOM 147 O GLY A 9 -12.826 2.969 2.798 1.00 0.00 O ATOM 0 H GLY A 9 -9.946 2.205 2.505 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.744 0.969 0.502 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.481 0.457 2.157 1.00 0.00 H new ATOM 151 N LYS A 10 -14.011 1.764 1.382 1.00 0.00 N ATOM 152 CA LYS A 10 -15.281 2.464 1.745 1.00 0.00 C ATOM 153 C LYS A 10 -15.552 2.354 3.250 1.00 0.00 C ATOM 154 O LYS A 10 -16.117 3.248 3.852 1.00 0.00 O ATOM 155 CB LYS A 10 -16.377 1.749 0.952 1.00 0.00 C ATOM 156 CG LYS A 10 -16.104 1.903 -0.546 1.00 0.00 C ATOM 157 CD LYS A 10 -17.370 1.563 -1.336 1.00 0.00 C ATOM 158 CE LYS A 10 -17.211 2.035 -2.783 1.00 0.00 C ATOM 159 NZ LYS A 10 -17.960 1.037 -3.597 1.00 0.00 N ATOM 0 H LYS A 10 -14.109 1.037 0.673 1.00 0.00 H new ATOM 0 HA LYS A 10 -15.235 3.528 1.512 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.406 0.693 1.221 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -17.352 2.168 1.200 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -15.789 2.923 -0.766 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -15.288 1.246 -0.847 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -17.550 0.488 -1.311 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -18.236 2.042 -0.879 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -17.615 3.038 -2.918 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -16.161 2.073 -3.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -17.898 1.293 -4.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -17.548 0.093 -3.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -18.958 1.028 -3.303 1.00 0.00 H new ATOM 173 N THR A 11 -15.155 1.264 3.857 1.00 0.00 N ATOM 174 CA THR A 11 -15.389 1.089 5.322 1.00 0.00 C ATOM 175 C THR A 11 -14.057 1.013 6.073 1.00 0.00 C ATOM 176 O THR A 11 -13.961 1.405 7.221 1.00 0.00 O ATOM 177 CB THR A 11 -16.151 -0.231 5.446 1.00 0.00 C ATOM 178 OG1 THR A 11 -17.202 -0.260 4.490 1.00 0.00 O ATOM 179 CG2 THR A 11 -16.735 -0.355 6.854 1.00 0.00 C ATOM 0 H THR A 11 -14.678 0.487 3.400 1.00 0.00 H new ATOM 0 HA THR A 11 -15.943 1.924 5.751 1.00 0.00 H new ATOM 0 HB THR A 11 -15.471 -1.063 5.264 1.00 0.00 H new ATOM 0 HG1 THR A 11 -17.691 -1.106 4.567 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.278 -1.296 6.941 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.928 -0.333 7.586 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.416 0.475 7.040 1.00 0.00 H new ATOM 187 N LEU A 12 -13.031 0.508 5.435 1.00 0.00 N ATOM 188 CA LEU A 12 -11.702 0.401 6.110 1.00 0.00 C ATOM 189 C LEU A 12 -10.753 1.486 5.593 1.00 0.00 C ATOM 190 O LEU A 12 -10.760 1.822 4.423 1.00 0.00 O ATOM 191 CB LEU A 12 -11.181 -0.988 5.741 1.00 0.00 C ATOM 192 CG LEU A 12 -12.069 -2.053 6.385 1.00 0.00 C ATOM 193 CD1 LEU A 12 -12.081 -3.308 5.509 1.00 0.00 C ATOM 194 CD2 LEU A 12 -11.520 -2.404 7.770 1.00 0.00 C ATOM 0 H LEU A 12 -13.057 0.165 4.475 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.777 0.536 7.189 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -11.176 -1.110 4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.152 -1.104 6.080 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.084 -1.669 6.482 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.714 -4.067 5.969 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.471 -3.059 4.522 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.066 -3.693 5.411 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.152 -3.163 8.230 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.505 -2.788 7.672 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.512 -1.511 8.395 1.00 0.00 H new ATOM 206 N LYS A 13 -9.938 2.034 6.459 1.00 0.00 N ATOM 207 CA LYS A 13 -8.983 3.099 6.030 1.00 0.00 C ATOM 208 C LYS A 13 -7.773 3.132 6.969 1.00 0.00 C ATOM 209 O LYS A 13 -7.720 2.414 7.949 1.00 0.00 O ATOM 210 CB LYS A 13 -9.775 4.404 6.131 1.00 0.00 C ATOM 211 CG LYS A 13 -10.479 4.681 4.800 1.00 0.00 C ATOM 212 CD LYS A 13 -11.010 6.116 4.794 1.00 0.00 C ATOM 213 CE LYS A 13 -11.062 6.637 3.356 1.00 0.00 C ATOM 214 NZ LYS A 13 -11.332 8.096 3.486 1.00 0.00 N ATOM 0 H LYS A 13 -9.893 1.788 7.448 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.600 2.931 5.023 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.508 4.335 6.935 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.107 5.229 6.379 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.785 4.535 3.972 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.299 3.978 4.657 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.004 6.149 5.240 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.368 6.755 5.400 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.122 6.454 2.835 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.845 6.140 2.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.382 8.525 2.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.236 8.239 3.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.567 8.544 4.029 1.00 0.00 H new ATOM 228 N GLY A 14 -6.804 3.964 6.676 1.00 0.00 N ATOM 229 CA GLY A 14 -5.597 4.051 7.547 1.00 0.00 C ATOM 230 C GLY A 14 -4.337 4.109 6.681 1.00 0.00 C ATOM 231 O GLY A 14 -4.409 4.243 5.474 1.00 0.00 O ATOM 0 H GLY A 14 -6.799 4.587 5.868 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.656 4.937 8.179 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.554 3.188 8.211 1.00 0.00 H new ATOM 235 N GLU A 15 -3.183 4.011 7.293 1.00 0.00 N ATOM 236 CA GLU A 15 -1.907 4.061 6.515 1.00 0.00 C ATOM 237 C GLU A 15 -0.988 2.906 6.926 1.00 0.00 C ATOM 238 O GLU A 15 -1.179 2.292 7.959 1.00 0.00 O ATOM 239 CB GLU A 15 -1.273 5.412 6.868 1.00 0.00 C ATOM 240 CG GLU A 15 -1.037 5.505 8.379 1.00 0.00 C ATOM 241 CD GLU A 15 -0.390 6.850 8.713 1.00 0.00 C ATOM 242 OE1 GLU A 15 0.407 7.316 7.916 1.00 0.00 O ATOM 243 OE2 GLU A 15 -0.703 7.392 9.761 1.00 0.00 O ATOM 0 H GLU A 15 -3.070 3.898 8.300 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.075 3.962 5.443 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.328 5.529 6.337 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.924 6.224 6.543 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.982 5.402 8.912 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.394 4.689 8.708 1.00 0.00 H new ATOM 250 N THR A 16 0.006 2.611 6.126 1.00 0.00 N ATOM 251 CA THR A 16 0.941 1.495 6.472 1.00 0.00 C ATOM 252 C THR A 16 2.270 1.656 5.727 1.00 0.00 C ATOM 253 O THR A 16 2.311 2.126 4.607 1.00 0.00 O ATOM 254 CB THR A 16 0.225 0.213 6.030 1.00 0.00 C ATOM 255 OG1 THR A 16 1.056 -0.907 6.302 1.00 0.00 O ATOM 256 CG2 THR A 16 -0.081 0.268 4.529 1.00 0.00 C ATOM 0 H THR A 16 0.211 3.093 5.251 1.00 0.00 H new ATOM 0 HA THR A 16 1.178 1.479 7.536 1.00 0.00 H new ATOM 0 HB THR A 16 -0.712 0.121 6.579 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.600 -1.728 6.022 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.589 -0.648 4.228 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.722 1.125 4.319 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.850 0.367 3.971 1.00 0.00 H new ATOM 264 N THR A 17 3.355 1.262 6.345 1.00 0.00 N ATOM 265 CA THR A 17 4.687 1.380 5.681 1.00 0.00 C ATOM 266 C THR A 17 5.487 0.094 5.877 1.00 0.00 C ATOM 267 O THR A 17 5.244 -0.662 6.800 1.00 0.00 O ATOM 268 CB THR A 17 5.390 2.542 6.383 1.00 0.00 C ATOM 269 OG1 THR A 17 5.310 2.362 7.790 1.00 0.00 O ATOM 270 CG2 THR A 17 4.724 3.864 5.996 1.00 0.00 C ATOM 0 H THR A 17 3.375 0.863 7.283 1.00 0.00 H new ATOM 0 HA THR A 17 4.592 1.547 4.608 1.00 0.00 H new ATOM 0 HB THR A 17 6.436 2.567 6.077 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.762 3.105 8.241 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.230 4.688 6.500 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.791 4.003 4.917 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.676 3.845 6.295 1.00 0.00 H new ATOM 278 N THR A 18 6.441 -0.158 5.018 1.00 0.00 N ATOM 279 CA THR A 18 7.260 -1.387 5.148 1.00 0.00 C ATOM 280 C THR A 18 8.717 -1.070 4.755 1.00 0.00 C ATOM 281 O THR A 18 8.992 -0.086 4.096 1.00 0.00 O ATOM 282 CB THR A 18 6.566 -2.404 4.198 1.00 0.00 C ATOM 283 OG1 THR A 18 5.873 -3.365 4.989 1.00 0.00 O ATOM 284 CG2 THR A 18 7.578 -3.126 3.301 1.00 0.00 C ATOM 0 H THR A 18 6.685 0.442 4.230 1.00 0.00 H new ATOM 0 HA THR A 18 7.317 -1.791 6.159 1.00 0.00 H new ATOM 0 HB THR A 18 5.878 -1.858 3.553 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.468 -2.921 5.763 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.054 -3.828 2.652 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.110 -2.396 2.691 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.291 -3.669 3.921 1.00 0.00 H new ATOM 292 N GLU A 19 9.636 -1.915 5.145 1.00 0.00 N ATOM 293 CA GLU A 19 11.067 -1.695 4.788 1.00 0.00 C ATOM 294 C GLU A 19 11.557 -2.859 3.926 1.00 0.00 C ATOM 295 O GLU A 19 11.496 -4.005 4.331 1.00 0.00 O ATOM 296 CB GLU A 19 11.815 -1.657 6.121 1.00 0.00 C ATOM 297 CG GLU A 19 13.262 -1.215 5.883 1.00 0.00 C ATOM 298 CD GLU A 19 14.170 -2.446 5.810 1.00 0.00 C ATOM 299 OE1 GLU A 19 14.316 -2.986 4.726 1.00 0.00 O ATOM 300 OE2 GLU A 19 14.703 -2.826 6.839 1.00 0.00 O ATOM 0 H GLU A 19 9.454 -2.752 5.698 1.00 0.00 H new ATOM 0 HA GLU A 19 11.223 -0.778 4.220 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.322 -0.969 6.807 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.797 -2.641 6.589 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.331 -0.644 4.957 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.589 -0.557 6.688 1.00 0.00 H new ATOM 307 N ALA A 20 12.027 -2.578 2.737 1.00 0.00 N ATOM 308 CA ALA A 20 12.504 -3.676 1.843 1.00 0.00 C ATOM 309 C ALA A 20 13.478 -3.138 0.791 1.00 0.00 C ATOM 310 O ALA A 20 13.758 -1.956 0.735 1.00 0.00 O ATOM 311 CB ALA A 20 11.235 -4.204 1.173 1.00 0.00 C ATOM 0 H ALA A 20 12.101 -1.638 2.348 1.00 0.00 H new ATOM 0 HA ALA A 20 13.040 -4.450 2.393 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.493 -5.018 0.495 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.547 -4.571 1.935 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.759 -3.401 0.611 1.00 0.00 H new ATOM 317 N VAL A 21 13.993 -4.007 -0.043 1.00 0.00 N ATOM 318 CA VAL A 21 14.954 -3.566 -1.104 1.00 0.00 C ATOM 319 C VAL A 21 14.300 -2.529 -2.017 1.00 0.00 C ATOM 320 O VAL A 21 14.933 -1.590 -2.462 1.00 0.00 O ATOM 321 CB VAL A 21 15.293 -4.836 -1.902 1.00 0.00 C ATOM 322 CG1 VAL A 21 14.024 -5.424 -2.535 1.00 0.00 C ATOM 323 CG2 VAL A 21 16.299 -4.497 -3.006 1.00 0.00 C ATOM 0 H VAL A 21 13.789 -5.006 -0.036 1.00 0.00 H new ATOM 0 HA VAL A 21 15.843 -3.103 -0.677 1.00 0.00 H new ATOM 0 HB VAL A 21 15.725 -5.571 -1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.280 -6.322 -3.097 1.00 0.00 H new ATOM 0 HG12 VAL A 21 13.310 -5.677 -1.751 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.579 -4.690 -3.207 1.00 0.00 H new ATOM 0 HG21 VAL A 21 16.538 -5.399 -3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 21 15.867 -3.753 -3.676 1.00 0.00 H new ATOM 0 HG23 VAL A 21 17.209 -4.097 -2.559 1.00 0.00 H new ATOM 333 N ASP A 22 13.043 -2.715 -2.313 1.00 0.00 N ATOM 334 CA ASP A 22 12.341 -1.770 -3.217 1.00 0.00 C ATOM 335 C ASP A 22 10.837 -1.815 -2.947 1.00 0.00 C ATOM 336 O ASP A 22 10.331 -2.769 -2.385 1.00 0.00 O ATOM 337 CB ASP A 22 12.661 -2.299 -4.612 1.00 0.00 C ATOM 338 CG ASP A 22 12.037 -1.382 -5.666 1.00 0.00 C ATOM 339 OD1 ASP A 22 10.871 -1.571 -5.971 1.00 0.00 O ATOM 340 OD2 ASP A 22 12.736 -0.507 -6.150 1.00 0.00 O ATOM 0 H ASP A 22 12.472 -3.485 -1.964 1.00 0.00 H new ATOM 0 HA ASP A 22 12.649 -0.733 -3.085 1.00 0.00 H new ATOM 0 HB2 ASP A 22 13.741 -2.350 -4.753 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.277 -3.313 -4.724 1.00 0.00 H new ATOM 345 N ALA A 23 10.120 -0.795 -3.341 1.00 0.00 N ATOM 346 CA ALA A 23 8.643 -0.781 -3.104 1.00 0.00 C ATOM 347 C ALA A 23 7.981 -1.953 -3.832 1.00 0.00 C ATOM 348 O ALA A 23 6.937 -2.431 -3.428 1.00 0.00 O ATOM 349 CB ALA A 23 8.152 0.555 -3.666 1.00 0.00 C ATOM 0 H ALA A 23 10.491 0.028 -3.816 1.00 0.00 H new ATOM 0 HA ALA A 23 8.396 -0.884 -2.047 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.074 0.634 -3.526 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.647 1.374 -3.143 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.385 0.610 -4.729 1.00 0.00 H new ATOM 355 N ALA A 24 8.585 -2.428 -4.895 1.00 0.00 N ATOM 356 CA ALA A 24 7.994 -3.582 -5.642 1.00 0.00 C ATOM 357 C ALA A 24 7.891 -4.793 -4.712 1.00 0.00 C ATOM 358 O ALA A 24 6.868 -5.446 -4.638 1.00 0.00 O ATOM 359 CB ALA A 24 8.967 -3.867 -6.789 1.00 0.00 C ATOM 0 H ALA A 24 9.459 -2.067 -5.276 1.00 0.00 H new ATOM 0 HA ALA A 24 6.992 -3.367 -6.014 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.597 -4.704 -7.381 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.051 -2.984 -7.422 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.947 -4.116 -6.382 1.00 0.00 H new ATOM 365 N THR A 25 8.944 -5.081 -3.992 1.00 0.00 N ATOM 366 CA THR A 25 8.921 -6.239 -3.048 1.00 0.00 C ATOM 367 C THR A 25 7.968 -5.936 -1.885 1.00 0.00 C ATOM 368 O THR A 25 7.114 -6.739 -1.544 1.00 0.00 O ATOM 369 CB THR A 25 10.372 -6.381 -2.554 1.00 0.00 C ATOM 370 OG1 THR A 25 11.184 -6.853 -3.620 1.00 0.00 O ATOM 371 CG2 THR A 25 10.448 -7.371 -1.382 1.00 0.00 C ATOM 0 H THR A 25 9.822 -4.563 -4.017 1.00 0.00 H new ATOM 0 HA THR A 25 8.569 -7.159 -3.515 1.00 0.00 H new ATOM 0 HB THR A 25 10.726 -5.407 -2.215 1.00 0.00 H new ATOM 0 HG1 THR A 25 12.007 -7.243 -3.257 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.481 -7.459 -1.046 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.829 -7.011 -0.561 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.088 -8.347 -1.707 1.00 0.00 H new ATOM 379 N ALA A 26 8.112 -4.786 -1.270 1.00 0.00 N ATOM 380 CA ALA A 26 7.221 -4.440 -0.124 1.00 0.00 C ATOM 381 C ALA A 26 5.763 -4.441 -0.576 1.00 0.00 C ATOM 382 O ALA A 26 4.942 -5.143 -0.030 1.00 0.00 O ATOM 383 CB ALA A 26 7.635 -3.033 0.319 1.00 0.00 C ATOM 0 H ALA A 26 8.805 -4.078 -1.512 1.00 0.00 H new ATOM 0 HA ALA A 26 7.313 -5.160 0.689 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.016 -2.720 1.160 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.682 -3.040 0.621 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.501 -2.337 -0.509 1.00 0.00 H new ATOM 389 N GLU A 27 5.445 -3.650 -1.574 1.00 0.00 N ATOM 390 CA GLU A 27 4.034 -3.565 -2.085 1.00 0.00 C ATOM 391 C GLU A 27 3.368 -4.947 -2.183 1.00 0.00 C ATOM 392 O GLU A 27 2.187 -5.086 -1.926 1.00 0.00 O ATOM 393 CB GLU A 27 4.154 -2.926 -3.470 1.00 0.00 C ATOM 394 CG GLU A 27 2.759 -2.684 -4.051 1.00 0.00 C ATOM 395 CD GLU A 27 2.852 -2.575 -5.574 1.00 0.00 C ATOM 396 OE1 GLU A 27 3.502 -3.417 -6.170 1.00 0.00 O ATOM 397 OE2 GLU A 27 2.271 -1.650 -6.118 1.00 0.00 O ATOM 0 H GLU A 27 6.110 -3.051 -2.064 1.00 0.00 H new ATOM 0 HA GLU A 27 3.406 -2.986 -1.408 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.697 -1.984 -3.400 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.726 -3.576 -4.132 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.092 -3.500 -3.774 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.334 -1.770 -3.636 1.00 0.00 H new ATOM 404 N LYS A 28 4.118 -5.971 -2.519 1.00 0.00 N ATOM 405 CA LYS A 28 3.516 -7.340 -2.589 1.00 0.00 C ATOM 406 C LYS A 28 3.046 -7.729 -1.189 1.00 0.00 C ATOM 407 O LYS A 28 1.948 -8.218 -0.999 1.00 0.00 O ATOM 408 CB LYS A 28 4.641 -8.267 -3.054 1.00 0.00 C ATOM 409 CG LYS A 28 5.125 -7.841 -4.441 1.00 0.00 C ATOM 410 CD LYS A 28 6.575 -8.290 -4.631 1.00 0.00 C ATOM 411 CE LYS A 28 6.600 -9.669 -5.294 1.00 0.00 C ATOM 412 NZ LYS A 28 6.722 -9.392 -6.752 1.00 0.00 N ATOM 0 H LYS A 28 5.111 -5.919 -2.746 1.00 0.00 H new ATOM 0 HA LYS A 28 2.664 -7.395 -3.266 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.468 -8.234 -2.345 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.287 -9.297 -3.083 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.492 -8.282 -5.211 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.050 -6.759 -4.548 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.112 -7.569 -5.247 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.084 -8.329 -3.668 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.438 -10.265 -4.934 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.692 -10.230 -5.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.746 -10.290 -7.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.907 -8.829 -7.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.599 -8.863 -6.933 1.00 0.00 H new ATOM 426 N VAL A 29 3.869 -7.474 -0.204 1.00 0.00 N ATOM 427 CA VAL A 29 3.478 -7.780 1.204 1.00 0.00 C ATOM 428 C VAL A 29 2.342 -6.837 1.609 1.00 0.00 C ATOM 429 O VAL A 29 1.435 -7.217 2.324 1.00 0.00 O ATOM 430 CB VAL A 29 4.751 -7.520 2.037 1.00 0.00 C ATOM 431 CG1 VAL A 29 4.415 -7.392 3.532 1.00 0.00 C ATOM 432 CG2 VAL A 29 5.726 -8.683 1.839 1.00 0.00 C ATOM 0 H VAL A 29 4.797 -7.066 -0.315 1.00 0.00 H new ATOM 0 HA VAL A 29 3.123 -8.800 1.347 1.00 0.00 H new ATOM 0 HB VAL A 29 5.200 -6.585 1.702 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.330 -7.209 4.096 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.725 -6.561 3.680 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.952 -8.315 3.881 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.628 -8.506 2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.257 -9.611 2.167 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.989 -8.762 0.784 1.00 0.00 H new ATOM 442 N LEU A 30 2.393 -5.606 1.166 1.00 0.00 N ATOM 443 CA LEU A 30 1.318 -4.645 1.536 1.00 0.00 C ATOM 444 C LEU A 30 0.010 -5.118 0.907 1.00 0.00 C ATOM 445 O LEU A 30 -1.053 -4.964 1.471 1.00 0.00 O ATOM 446 CB LEU A 30 1.766 -3.286 0.967 1.00 0.00 C ATOM 447 CG LEU A 30 2.867 -2.607 1.834 1.00 0.00 C ATOM 448 CD1 LEU A 30 2.237 -1.796 2.960 1.00 0.00 C ATOM 449 CD2 LEU A 30 3.839 -3.614 2.458 1.00 0.00 C ATOM 0 H LEU A 30 3.129 -5.230 0.568 1.00 0.00 H new ATOM 0 HA LEU A 30 1.155 -4.569 2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.142 -3.427 -0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.903 -2.623 0.898 1.00 0.00 H new ATOM 0 HG LEU A 30 3.426 -1.962 1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.022 -1.329 3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.594 -1.024 2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.644 -2.454 3.595 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.583 -3.082 3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.288 -4.302 3.100 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.338 -4.176 1.668 1.00 0.00 H new ATOM 461 N LYS A 31 0.095 -5.742 -0.244 1.00 0.00 N ATOM 462 CA LYS A 31 -1.133 -6.285 -0.898 1.00 0.00 C ATOM 463 C LYS A 31 -1.715 -7.359 0.011 1.00 0.00 C ATOM 464 O LYS A 31 -2.902 -7.413 0.264 1.00 0.00 O ATOM 465 CB LYS A 31 -0.650 -6.927 -2.199 1.00 0.00 C ATOM 466 CG LYS A 31 -1.790 -6.947 -3.225 1.00 0.00 C ATOM 467 CD LYS A 31 -2.793 -8.057 -2.875 1.00 0.00 C ATOM 468 CE LYS A 31 -2.078 -9.416 -2.838 1.00 0.00 C ATOM 469 NZ LYS A 31 -2.858 -10.297 -3.751 1.00 0.00 N ATOM 0 H LYS A 31 0.963 -5.898 -0.757 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.890 -5.522 -1.082 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.199 -6.370 -2.596 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.304 -7.943 -2.007 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.295 -5.981 -3.239 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.388 -7.111 -4.225 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.253 -7.852 -1.908 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.596 -8.079 -3.612 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.043 -9.325 -3.169 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.055 -9.821 -1.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.426 -11.243 -3.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.837 -10.372 -3.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.857 -9.892 -4.709 1.00 0.00 H new ATOM 483 N GLN A 32 -0.857 -8.205 0.522 1.00 0.00 N ATOM 484 CA GLN A 32 -1.314 -9.284 1.449 1.00 0.00 C ATOM 485 C GLN A 32 -2.075 -8.656 2.621 1.00 0.00 C ATOM 486 O GLN A 32 -3.099 -9.153 3.049 1.00 0.00 O ATOM 487 CB GLN A 32 -0.040 -9.965 1.934 1.00 0.00 C ATOM 488 CG GLN A 32 0.272 -11.165 1.037 1.00 0.00 C ATOM 489 CD GLN A 32 1.759 -11.510 1.145 1.00 0.00 C ATOM 490 OE1 GLN A 32 2.334 -11.444 2.213 1.00 0.00 O ATOM 491 NE2 GLN A 32 2.410 -11.880 0.076 1.00 0.00 N ATOM 0 H GLN A 32 0.146 -8.194 0.336 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.985 -9.996 0.968 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.791 -9.260 1.917 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.160 -10.291 2.967 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -0.333 -12.021 1.334 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.015 -10.936 0.003 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.928 -11.936 -0.821 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.401 -12.114 0.138 1.00 0.00 H new ATOM 500 N TYR A 33 -1.592 -7.540 3.112 1.00 0.00 N ATOM 501 CA TYR A 33 -2.299 -6.839 4.227 1.00 0.00 C ATOM 502 C TYR A 33 -3.669 -6.379 3.716 1.00 0.00 C ATOM 503 O TYR A 33 -4.672 -6.489 4.396 1.00 0.00 O ATOM 504 CB TYR A 33 -1.408 -5.640 4.574 1.00 0.00 C ATOM 505 CG TYR A 33 -2.082 -4.798 5.624 1.00 0.00 C ATOM 506 CD1 TYR A 33 -2.034 -5.196 6.958 1.00 0.00 C ATOM 507 CD2 TYR A 33 -2.762 -3.633 5.259 1.00 0.00 C ATOM 508 CE1 TYR A 33 -2.666 -4.431 7.937 1.00 0.00 C ATOM 509 CE2 TYR A 33 -3.394 -2.862 6.238 1.00 0.00 C ATOM 510 CZ TYR A 33 -3.348 -3.260 7.580 1.00 0.00 C ATOM 511 OH TYR A 33 -3.974 -2.502 8.548 1.00 0.00 O ATOM 0 H TYR A 33 -0.738 -7.085 2.788 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.463 -7.468 5.102 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.440 -5.986 4.937 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.219 -5.044 3.681 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.507 -6.097 7.234 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.799 -3.329 4.223 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.630 -4.741 8.971 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.918 -1.959 5.960 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.398 -1.724 8.130 1.00 0.00 H new ATOM 521 N ILE A 34 -3.705 -5.882 2.508 1.00 0.00 N ATOM 522 CA ILE A 34 -4.996 -5.424 1.910 1.00 0.00 C ATOM 523 C ILE A 34 -5.916 -6.634 1.711 1.00 0.00 C ATOM 524 O ILE A 34 -7.126 -6.522 1.762 1.00 0.00 O ATOM 525 CB ILE A 34 -4.607 -4.806 0.560 1.00 0.00 C ATOM 526 CG1 ILE A 34 -3.652 -3.611 0.801 1.00 0.00 C ATOM 527 CG2 ILE A 34 -5.867 -4.370 -0.211 1.00 0.00 C ATOM 528 CD1 ILE A 34 -4.423 -2.347 1.202 1.00 0.00 C ATOM 0 H ILE A 34 -2.890 -5.772 1.905 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.529 -4.710 2.538 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.090 -5.548 -0.048 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.938 -3.867 1.584 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.076 -3.416 -0.104 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.576 -3.933 -1.166 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.504 -5.237 -0.387 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.414 -3.631 0.374 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.721 -1.529 1.363 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.118 -2.078 0.407 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.978 -2.535 2.121 1.00 0.00 H new ATOM 540 N ASN A 35 -5.342 -7.791 1.484 1.00 0.00 N ATOM 541 CA ASN A 35 -6.167 -9.022 1.280 1.00 0.00 C ATOM 542 C ASN A 35 -7.038 -9.289 2.511 1.00 0.00 C ATOM 543 O ASN A 35 -8.106 -9.863 2.412 1.00 0.00 O ATOM 544 CB ASN A 35 -5.156 -10.155 1.085 1.00 0.00 C ATOM 545 CG ASN A 35 -5.881 -11.404 0.581 1.00 0.00 C ATOM 546 OD1 ASN A 35 -6.390 -12.182 1.363 1.00 0.00 O ATOM 547 ND2 ASN A 35 -5.949 -11.631 -0.702 1.00 0.00 N ATOM 0 H ASN A 35 -4.334 -7.935 1.431 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.841 -8.926 0.429 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.389 -9.854 0.371 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.649 -10.370 2.026 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.429 -12.461 -1.048 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.522 -10.978 -1.359 1.00 0.00 H new ATOM 554 N ASP A 36 -6.586 -8.874 3.668 1.00 0.00 N ATOM 555 CA ASP A 36 -7.383 -9.098 4.912 1.00 0.00 C ATOM 556 C ASP A 36 -8.531 -8.088 4.994 1.00 0.00 C ATOM 557 O ASP A 36 -9.677 -8.454 5.175 1.00 0.00 O ATOM 558 CB ASP A 36 -6.397 -8.885 6.063 1.00 0.00 C ATOM 559 CG ASP A 36 -6.943 -9.542 7.331 1.00 0.00 C ATOM 560 OD1 ASP A 36 -6.861 -10.756 7.428 1.00 0.00 O ATOM 561 OD2 ASP A 36 -7.433 -8.822 8.185 1.00 0.00 O ATOM 0 H ASP A 36 -5.699 -8.389 3.804 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.831 -10.091 4.940 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.427 -9.312 5.808 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.242 -7.819 6.231 1.00 0.00 H new ATOM 566 N ASN A 37 -8.229 -6.822 4.858 1.00 0.00 N ATOM 567 CA ASN A 37 -9.300 -5.780 4.925 1.00 0.00 C ATOM 568 C ASN A 37 -10.297 -5.976 3.779 1.00 0.00 C ATOM 569 O ASN A 37 -11.462 -5.647 3.897 1.00 0.00 O ATOM 570 CB ASN A 37 -8.574 -4.441 4.779 1.00 0.00 C ATOM 571 CG ASN A 37 -7.668 -4.216 5.990 1.00 0.00 C ATOM 572 OD1 ASN A 37 -8.016 -4.572 7.099 1.00 0.00 O ATOM 573 ND2 ASN A 37 -6.510 -3.636 5.825 1.00 0.00 N ATOM 0 H ASN A 37 -7.287 -6.464 4.703 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.865 -5.833 5.856 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.983 -4.434 3.863 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.298 -3.630 4.698 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.898 -3.482 6.626 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.217 -3.337 4.895 1.00 0.00 H new ATOM 580 N GLY A 38 -9.844 -6.511 2.674 1.00 0.00 N ATOM 581 CA GLY A 38 -10.756 -6.735 1.514 1.00 0.00 C ATOM 582 C GLY A 38 -10.875 -5.447 0.698 1.00 0.00 C ATOM 583 O GLY A 38 -11.906 -5.165 0.117 1.00 0.00 O ATOM 0 H GLY A 38 -8.878 -6.803 2.526 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.373 -7.540 0.887 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.739 -7.046 1.867 1.00 0.00 H new ATOM 587 N ILE A 39 -9.826 -4.665 0.650 1.00 0.00 N ATOM 588 CA ILE A 39 -9.869 -3.391 -0.129 1.00 0.00 C ATOM 589 C ILE A 39 -8.873 -3.453 -1.292 1.00 0.00 C ATOM 590 O ILE A 39 -7.857 -2.784 -1.287 1.00 0.00 O ATOM 591 CB ILE A 39 -9.474 -2.296 0.871 1.00 0.00 C ATOM 592 CG1 ILE A 39 -10.465 -2.278 2.048 1.00 0.00 C ATOM 593 CG2 ILE A 39 -9.480 -0.930 0.174 1.00 0.00 C ATOM 594 CD1 ILE A 39 -11.889 -2.004 1.544 1.00 0.00 C ATOM 0 H ILE A 39 -8.940 -4.855 1.118 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.851 -3.203 -0.563 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.473 -2.505 1.248 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.435 -3.234 2.571 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.173 -1.512 2.766 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.199 -0.156 0.888 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.767 -0.939 -0.651 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.478 -0.723 -0.212 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.578 -1.994 2.388 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.917 -1.037 1.041 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.184 -2.786 0.844 1.00 0.00 H new ATOM 606 N ASP A 40 -9.163 -4.250 -2.289 1.00 0.00 N ATOM 607 CA ASP A 40 -8.242 -4.359 -3.460 1.00 0.00 C ATOM 608 C ASP A 40 -8.920 -3.793 -4.710 1.00 0.00 C ATOM 609 O ASP A 40 -9.696 -4.466 -5.363 1.00 0.00 O ATOM 610 CB ASP A 40 -7.981 -5.857 -3.621 1.00 0.00 C ATOM 611 CG ASP A 40 -6.587 -6.071 -4.214 1.00 0.00 C ATOM 612 OD1 ASP A 40 -5.622 -5.772 -3.530 1.00 0.00 O ATOM 613 OD2 ASP A 40 -6.508 -6.531 -5.341 1.00 0.00 O ATOM 0 H ASP A 40 -10.000 -4.831 -2.342 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.317 -3.800 -3.316 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.058 -6.356 -2.655 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.736 -6.301 -4.270 1.00 0.00 H new ATOM 618 N GLY A 41 -8.637 -2.559 -5.042 1.00 0.00 N ATOM 619 CA GLY A 41 -9.268 -1.940 -6.244 1.00 0.00 C ATOM 620 C GLY A 41 -8.195 -1.290 -7.120 1.00 0.00 C ATOM 621 O GLY A 41 -7.646 -1.916 -8.008 1.00 0.00 O ATOM 0 H GLY A 41 -7.995 -1.953 -4.531 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.805 -2.698 -6.814 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.000 -1.193 -5.937 1.00 0.00 H new ATOM 625 N GLU A 42 -7.902 -0.036 -6.883 1.00 0.00 N ATOM 626 CA GLU A 42 -6.871 0.666 -7.708 1.00 0.00 C ATOM 627 C GLU A 42 -5.853 1.372 -6.810 1.00 0.00 C ATOM 628 O GLU A 42 -6.203 2.211 -6.001 1.00 0.00 O ATOM 629 CB GLU A 42 -7.656 1.690 -8.538 1.00 0.00 C ATOM 630 CG GLU A 42 -7.682 1.257 -10.007 1.00 0.00 C ATOM 631 CD GLU A 42 -9.005 1.690 -10.643 1.00 0.00 C ATOM 632 OE1 GLU A 42 -9.990 1.000 -10.439 1.00 0.00 O ATOM 633 OE2 GLU A 42 -9.009 2.703 -11.322 1.00 0.00 O ATOM 0 H GLU A 42 -8.332 0.532 -6.154 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.309 -0.026 -8.335 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.674 1.777 -8.157 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.196 2.674 -8.448 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.845 1.703 -10.544 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.568 0.176 -10.081 1.00 0.00 H new ATOM 640 N TRP A 43 -4.595 1.041 -6.957 1.00 0.00 N ATOM 641 CA TRP A 43 -3.543 1.692 -6.124 1.00 0.00 C ATOM 642 C TRP A 43 -2.899 2.836 -6.909 1.00 0.00 C ATOM 643 O TRP A 43 -3.065 2.946 -8.109 1.00 0.00 O ATOM 644 CB TRP A 43 -2.486 0.613 -5.867 1.00 0.00 C ATOM 645 CG TRP A 43 -2.987 -0.465 -4.950 1.00 0.00 C ATOM 646 CD1 TRP A 43 -4.276 -0.859 -4.787 1.00 0.00 C ATOM 647 CD2 TRP A 43 -2.196 -1.304 -4.068 1.00 0.00 C ATOM 648 NE1 TRP A 43 -4.310 -1.901 -3.881 1.00 0.00 N ATOM 649 CE2 TRP A 43 -3.055 -2.203 -3.403 1.00 0.00 C ATOM 650 CE3 TRP A 43 -0.822 -1.368 -3.789 1.00 0.00 C ATOM 651 CZ2 TRP A 43 -2.570 -3.135 -2.492 1.00 0.00 C ATOM 652 CZ3 TRP A 43 -0.329 -2.304 -2.867 1.00 0.00 C ATOM 653 CH2 TRP A 43 -1.201 -3.185 -2.221 1.00 0.00 C ATOM 0 H TRP A 43 -4.252 0.346 -7.620 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.958 2.094 -5.199 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.184 0.169 -6.816 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.598 1.073 -5.433 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.133 -0.429 -5.284 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.161 -2.387 -3.600 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.141 -0.694 -4.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.247 -3.815 -1.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.729 -2.344 -2.656 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.816 -3.904 -1.513 1.00 0.00 H new ATOM 664 N THR A 44 -2.140 3.665 -6.244 1.00 0.00 N ATOM 665 CA THR A 44 -1.446 4.785 -6.945 1.00 0.00 C ATOM 666 C THR A 44 -0.137 5.096 -6.222 1.00 0.00 C ATOM 667 O THR A 44 -0.105 5.244 -5.015 1.00 0.00 O ATOM 668 CB THR A 44 -2.394 5.985 -6.888 1.00 0.00 C ATOM 669 OG1 THR A 44 -2.625 6.347 -5.535 1.00 0.00 O ATOM 670 CG2 THR A 44 -3.722 5.632 -7.562 1.00 0.00 C ATOM 0 H THR A 44 -1.970 3.615 -5.240 1.00 0.00 H new ATOM 0 HA THR A 44 -1.206 4.535 -7.978 1.00 0.00 H new ATOM 0 HB THR A 44 -1.940 6.825 -7.414 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.231 7.116 -5.501 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.392 6.491 -7.518 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.542 5.365 -8.603 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.179 4.788 -7.045 1.00 0.00 H new ATOM 678 N TYR A 45 0.940 5.183 -6.953 1.00 0.00 N ATOM 679 CA TYR A 45 2.260 5.471 -6.319 1.00 0.00 C ATOM 680 C TYR A 45 2.487 6.988 -6.244 1.00 0.00 C ATOM 681 O TYR A 45 1.803 7.755 -6.894 1.00 0.00 O ATOM 682 CB TYR A 45 3.290 4.814 -7.244 1.00 0.00 C ATOM 683 CG TYR A 45 4.684 5.046 -6.710 1.00 0.00 C ATOM 684 CD1 TYR A 45 5.039 4.568 -5.443 1.00 0.00 C ATOM 685 CD2 TYR A 45 5.621 5.743 -7.482 1.00 0.00 C ATOM 686 CE1 TYR A 45 6.330 4.786 -4.949 1.00 0.00 C ATOM 687 CE2 TYR A 45 6.912 5.960 -6.989 1.00 0.00 C ATOM 688 CZ TYR A 45 7.267 5.482 -5.722 1.00 0.00 C ATOM 689 OH TYR A 45 8.540 5.696 -5.235 1.00 0.00 O ATOM 0 H TYR A 45 0.964 5.067 -7.966 1.00 0.00 H new ATOM 0 HA TYR A 45 2.327 5.090 -5.300 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.094 3.744 -7.320 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.203 5.226 -8.250 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.316 4.031 -4.847 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.347 6.113 -8.459 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.604 4.417 -3.971 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.635 6.496 -7.586 1.00 0.00 H new ATOM 0 HH TYR A 45 8.699 5.109 -4.466 1.00 0.00 H new ATOM 699 N ASP A 46 3.449 7.420 -5.466 1.00 0.00 N ATOM 700 CA ASP A 46 3.731 8.886 -5.359 1.00 0.00 C ATOM 701 C ASP A 46 5.241 9.126 -5.322 1.00 0.00 C ATOM 702 O ASP A 46 5.957 8.507 -4.557 1.00 0.00 O ATOM 703 CB ASP A 46 3.091 9.350 -4.043 1.00 0.00 C ATOM 704 CG ASP A 46 1.610 8.958 -4.007 1.00 0.00 C ATOM 705 OD1 ASP A 46 1.326 7.824 -3.656 1.00 0.00 O ATOM 706 OD2 ASP A 46 0.787 9.798 -4.332 1.00 0.00 O ATOM 0 H ASP A 46 4.051 6.821 -4.901 1.00 0.00 H new ATOM 0 HA ASP A 46 3.329 9.434 -6.211 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.614 8.902 -3.198 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.191 10.431 -3.943 1.00 0.00 H new ATOM 711 N ASP A 47 5.727 10.027 -6.138 1.00 0.00 N ATOM 712 CA ASP A 47 7.194 10.319 -6.151 1.00 0.00 C ATOM 713 C ASP A 47 7.593 11.177 -4.938 1.00 0.00 C ATOM 714 O ASP A 47 8.757 11.469 -4.740 1.00 0.00 O ATOM 715 CB ASP A 47 7.435 11.087 -7.452 1.00 0.00 C ATOM 716 CG ASP A 47 8.931 11.361 -7.614 1.00 0.00 C ATOM 717 OD1 ASP A 47 9.664 10.416 -7.852 1.00 0.00 O ATOM 718 OD2 ASP A 47 9.318 12.513 -7.498 1.00 0.00 O ATOM 0 H ASP A 47 5.172 10.574 -6.796 1.00 0.00 H new ATOM 0 HA ASP A 47 7.789 9.407 -6.095 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.066 10.511 -8.300 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.882 12.026 -7.440 1.00 0.00 H new ATOM 723 N ALA A 48 6.642 11.583 -4.124 1.00 0.00 N ATOM 724 CA ALA A 48 6.975 12.419 -2.927 1.00 0.00 C ATOM 725 C ALA A 48 7.954 11.672 -2.015 1.00 0.00 C ATOM 726 O ALA A 48 9.122 12.004 -1.936 1.00 0.00 O ATOM 727 CB ALA A 48 5.638 12.636 -2.212 1.00 0.00 C ATOM 0 H ALA A 48 5.651 11.370 -4.239 1.00 0.00 H new ATOM 0 HA ALA A 48 7.451 13.361 -3.201 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.797 13.242 -1.320 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.947 13.148 -2.881 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.218 11.672 -1.925 1.00 0.00 H new ATOM 733 N THR A 49 7.480 10.665 -1.330 1.00 0.00 N ATOM 734 CA THR A 49 8.363 9.880 -0.419 1.00 0.00 C ATOM 735 C THR A 49 8.121 8.384 -0.638 1.00 0.00 C ATOM 736 O THR A 49 8.078 7.608 0.297 1.00 0.00 O ATOM 737 CB THR A 49 7.941 10.297 0.995 1.00 0.00 C ATOM 738 OG1 THR A 49 8.747 9.619 1.948 1.00 0.00 O ATOM 739 CG2 THR A 49 6.469 9.938 1.220 1.00 0.00 C ATOM 0 H THR A 49 6.510 10.350 -1.363 1.00 0.00 H new ATOM 0 HA THR A 49 9.423 10.065 -0.593 1.00 0.00 H new ATOM 0 HB THR A 49 8.070 11.373 1.109 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.789 8.666 1.722 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.172 10.235 2.226 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.851 10.460 0.489 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.335 8.862 1.105 1.00 0.00 H new ATOM 747 N LYS A 50 7.941 7.985 -1.870 1.00 0.00 N ATOM 748 CA LYS A 50 7.676 6.546 -2.186 1.00 0.00 C ATOM 749 C LYS A 50 6.430 6.056 -1.440 1.00 0.00 C ATOM 750 O LYS A 50 6.461 5.054 -0.752 1.00 0.00 O ATOM 751 CB LYS A 50 8.923 5.765 -1.742 1.00 0.00 C ATOM 752 CG LYS A 50 10.168 6.319 -2.451 1.00 0.00 C ATOM 753 CD LYS A 50 11.031 7.103 -1.455 1.00 0.00 C ATOM 754 CE LYS A 50 12.166 6.211 -0.945 1.00 0.00 C ATOM 755 NZ LYS A 50 12.650 6.877 0.297 1.00 0.00 N ATOM 0 H LYS A 50 7.966 8.602 -2.682 1.00 0.00 H new ATOM 0 HA LYS A 50 7.487 6.402 -3.250 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.045 5.842 -0.662 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.802 4.707 -1.975 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.746 5.501 -2.881 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.870 6.967 -3.275 1.00 0.00 H new ATOM 0 HD2 LYS A 50 11.441 7.992 -1.935 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.420 7.445 -0.619 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.812 5.201 -0.739 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.963 6.125 -1.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 13.430 6.324 0.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.987 7.834 0.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.872 6.938 0.984 1.00 0.00 H new ATOM 769 N THR A 51 5.332 6.757 -1.585 1.00 0.00 N ATOM 770 CA THR A 51 4.071 6.340 -0.901 1.00 0.00 C ATOM 771 C THR A 51 3.190 5.556 -1.877 1.00 0.00 C ATOM 772 O THR A 51 3.477 5.480 -3.057 1.00 0.00 O ATOM 773 CB THR A 51 3.384 7.647 -0.495 1.00 0.00 C ATOM 774 OG1 THR A 51 4.311 8.477 0.187 1.00 0.00 O ATOM 775 CG2 THR A 51 2.197 7.344 0.424 1.00 0.00 C ATOM 0 H THR A 51 5.256 7.603 -2.150 1.00 0.00 H new ATOM 0 HA THR A 51 4.258 5.697 -0.041 1.00 0.00 H new ATOM 0 HB THR A 51 3.026 8.158 -1.389 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.343 8.223 1.133 1.00 0.00 H new ATOM 0 HG21 THR A 51 1.711 8.277 0.710 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.483 6.709 -0.101 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.551 6.830 1.318 1.00 0.00 H new ATOM 783 N TRP A 52 2.123 4.970 -1.395 1.00 0.00 N ATOM 784 CA TRP A 52 1.224 4.187 -2.290 1.00 0.00 C ATOM 785 C TRP A 52 -0.244 4.456 -1.947 1.00 0.00 C ATOM 786 O TRP A 52 -0.557 5.321 -1.152 1.00 0.00 O ATOM 787 CB TRP A 52 1.557 2.731 -1.998 1.00 0.00 C ATOM 788 CG TRP A 52 2.833 2.345 -2.663 1.00 0.00 C ATOM 789 CD1 TRP A 52 4.054 2.350 -2.085 1.00 0.00 C ATOM 790 CD2 TRP A 52 3.023 1.878 -4.018 1.00 0.00 C ATOM 791 NE1 TRP A 52 4.988 1.927 -3.017 1.00 0.00 N ATOM 792 CE2 TRP A 52 4.395 1.623 -4.228 1.00 0.00 C ATOM 793 CE3 TRP A 52 2.133 1.662 -5.073 1.00 0.00 C ATOM 794 CZ2 TRP A 52 4.871 1.166 -5.458 1.00 0.00 C ATOM 795 CZ3 TRP A 52 2.601 1.200 -6.314 1.00 0.00 C ATOM 796 CH2 TRP A 52 3.970 0.953 -6.506 1.00 0.00 C ATOM 0 H TRP A 52 1.837 5.002 -0.416 1.00 0.00 H new ATOM 0 HA TRP A 52 1.365 4.451 -3.338 1.00 0.00 H new ATOM 0 HB2 TRP A 52 1.640 2.579 -0.922 1.00 0.00 H new ATOM 0 HB3 TRP A 52 0.749 2.089 -2.349 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.267 2.636 -1.066 1.00 0.00 H new ATOM 0 HE1 TRP A 52 5.988 1.850 -2.832 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.079 1.851 -4.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.925 0.979 -5.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 1.906 1.034 -7.123 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.327 0.599 -7.462 1.00 0.00 H new ATOM 807 N THR A 53 -1.144 3.708 -2.540 1.00 0.00 N ATOM 808 CA THR A 53 -2.599 3.898 -2.251 1.00 0.00 C ATOM 809 C THR A 53 -3.377 2.620 -2.596 1.00 0.00 C ATOM 810 O THR A 53 -2.826 1.673 -3.124 1.00 0.00 O ATOM 811 CB THR A 53 -3.047 5.055 -3.149 1.00 0.00 C ATOM 812 OG1 THR A 53 -2.062 6.079 -3.138 1.00 0.00 O ATOM 813 CG2 THR A 53 -4.372 5.621 -2.635 1.00 0.00 C ATOM 0 H THR A 53 -0.932 2.972 -3.214 1.00 0.00 H new ATOM 0 HA THR A 53 -2.781 4.112 -1.198 1.00 0.00 H new ATOM 0 HB THR A 53 -3.178 4.688 -4.167 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.056 6.536 -4.005 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.689 6.444 -3.275 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.131 4.839 -2.647 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.242 5.984 -1.616 1.00 0.00 H new ATOM 821 N VAL A 54 -4.652 2.589 -2.293 1.00 0.00 N ATOM 822 CA VAL A 54 -5.478 1.373 -2.590 1.00 0.00 C ATOM 823 C VAL A 54 -6.965 1.683 -2.356 1.00 0.00 C ATOM 824 O VAL A 54 -7.478 1.527 -1.264 1.00 0.00 O ATOM 825 CB VAL A 54 -4.969 0.285 -1.619 1.00 0.00 C ATOM 826 CG1 VAL A 54 -4.985 0.811 -0.182 1.00 0.00 C ATOM 827 CG2 VAL A 54 -5.852 -0.967 -1.705 1.00 0.00 C ATOM 0 H VAL A 54 -5.159 3.356 -1.851 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.386 1.047 -3.626 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.949 0.026 -1.902 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.624 0.035 0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.339 1.686 -0.108 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.003 1.087 0.093 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.479 -1.723 -1.014 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.877 -0.708 -1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.828 -1.360 -2.721 1.00 0.00 H new ATOM 837 N THR A 55 -7.653 2.120 -3.380 1.00 0.00 N ATOM 838 CA THR A 55 -9.105 2.444 -3.234 1.00 0.00 C ATOM 839 C THR A 55 -9.958 1.208 -3.530 1.00 0.00 C ATOM 840 O THR A 55 -9.654 0.434 -4.418 1.00 0.00 O ATOM 841 CB THR A 55 -9.375 3.541 -4.268 1.00 0.00 C ATOM 842 OG1 THR A 55 -8.281 4.447 -4.297 1.00 0.00 O ATOM 843 CG2 THR A 55 -10.651 4.293 -3.890 1.00 0.00 C ATOM 0 H THR A 55 -7.271 2.267 -4.314 1.00 0.00 H new ATOM 0 HA THR A 55 -9.354 2.766 -2.223 1.00 0.00 H new ATOM 0 HB THR A 55 -9.497 3.090 -5.253 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.454 5.148 -4.960 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.844 5.074 -4.625 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.490 3.598 -3.870 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.529 4.744 -2.905 1.00 0.00 H new ATOM 851 N GLU A 56 -11.024 1.022 -2.793 1.00 0.00 N ATOM 852 CA GLU A 56 -11.906 -0.162 -3.026 1.00 0.00 C ATOM 853 C GLU A 56 -12.795 0.076 -4.250 1.00 0.00 C ATOM 854 O GLU A 56 -12.419 -0.362 -5.325 1.00 0.00 O ATOM 855 CB GLU A 56 -12.757 -0.283 -1.760 1.00 0.00 C ATOM 856 CG GLU A 56 -13.638 -1.530 -1.850 1.00 0.00 C ATOM 857 CD GLU A 56 -14.919 -1.309 -1.043 1.00 0.00 C ATOM 858 OE1 GLU A 56 -14.823 -0.766 0.045 1.00 0.00 O ATOM 859 OE2 GLU A 56 -15.973 -1.686 -1.527 1.00 0.00 O ATOM 860 OXT GLU A 56 -13.835 0.693 -4.091 1.00 0.00 O ATOM 0 H GLU A 56 -11.322 1.640 -2.039 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.335 -1.070 -3.218 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.114 -0.343 -0.882 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.378 0.605 -1.641 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.883 -1.741 -2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.100 -2.397 -1.467 1.00 0.00 H new