USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 426 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 9 ASN : amide:sc= 0.633 X(o=1.2,f=1.4) USER MOD Set 1.2: A 56 THR OG1 : rot -146:sc= 0.566 USER MOD Set 2.1: A 50 THR OG1 : rot 180:sc= 0.00546 USER MOD Set 2.2: A 52 THR OG1 : rot 97:sc= 0.0273 USER MOD Set 3.1: A 45 THR OG1 : rot -9:sc= -0.186 USER MOD Set 3.2: A 54 THR OG1 : rot 146:sc= 0.489 USER MOD Single : A 2 THR OG1 : rot 36:sc= 0.379 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.00586 USER MOD Single : A 5 LYS NZ :NH3+ -112:sc=-0.000424 (180deg=-0.162) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -116:sc= 0.803 USER MOD Single : A 14 LYS NZ :NH3+ -170:sc= 0.0446 (180deg=0.0198) USER MOD Single : A 18 THR OG1 : rot 19:sc= 1.55 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= -0.0583 X(o=-0.058,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.206 X(o=-0.21,f=-0.12) USER MOD Single : A 38 ASN : amide:sc= -0.0137 X(o=-0.014,f=-0.12) USER MOD Single : A 46 TYR OH : rot -111:sc= -1.19 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -2.134 -12.045 6.239 1.00 0.00 N ATOM 21 CA THR A 2 -2.360 -11.149 5.066 1.00 0.00 C ATOM 22 C THR A 2 -1.464 -9.913 5.163 1.00 0.00 C ATOM 23 O THR A 2 -1.893 -8.805 4.901 1.00 0.00 O ATOM 24 CB THR A 2 -3.834 -10.749 5.151 1.00 0.00 C ATOM 25 OG1 THR A 2 -4.635 -11.918 5.261 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.229 -9.973 3.894 1.00 0.00 C ATOM 0 HA THR A 2 -2.123 -11.639 4.122 1.00 0.00 H new ATOM 0 HB THR A 2 -3.989 -10.118 6.026 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.163 -12.589 5.797 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.280 -9.689 3.957 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.615 -9.076 3.812 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.074 -10.600 3.016 1.00 0.00 H new ATOM 34 N THR A 3 -0.221 -10.095 5.534 1.00 0.00 N ATOM 35 CA THR A 3 0.709 -8.930 5.647 1.00 0.00 C ATOM 36 C THR A 3 0.975 -8.335 4.264 1.00 0.00 C ATOM 37 O THR A 3 1.950 -8.666 3.615 1.00 0.00 O ATOM 38 CB THR A 3 2.001 -9.492 6.244 1.00 0.00 C ATOM 39 OG1 THR A 3 1.690 -10.281 7.384 1.00 0.00 O ATOM 40 CG2 THR A 3 2.924 -8.339 6.652 1.00 0.00 C ATOM 0 H THR A 3 0.190 -11.000 5.763 1.00 0.00 H new ATOM 0 HA THR A 3 0.293 -8.135 6.266 1.00 0.00 H new ATOM 0 HB THR A 3 2.506 -10.110 5.501 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.516 -10.643 7.767 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.843 -8.742 7.077 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.163 -7.737 5.776 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.423 -7.717 7.394 1.00 0.00 H new ATOM 48 N PHE A 4 0.116 -7.459 3.814 1.00 0.00 N ATOM 49 CA PHE A 4 0.313 -6.833 2.471 1.00 0.00 C ATOM 50 C PHE A 4 1.508 -5.878 2.514 1.00 0.00 C ATOM 51 O PHE A 4 1.724 -5.188 3.492 1.00 0.00 O ATOM 52 CB PHE A 4 -0.979 -6.064 2.192 1.00 0.00 C ATOM 53 CG PHE A 4 -1.963 -6.965 1.488 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.706 -7.386 0.178 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.129 -7.380 2.140 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.613 -8.222 -0.480 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.037 -8.216 1.481 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.780 -8.637 0.172 1.00 0.00 C ATOM 0 H PHE A 4 -0.715 -7.149 4.318 1.00 0.00 H new ATOM 0 HA PHE A 4 0.517 -7.571 1.695 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.407 -5.701 3.126 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.768 -5.189 1.577 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.806 -7.065 -0.325 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.328 -7.056 3.151 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.413 -8.547 -1.490 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.938 -8.537 1.984 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.482 -9.282 -0.335 1.00 0.00 H new ATOM 68 N LYS A 5 2.285 -5.836 1.461 1.00 0.00 N ATOM 69 CA LYS A 5 3.470 -4.926 1.436 1.00 0.00 C ATOM 70 C LYS A 5 3.218 -3.756 0.481 1.00 0.00 C ATOM 71 O LYS A 5 2.189 -3.685 -0.167 1.00 0.00 O ATOM 72 CB LYS A 5 4.625 -5.792 0.929 1.00 0.00 C ATOM 73 CG LYS A 5 4.903 -6.923 1.927 1.00 0.00 C ATOM 74 CD LYS A 5 4.339 -8.240 1.387 1.00 0.00 C ATOM 75 CE LYS A 5 5.051 -9.415 2.061 1.00 0.00 C ATOM 76 NZ LYS A 5 6.330 -9.567 1.314 1.00 0.00 N ATOM 0 H LYS A 5 2.150 -6.393 0.617 1.00 0.00 H new ATOM 0 HA LYS A 5 3.682 -4.497 2.415 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.378 -6.209 -0.047 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.519 -5.182 0.798 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.976 -7.017 2.094 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.449 -6.690 2.890 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.267 -8.294 1.576 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.475 -8.290 0.307 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.232 -9.214 3.117 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.452 -10.324 2.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.316 -10.460 0.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.443 -8.771 0.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.125 -9.577 1.985 1.00 0.00 H new ATOM 90 N LEU A 6 4.148 -2.837 0.392 1.00 0.00 N ATOM 91 CA LEU A 6 3.966 -1.668 -0.518 1.00 0.00 C ATOM 92 C LEU A 6 5.328 -1.139 -0.980 1.00 0.00 C ATOM 93 O LEU A 6 6.059 -0.538 -0.216 1.00 0.00 O ATOM 94 CB LEU A 6 3.232 -0.618 0.328 1.00 0.00 C ATOM 95 CG LEU A 6 3.061 0.686 -0.465 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.977 0.507 -1.527 1.00 0.00 C ATOM 97 CD2 LEU A 6 2.658 1.814 0.488 1.00 0.00 C ATOM 0 H LEU A 6 5.026 -2.848 0.912 1.00 0.00 H new ATOM 0 HA LEU A 6 3.408 -1.926 -1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.256 -1.000 0.626 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.791 -0.424 1.243 1.00 0.00 H new ATOM 0 HG LEU A 6 4.004 0.937 -0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.859 1.435 -2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.264 -0.294 -2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.033 0.252 -1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.537 2.740 -0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.717 1.560 0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.433 1.947 1.243 1.00 0.00 H new ATOM 109 N ILE A 7 5.652 -1.329 -2.232 1.00 0.00 N ATOM 110 CA ILE A 7 6.944 -0.809 -2.757 1.00 0.00 C ATOM 111 C ILE A 7 6.759 0.670 -3.079 1.00 0.00 C ATOM 112 O ILE A 7 6.066 1.020 -4.020 1.00 0.00 O ATOM 113 CB ILE A 7 7.219 -1.618 -4.031 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.379 -3.107 -3.680 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.496 -1.106 -4.709 1.00 0.00 C ATOM 116 CD1 ILE A 7 8.541 -3.308 -2.697 1.00 0.00 C ATOM 0 H ILE A 7 5.075 -1.823 -2.913 1.00 0.00 H new ATOM 0 HA ILE A 7 7.771 -0.904 -2.054 1.00 0.00 H new ATOM 0 HB ILE A 7 6.379 -1.499 -4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.455 -3.484 -3.242 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.559 -3.683 -4.588 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.685 -1.685 -5.613 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.373 -0.055 -4.970 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.339 -1.214 -4.026 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.638 -4.368 -2.461 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.466 -2.950 -3.149 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.345 -2.749 -1.782 1.00 0.00 H new ATOM 128 N ILE A 8 7.343 1.543 -2.298 1.00 0.00 N ATOM 129 CA ILE A 8 7.159 2.997 -2.567 1.00 0.00 C ATOM 130 C ILE A 8 8.175 3.468 -3.612 1.00 0.00 C ATOM 131 O ILE A 8 9.371 3.401 -3.397 1.00 0.00 O ATOM 132 CB ILE A 8 7.391 3.759 -1.250 1.00 0.00 C ATOM 133 CG1 ILE A 8 6.711 3.051 -0.026 1.00 0.00 C ATOM 134 CG2 ILE A 8 6.858 5.188 -1.441 1.00 0.00 C ATOM 135 CD1 ILE A 8 5.306 3.604 0.279 1.00 0.00 C ATOM 0 H ILE A 8 7.931 1.314 -1.497 1.00 0.00 H new ATOM 0 HA ILE A 8 6.154 3.183 -2.946 1.00 0.00 H new ATOM 0 HB ILE A 8 8.457 3.778 -1.021 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.640 1.981 -0.224 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.343 3.171 0.854 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.007 5.758 -0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.394 5.670 -2.259 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.794 5.151 -1.676 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.885 3.076 1.135 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.375 4.668 0.507 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.662 3.460 -0.588 1.00 0.00 H new ATOM 147 N ASN A 9 7.710 3.951 -4.735 1.00 0.00 N ATOM 148 CA ASN A 9 8.647 4.438 -5.792 1.00 0.00 C ATOM 149 C ASN A 9 8.545 5.963 -5.920 1.00 0.00 C ATOM 150 O ASN A 9 7.472 6.529 -5.839 1.00 0.00 O ATOM 151 CB ASN A 9 8.187 3.751 -7.080 1.00 0.00 C ATOM 152 CG ASN A 9 9.114 4.146 -8.232 1.00 0.00 C ATOM 153 OD1 ASN A 9 10.276 3.796 -8.240 1.00 0.00 O ATOM 154 ND2 ASN A 9 8.644 4.868 -9.213 1.00 0.00 N ATOM 0 H ASN A 9 6.720 4.029 -4.966 1.00 0.00 H new ATOM 0 HA ASN A 9 9.688 4.208 -5.564 1.00 0.00 H new ATOM 0 HB2 ASN A 9 8.194 2.669 -6.949 1.00 0.00 H new ATOM 0 HB3 ASN A 9 7.161 4.038 -7.311 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.253 5.137 -9.985 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.667 5.163 -9.207 1.00 0.00 H new ATOM 161 N GLY A 10 9.657 6.629 -6.114 1.00 0.00 N ATOM 162 CA GLY A 10 9.632 8.118 -6.243 1.00 0.00 C ATOM 163 C GLY A 10 10.892 8.708 -5.605 1.00 0.00 C ATOM 164 O GLY A 10 11.938 8.087 -5.591 1.00 0.00 O ATOM 0 H GLY A 10 10.581 6.205 -6.189 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.577 8.402 -7.294 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.743 8.521 -5.757 1.00 0.00 H new ATOM 168 N LYS A 11 10.799 9.905 -5.078 1.00 0.00 N ATOM 169 CA LYS A 11 11.993 10.542 -4.439 1.00 0.00 C ATOM 170 C LYS A 11 11.714 10.889 -2.966 1.00 0.00 C ATOM 171 O LYS A 11 12.454 11.636 -2.353 1.00 0.00 O ATOM 172 CB LYS A 11 12.255 11.812 -5.256 1.00 0.00 C ATOM 173 CG LYS A 11 11.031 12.733 -5.202 1.00 0.00 C ATOM 174 CD LYS A 11 11.386 14.087 -5.821 1.00 0.00 C ATOM 175 CE LYS A 11 10.559 15.187 -5.150 1.00 0.00 C ATOM 176 NZ LYS A 11 10.780 16.398 -5.989 1.00 0.00 N ATOM 0 H LYS A 11 9.949 10.468 -5.063 1.00 0.00 H new ATOM 0 HA LYS A 11 12.853 9.873 -4.436 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.129 12.332 -4.864 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.477 11.549 -6.290 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.198 12.281 -5.741 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.708 12.866 -4.170 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.450 14.289 -5.695 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.189 14.072 -6.893 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.503 14.920 -5.112 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.883 15.354 -4.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.245 17.197 -5.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.793 16.632 -6.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.456 16.212 -6.960 1.00 0.00 H new ATOM 190 N THR A 12 10.664 10.351 -2.394 1.00 0.00 N ATOM 191 CA THR A 12 10.349 10.647 -0.962 1.00 0.00 C ATOM 192 C THR A 12 10.510 9.376 -0.126 1.00 0.00 C ATOM 193 O THR A 12 11.267 9.338 0.825 1.00 0.00 O ATOM 194 CB THR A 12 8.892 11.112 -0.959 1.00 0.00 C ATOM 195 OG1 THR A 12 8.132 10.293 -1.836 1.00 0.00 O ATOM 196 CG2 THR A 12 8.819 12.568 -1.425 1.00 0.00 C ATOM 0 H THR A 12 10.011 9.719 -2.858 1.00 0.00 H new ATOM 0 HA THR A 12 11.011 11.401 -0.537 1.00 0.00 H new ATOM 0 HB THR A 12 8.488 11.035 0.050 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.789 10.836 -2.576 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.781 12.899 -1.423 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.401 13.196 -0.750 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.223 12.648 -2.434 1.00 0.00 H new ATOM 204 N LEU A 13 9.806 8.337 -0.487 1.00 0.00 N ATOM 205 CA LEU A 13 9.911 7.055 0.267 1.00 0.00 C ATOM 206 C LEU A 13 10.511 5.977 -0.639 1.00 0.00 C ATOM 207 O LEU A 13 10.613 6.156 -1.839 1.00 0.00 O ATOM 208 CB LEU A 13 8.473 6.699 0.646 1.00 0.00 C ATOM 209 CG LEU A 13 8.210 7.077 2.102 1.00 0.00 C ATOM 210 CD1 LEU A 13 6.728 6.852 2.422 1.00 0.00 C ATOM 211 CD2 LEU A 13 9.070 6.205 3.024 1.00 0.00 C ATOM 0 H LEU A 13 9.160 8.321 -1.276 1.00 0.00 H new ATOM 0 HA LEU A 13 10.551 7.135 1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.775 7.224 -0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.303 5.632 0.502 1.00 0.00 H new ATOM 0 HG LEU A 13 8.464 8.125 2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.535 7.121 3.461 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.116 7.472 1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.477 5.803 2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.881 6.477 4.062 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.818 5.156 2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.124 6.362 2.794 1.00 0.00 H new ATOM 223 N LYS A 14 10.907 4.861 -0.080 1.00 0.00 N ATOM 224 CA LYS A 14 11.499 3.772 -0.907 1.00 0.00 C ATOM 225 C LYS A 14 11.687 2.501 -0.074 1.00 0.00 C ATOM 226 O LYS A 14 12.701 2.315 0.573 1.00 0.00 O ATOM 227 CB LYS A 14 12.854 4.307 -1.398 1.00 0.00 C ATOM 228 CG LYS A 14 13.725 4.726 -0.203 1.00 0.00 C ATOM 229 CD LYS A 14 14.358 6.094 -0.479 1.00 0.00 C ATOM 230 CE LYS A 14 13.290 7.185 -0.362 1.00 0.00 C ATOM 231 NZ LYS A 14 14.054 8.455 -0.210 1.00 0.00 N ATOM 0 H LYS A 14 10.844 4.659 0.918 1.00 0.00 H new ATOM 0 HA LYS A 14 10.850 3.506 -1.741 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.366 3.541 -1.980 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.698 5.159 -2.060 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.120 4.771 0.702 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.503 3.983 -0.030 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.165 6.283 0.229 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.799 6.108 -1.476 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.653 7.211 -1.246 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.639 7.011 0.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.402 9.224 0.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.767 8.344 0.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.527 8.685 -1.107 1.00 0.00 H new ATOM 245 N GLY A 15 10.715 1.624 -0.092 1.00 0.00 N ATOM 246 CA GLY A 15 10.830 0.359 0.691 1.00 0.00 C ATOM 247 C GLY A 15 9.437 -0.181 1.019 1.00 0.00 C ATOM 248 O GLY A 15 8.433 0.449 0.740 1.00 0.00 O ATOM 0 H GLY A 15 9.846 1.731 -0.616 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.391 -0.381 0.121 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.385 0.540 1.611 1.00 0.00 H new ATOM 252 N GLU A 16 9.377 -1.353 1.600 1.00 0.00 N ATOM 253 CA GLU A 16 8.069 -1.965 1.953 1.00 0.00 C ATOM 254 C GLU A 16 7.769 -1.775 3.449 1.00 0.00 C ATOM 255 O GLU A 16 8.667 -1.595 4.250 1.00 0.00 O ATOM 256 CB GLU A 16 8.251 -3.446 1.594 1.00 0.00 C ATOM 257 CG GLU A 16 9.254 -4.117 2.550 1.00 0.00 C ATOM 258 CD GLU A 16 10.167 -5.059 1.764 1.00 0.00 C ATOM 259 OE1 GLU A 16 10.719 -4.624 0.767 1.00 0.00 O ATOM 260 OE2 GLU A 16 10.300 -6.201 2.172 1.00 0.00 O ATOM 0 H GLU A 16 10.192 -1.915 1.846 1.00 0.00 H new ATOM 0 HA GLU A 16 7.227 -1.515 1.427 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.291 -3.959 1.647 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.604 -3.536 0.567 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.849 -3.359 3.058 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.720 -4.672 3.321 1.00 0.00 H new ATOM 267 N ILE A 17 6.516 -1.823 3.823 1.00 0.00 N ATOM 268 CA ILE A 17 6.152 -1.654 5.265 1.00 0.00 C ATOM 269 C ILE A 17 5.494 -2.934 5.809 1.00 0.00 C ATOM 270 O ILE A 17 5.398 -3.116 7.004 1.00 0.00 O ATOM 271 CB ILE A 17 5.166 -0.481 5.299 1.00 0.00 C ATOM 272 CG1 ILE A 17 5.834 0.776 4.726 1.00 0.00 C ATOM 273 CG2 ILE A 17 4.737 -0.210 6.744 1.00 0.00 C ATOM 274 CD1 ILE A 17 4.806 1.581 3.927 1.00 0.00 C ATOM 0 H ILE A 17 5.728 -1.972 3.193 1.00 0.00 H new ATOM 0 HA ILE A 17 7.027 -1.464 5.886 1.00 0.00 H new ATOM 0 HB ILE A 17 4.292 -0.734 4.699 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.241 1.385 5.533 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.670 0.496 4.085 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.036 0.624 6.765 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.256 -1.098 7.153 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.613 0.037 7.343 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.280 2.474 3.520 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.421 0.970 3.110 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.984 1.873 4.581 1.00 0.00 H new ATOM 286 N THR A 18 5.041 -3.814 4.938 1.00 0.00 N ATOM 287 CA THR A 18 4.385 -5.096 5.378 1.00 0.00 C ATOM 288 C THR A 18 3.351 -4.857 6.489 1.00 0.00 C ATOM 289 O THR A 18 3.687 -4.762 7.655 1.00 0.00 O ATOM 290 CB THR A 18 5.521 -6.005 5.880 1.00 0.00 C ATOM 291 OG1 THR A 18 6.105 -5.448 7.048 1.00 0.00 O ATOM 292 CG2 THR A 18 6.591 -6.155 4.794 1.00 0.00 C ATOM 0 H THR A 18 5.099 -3.696 3.927 1.00 0.00 H new ATOM 0 HA THR A 18 3.838 -5.550 4.552 1.00 0.00 H new ATOM 0 HB THR A 18 5.109 -6.986 6.115 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.490 -4.795 7.442 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.391 -6.800 5.158 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.145 -6.597 3.903 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.999 -5.175 4.547 1.00 0.00 H new ATOM 300 N ILE A 19 2.093 -4.779 6.131 1.00 0.00 N ATOM 301 CA ILE A 19 1.028 -4.559 7.160 1.00 0.00 C ATOM 302 C ILE A 19 -0.125 -5.549 6.955 1.00 0.00 C ATOM 303 O ILE A 19 -0.602 -5.738 5.852 1.00 0.00 O ATOM 304 CB ILE A 19 0.550 -3.110 6.968 1.00 0.00 C ATOM 305 CG1 ILE A 19 -0.054 -2.926 5.566 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.735 -2.154 7.141 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.583 -2.942 5.657 1.00 0.00 C ATOM 0 H ILE A 19 1.757 -4.858 5.171 1.00 0.00 H new ATOM 0 HA ILE A 19 1.403 -4.719 8.171 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.214 -2.890 7.713 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.284 -1.984 5.134 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.289 -3.721 4.904 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.397 -1.127 7.005 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.152 -2.269 8.141 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.500 -2.385 6.400 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.008 -2.811 4.662 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.913 -3.895 6.070 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.918 -2.131 6.304 1.00 0.00 H new ATOM 319 N GLU A 20 -0.570 -6.179 8.013 1.00 0.00 N ATOM 320 CA GLU A 20 -1.691 -7.159 7.892 1.00 0.00 C ATOM 321 C GLU A 20 -3.020 -6.421 7.709 1.00 0.00 C ATOM 322 O GLU A 20 -3.192 -5.313 8.182 1.00 0.00 O ATOM 323 CB GLU A 20 -1.686 -7.939 9.207 1.00 0.00 C ATOM 324 CG GLU A 20 -2.068 -9.396 8.939 1.00 0.00 C ATOM 325 CD GLU A 20 -1.997 -10.191 10.243 1.00 0.00 C ATOM 326 OE1 GLU A 20 -0.895 -10.428 10.711 1.00 0.00 O ATOM 327 OE2 GLU A 20 -3.046 -10.550 10.752 1.00 0.00 O ATOM 0 H GLU A 20 -0.204 -6.056 8.957 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.571 -7.817 7.031 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.699 -7.890 9.667 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.388 -7.491 9.910 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.074 -9.448 8.523 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.395 -9.829 8.200 1.00 0.00 H new ATOM 334 N ALA A 21 -3.955 -7.029 7.026 1.00 0.00 N ATOM 335 CA ALA A 21 -5.276 -6.369 6.804 1.00 0.00 C ATOM 336 C ALA A 21 -6.326 -7.403 6.387 1.00 0.00 C ATOM 337 O ALA A 21 -5.999 -8.500 5.979 1.00 0.00 O ATOM 338 CB ALA A 21 -5.029 -5.371 5.671 1.00 0.00 C ATOM 0 H ALA A 21 -3.860 -7.956 6.612 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.652 -5.884 7.705 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.954 -4.841 5.445 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.266 -4.655 5.977 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.690 -5.905 4.783 1.00 0.00 H new ATOM 344 N VAL A 22 -7.586 -7.055 6.486 1.00 0.00 N ATOM 345 CA VAL A 22 -8.673 -8.006 6.097 1.00 0.00 C ATOM 346 C VAL A 22 -8.472 -8.483 4.650 1.00 0.00 C ATOM 347 O VAL A 22 -8.770 -9.611 4.309 1.00 0.00 O ATOM 348 CB VAL A 22 -9.977 -7.205 6.236 1.00 0.00 C ATOM 349 CG1 VAL A 22 -9.943 -5.982 5.311 1.00 0.00 C ATOM 350 CG2 VAL A 22 -11.169 -8.092 5.861 1.00 0.00 C ATOM 0 H VAL A 22 -7.909 -6.148 6.822 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.682 -8.900 6.721 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.079 -6.872 7.269 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.871 -5.420 5.416 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.101 -5.345 5.581 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.833 -6.310 4.278 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.092 -7.522 5.960 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.061 -8.430 4.831 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.203 -8.956 6.525 1.00 0.00 H new ATOM 360 N ASP A 23 -7.964 -7.623 3.809 1.00 0.00 N ATOM 361 CA ASP A 23 -7.727 -7.996 2.384 1.00 0.00 C ATOM 362 C ASP A 23 -6.843 -6.938 1.723 1.00 0.00 C ATOM 363 O ASP A 23 -6.502 -5.943 2.337 1.00 0.00 O ATOM 364 CB ASP A 23 -9.120 -8.029 1.737 1.00 0.00 C ATOM 365 CG ASP A 23 -9.816 -6.665 1.877 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.212 -5.752 2.423 1.00 0.00 O ATOM 367 OD2 ASP A 23 -10.947 -6.557 1.432 1.00 0.00 O ATOM 0 H ASP A 23 -7.700 -6.668 4.051 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.219 -8.955 2.278 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.031 -8.291 0.683 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.727 -8.803 2.207 1.00 0.00 H new ATOM 372 N ALA A 24 -6.466 -7.137 0.485 1.00 0.00 N ATOM 373 CA ALA A 24 -5.601 -6.126 -0.198 1.00 0.00 C ATOM 374 C ALA A 24 -6.347 -4.795 -0.305 1.00 0.00 C ATOM 375 O ALA A 24 -5.750 -3.735 -0.300 1.00 0.00 O ATOM 376 CB ALA A 24 -5.312 -6.694 -1.587 1.00 0.00 C ATOM 0 H ALA A 24 -6.717 -7.949 -0.079 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.678 -5.939 0.351 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.681 -5.999 -2.140 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.799 -7.651 -1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.250 -6.838 -2.124 1.00 0.00 H new ATOM 382 N ALA A 25 -7.656 -4.845 -0.396 1.00 0.00 N ATOM 383 CA ALA A 25 -8.458 -3.589 -0.496 1.00 0.00 C ATOM 384 C ALA A 25 -8.182 -2.699 0.718 1.00 0.00 C ATOM 385 O ALA A 25 -7.973 -1.507 0.592 1.00 0.00 O ATOM 386 CB ALA A 25 -9.921 -4.040 -0.510 1.00 0.00 C ATOM 0 H ALA A 25 -8.202 -5.706 -0.405 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.209 -3.010 -1.385 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.570 -3.167 -0.582 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.093 -4.692 -1.367 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.143 -4.583 0.409 1.00 0.00 H new ATOM 392 N GLU A 26 -8.167 -3.280 1.891 1.00 0.00 N ATOM 393 CA GLU A 26 -7.887 -2.484 3.122 1.00 0.00 C ATOM 394 C GLU A 26 -6.415 -2.077 3.135 1.00 0.00 C ATOM 395 O GLU A 26 -6.076 -0.949 3.441 1.00 0.00 O ATOM 396 CB GLU A 26 -8.202 -3.422 4.290 1.00 0.00 C ATOM 397 CG GLU A 26 -8.035 -2.673 5.612 1.00 0.00 C ATOM 398 CD GLU A 26 -8.880 -3.352 6.692 1.00 0.00 C ATOM 399 OE1 GLU A 26 -10.044 -3.007 6.808 1.00 0.00 O ATOM 400 OE2 GLU A 26 -8.348 -4.205 7.383 1.00 0.00 O ATOM 0 H GLU A 26 -8.337 -4.273 2.048 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.479 -1.571 3.177 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.221 -3.800 4.201 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.538 -4.286 4.264 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.986 -2.664 5.908 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.342 -1.634 5.495 1.00 0.00 H new ATOM 407 N ALA A 27 -5.539 -2.986 2.783 1.00 0.00 N ATOM 408 CA ALA A 27 -4.080 -2.657 2.747 1.00 0.00 C ATOM 409 C ALA A 27 -3.844 -1.482 1.800 1.00 0.00 C ATOM 410 O ALA A 27 -3.151 -0.537 2.128 1.00 0.00 O ATOM 411 CB ALA A 27 -3.388 -3.917 2.217 1.00 0.00 C ATOM 0 H ALA A 27 -5.772 -3.943 2.519 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.696 -2.373 3.727 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.313 -3.747 2.164 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.591 -4.753 2.887 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.768 -4.149 1.222 1.00 0.00 H new ATOM 417 N GLU A 28 -4.437 -1.527 0.629 1.00 0.00 N ATOM 418 CA GLU A 28 -4.267 -0.404 -0.342 1.00 0.00 C ATOM 419 C GLU A 28 -4.764 0.898 0.291 1.00 0.00 C ATOM 420 O GLU A 28 -4.211 1.952 0.058 1.00 0.00 O ATOM 421 CB GLU A 28 -5.112 -0.775 -1.563 1.00 0.00 C ATOM 422 CG GLU A 28 -4.620 0.014 -2.782 1.00 0.00 C ATOM 423 CD GLU A 28 -5.782 0.226 -3.756 1.00 0.00 C ATOM 424 OE1 GLU A 28 -6.767 0.821 -3.350 1.00 0.00 O ATOM 425 OE2 GLU A 28 -5.666 -0.209 -4.889 1.00 0.00 O ATOM 0 H GLU A 28 -5.029 -2.292 0.307 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.224 -0.253 -0.622 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.041 -1.845 -1.756 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.162 -0.554 -1.373 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.216 0.976 -2.467 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.812 -0.525 -3.276 1.00 0.00 H new ATOM 432 N LYS A 29 -5.787 0.826 1.111 1.00 0.00 N ATOM 433 CA LYS A 29 -6.294 2.062 1.783 1.00 0.00 C ATOM 434 C LYS A 29 -5.276 2.505 2.836 1.00 0.00 C ATOM 435 O LYS A 29 -4.820 3.635 2.843 1.00 0.00 O ATOM 436 CB LYS A 29 -7.615 1.660 2.441 1.00 0.00 C ATOM 437 CG LYS A 29 -8.708 1.544 1.373 1.00 0.00 C ATOM 438 CD LYS A 29 -10.033 2.067 1.937 1.00 0.00 C ATOM 439 CE LYS A 29 -10.057 3.600 1.871 1.00 0.00 C ATOM 440 NZ LYS A 29 -11.131 3.932 0.892 1.00 0.00 N ATOM 0 H LYS A 29 -6.289 -0.031 1.342 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.440 2.891 1.090 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.499 0.709 2.962 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.900 2.400 3.189 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.428 2.114 0.487 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.818 0.505 1.062 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.868 1.656 1.369 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.156 1.736 2.968 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.268 4.033 2.849 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.094 3.995 1.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.205 4.965 0.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.900 3.513 -0.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.038 3.550 1.229 1.00 0.00 H new ATOM 454 N ILE A 30 -4.892 1.601 3.708 1.00 0.00 N ATOM 455 CA ILE A 30 -3.873 1.937 4.752 1.00 0.00 C ATOM 456 C ILE A 30 -2.597 2.410 4.054 1.00 0.00 C ATOM 457 O ILE A 30 -1.911 3.302 4.515 1.00 0.00 O ATOM 458 CB ILE A 30 -3.621 0.623 5.510 1.00 0.00 C ATOM 459 CG1 ILE A 30 -4.905 0.179 6.212 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.523 0.823 6.561 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.752 -1.271 6.675 1.00 0.00 C ATOM 0 H ILE A 30 -5.242 0.643 3.741 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.199 2.726 5.430 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.306 -0.138 4.796 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.109 0.826 7.065 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.754 0.269 5.534 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.353 -0.114 7.092 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.601 1.134 6.070 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.833 1.591 7.270 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.665 -1.591 7.176 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.568 -1.911 5.812 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.913 -1.345 7.367 1.00 0.00 H new ATOM 473 N PHE A 31 -2.302 1.818 2.928 1.00 0.00 N ATOM 474 CA PHE A 31 -1.093 2.220 2.158 1.00 0.00 C ATOM 475 C PHE A 31 -1.361 3.547 1.452 1.00 0.00 C ATOM 476 O PHE A 31 -0.499 4.402 1.369 1.00 0.00 O ATOM 477 CB PHE A 31 -0.878 1.098 1.135 1.00 0.00 C ATOM 478 CG PHE A 31 -0.100 -0.035 1.761 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.077 0.224 2.473 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.558 -1.348 1.622 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.793 -0.831 3.045 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.159 -2.404 2.196 1.00 0.00 C ATOM 483 CZ PHE A 31 1.335 -2.145 2.908 1.00 0.00 C ATOM 0 H PHE A 31 -2.851 1.069 2.507 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.216 2.357 2.791 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.841 0.733 0.776 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.340 1.484 0.269 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.432 1.239 2.580 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.465 -1.548 1.072 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.701 -0.631 3.594 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.195 -3.419 2.089 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.889 -2.959 3.352 1.00 0.00 H new ATOM 493 N LYS A 32 -2.555 3.722 0.940 1.00 0.00 N ATOM 494 CA LYS A 32 -2.895 4.987 0.232 1.00 0.00 C ATOM 495 C LYS A 32 -3.229 6.114 1.222 1.00 0.00 C ATOM 496 O LYS A 32 -3.579 7.207 0.817 1.00 0.00 O ATOM 497 CB LYS A 32 -4.105 4.657 -0.637 1.00 0.00 C ATOM 498 CG LYS A 32 -3.644 3.863 -1.861 1.00 0.00 C ATOM 499 CD LYS A 32 -4.864 3.396 -2.657 1.00 0.00 C ATOM 500 CE LYS A 32 -5.523 4.600 -3.334 1.00 0.00 C ATOM 501 NZ LYS A 32 -6.201 4.042 -4.536 1.00 0.00 N ATOM 0 H LYS A 32 -3.310 3.037 0.984 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.053 5.345 -0.360 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.831 4.079 -0.066 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.604 5.574 -0.950 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.003 4.482 -2.488 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.051 3.004 -1.548 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.564 2.663 -3.406 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.576 2.902 -1.996 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.236 5.086 -2.668 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.783 5.351 -3.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.677 4.809 -5.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.496 3.592 -5.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.904 3.335 -4.241 1.00 0.00 H new ATOM 515 N GLN A 33 -3.079 5.882 2.506 1.00 0.00 N ATOM 516 CA GLN A 33 -3.340 6.971 3.501 1.00 0.00 C ATOM 517 C GLN A 33 -1.981 7.345 4.062 1.00 0.00 C ATOM 518 O GLN A 33 -1.595 8.494 4.145 1.00 0.00 O ATOM 519 CB GLN A 33 -4.228 6.349 4.575 1.00 0.00 C ATOM 520 CG GLN A 33 -5.699 6.491 4.171 1.00 0.00 C ATOM 521 CD GLN A 33 -6.289 7.741 4.826 1.00 0.00 C ATOM 522 OE1 GLN A 33 -6.677 8.672 4.146 1.00 0.00 O ATOM 523 NE2 GLN A 33 -6.375 7.805 6.126 1.00 0.00 N ATOM 0 H GLN A 33 -2.788 4.990 2.906 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.827 7.857 3.093 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.976 5.297 4.705 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.055 6.839 5.533 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.784 6.561 3.087 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -6.259 5.608 4.478 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.050 7.025 6.698 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.767 8.635 6.571 1.00 0.00 H new ATOM 532 N TYR A 34 -1.238 6.327 4.379 1.00 0.00 N ATOM 533 CA TYR A 34 0.154 6.476 4.877 1.00 0.00 C ATOM 534 C TYR A 34 0.964 7.327 3.873 1.00 0.00 C ATOM 535 O TYR A 34 1.710 8.212 4.245 1.00 0.00 O ATOM 536 CB TYR A 34 0.612 5.006 4.897 1.00 0.00 C ATOM 537 CG TYR A 34 2.124 4.879 4.866 1.00 0.00 C ATOM 538 CD1 TYR A 34 2.813 4.981 3.652 1.00 0.00 C ATOM 539 CD2 TYR A 34 2.830 4.662 6.056 1.00 0.00 C ATOM 540 CE1 TYR A 34 4.208 4.867 3.626 1.00 0.00 C ATOM 541 CE2 TYR A 34 4.225 4.546 6.030 1.00 0.00 C ATOM 542 CZ TYR A 34 4.914 4.649 4.816 1.00 0.00 C ATOM 543 OH TYR A 34 6.289 4.537 4.792 1.00 0.00 O ATOM 0 H TYR A 34 -1.552 5.359 4.310 1.00 0.00 H new ATOM 0 HA TYR A 34 0.268 6.975 5.839 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.226 4.519 5.792 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.187 4.483 4.041 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.268 5.148 2.735 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.299 4.584 6.993 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.739 4.947 2.689 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.770 4.377 6.947 1.00 0.00 H new ATOM 0 HH TYR A 34 6.621 4.389 5.702 1.00 0.00 H new ATOM 553 N ALA A 35 0.800 7.050 2.604 1.00 0.00 N ATOM 554 CA ALA A 35 1.532 7.818 1.547 1.00 0.00 C ATOM 555 C ALA A 35 1.168 9.303 1.625 1.00 0.00 C ATOM 556 O ALA A 35 2.029 10.163 1.624 1.00 0.00 O ATOM 557 CB ALA A 35 1.044 7.228 0.219 1.00 0.00 C ATOM 0 H ALA A 35 0.184 6.318 2.250 1.00 0.00 H new ATOM 0 HA ALA A 35 2.613 7.743 1.660 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.536 7.739 -0.609 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.284 6.165 0.183 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.035 7.359 0.137 1.00 0.00 H new ATOM 563 N ASN A 36 -0.104 9.607 1.684 1.00 0.00 N ATOM 564 CA ASN A 36 -0.543 11.038 1.755 1.00 0.00 C ATOM 565 C ASN A 36 0.090 11.740 2.960 1.00 0.00 C ATOM 566 O ASN A 36 0.628 12.825 2.843 1.00 0.00 O ATOM 567 CB ASN A 36 -2.062 10.985 1.911 1.00 0.00 C ATOM 568 CG ASN A 36 -2.712 10.808 0.538 1.00 0.00 C ATOM 569 OD1 ASN A 36 -3.199 11.758 -0.043 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.743 9.624 -0.010 1.00 0.00 N ATOM 0 H ASN A 36 -0.862 8.924 1.686 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.240 11.597 0.870 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.342 10.160 2.566 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.422 11.901 2.380 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.176 9.497 -0.925 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.335 8.826 0.477 1.00 0.00 H new ATOM 577 N ASP A 37 0.023 11.129 4.115 1.00 0.00 N ATOM 578 CA ASP A 37 0.616 11.758 5.338 1.00 0.00 C ATOM 579 C ASP A 37 2.106 12.044 5.139 1.00 0.00 C ATOM 580 O ASP A 37 2.683 12.874 5.817 1.00 0.00 O ATOM 581 CB ASP A 37 0.413 10.736 6.458 1.00 0.00 C ATOM 582 CG ASP A 37 -0.939 10.979 7.133 1.00 0.00 C ATOM 583 OD1 ASP A 37 -1.033 11.925 7.899 1.00 0.00 O ATOM 584 OD2 ASP A 37 -1.854 10.218 6.873 1.00 0.00 O ATOM 0 H ASP A 37 -0.417 10.221 4.266 1.00 0.00 H new ATOM 0 HA ASP A 37 0.144 12.714 5.565 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.453 9.725 6.053 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.217 10.818 7.190 1.00 0.00 H new ATOM 589 N ASN A 38 2.728 11.362 4.218 1.00 0.00 N ATOM 590 CA ASN A 38 4.176 11.578 3.964 1.00 0.00 C ATOM 591 C ASN A 38 4.382 12.416 2.698 1.00 0.00 C ATOM 592 O ASN A 38 5.368 13.115 2.561 1.00 0.00 O ATOM 593 CB ASN A 38 4.761 10.177 3.782 1.00 0.00 C ATOM 594 CG ASN A 38 5.307 9.673 5.119 1.00 0.00 C ATOM 595 OD1 ASN A 38 4.626 9.721 6.125 1.00 0.00 O ATOM 596 ND2 ASN A 38 6.517 9.186 5.173 1.00 0.00 N ATOM 0 H ASN A 38 2.289 10.658 3.626 1.00 0.00 H new ATOM 0 HA ASN A 38 4.657 12.119 4.779 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.994 9.497 3.411 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.556 10.198 3.037 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.891 8.846 6.059 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.089 9.146 4.329 1.00 0.00 H new ATOM 603 N GLY A 39 3.460 12.342 1.772 1.00 0.00 N ATOM 604 CA GLY A 39 3.595 13.124 0.506 1.00 0.00 C ATOM 605 C GLY A 39 3.863 12.167 -0.658 1.00 0.00 C ATOM 606 O GLY A 39 4.509 12.517 -1.626 1.00 0.00 O ATOM 0 H GLY A 39 2.617 11.772 1.839 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.685 13.695 0.320 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.410 13.843 0.595 1.00 0.00 H new ATOM 610 N ILE A 40 3.366 10.959 -0.564 1.00 0.00 N ATOM 611 CA ILE A 40 3.579 9.960 -1.651 1.00 0.00 C ATOM 612 C ILE A 40 2.355 9.956 -2.573 1.00 0.00 C ATOM 613 O ILE A 40 1.280 9.528 -2.194 1.00 0.00 O ATOM 614 CB ILE A 40 3.777 8.632 -0.888 1.00 0.00 C ATOM 615 CG1 ILE A 40 5.251 8.480 -0.538 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.340 7.407 -1.695 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.611 9.536 0.493 1.00 0.00 C ATOM 0 H ILE A 40 2.817 10.621 0.227 1.00 0.00 H new ATOM 0 HA ILE A 40 4.430 10.162 -2.301 1.00 0.00 H new ATOM 0 HB ILE A 40 3.152 8.677 0.004 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.446 7.483 -0.143 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.866 8.596 -1.430 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.504 6.505 -1.105 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.282 7.492 -1.941 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.923 7.350 -2.614 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.665 9.443 0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.427 10.527 0.078 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.000 9.397 1.385 1.00 0.00 H new ATOM 629 N ASP A 41 2.519 10.436 -3.774 1.00 0.00 N ATOM 630 CA ASP A 41 1.369 10.473 -4.731 1.00 0.00 C ATOM 631 C ASP A 41 1.849 10.375 -6.184 1.00 0.00 C ATOM 632 O ASP A 41 2.441 11.294 -6.716 1.00 0.00 O ATOM 633 CB ASP A 41 0.698 11.825 -4.485 1.00 0.00 C ATOM 634 CG ASP A 41 -0.603 11.902 -5.285 1.00 0.00 C ATOM 635 OD1 ASP A 41 -1.615 11.448 -4.777 1.00 0.00 O ATOM 636 OD2 ASP A 41 -0.566 12.413 -6.392 1.00 0.00 O ATOM 0 H ASP A 41 3.398 10.805 -4.138 1.00 0.00 H new ATOM 0 HA ASP A 41 0.691 9.634 -4.576 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.492 11.953 -3.422 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.367 12.634 -4.779 1.00 0.00 H new ATOM 641 N GLY A 42 1.579 9.267 -6.830 1.00 0.00 N ATOM 642 CA GLY A 42 1.996 9.096 -8.255 1.00 0.00 C ATOM 643 C GLY A 42 1.167 7.980 -8.902 1.00 0.00 C ATOM 644 O GLY A 42 0.055 8.204 -9.344 1.00 0.00 O ATOM 0 H GLY A 42 1.085 8.470 -6.428 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.856 10.030 -8.800 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.057 8.852 -8.307 1.00 0.00 H new ATOM 648 N GLU A 43 1.701 6.784 -8.970 1.00 0.00 N ATOM 649 CA GLU A 43 0.942 5.653 -9.603 1.00 0.00 C ATOM 650 C GLU A 43 0.791 4.467 -8.638 1.00 0.00 C ATOM 651 O GLU A 43 1.753 3.994 -8.073 1.00 0.00 O ATOM 652 CB GLU A 43 1.789 5.243 -10.807 1.00 0.00 C ATOM 653 CG GLU A 43 0.884 4.670 -11.899 1.00 0.00 C ATOM 654 CD GLU A 43 1.738 3.956 -12.947 1.00 0.00 C ATOM 655 OE1 GLU A 43 2.557 3.139 -12.560 1.00 0.00 O ATOM 656 OE2 GLU A 43 1.559 4.237 -14.121 1.00 0.00 O ATOM 0 H GLU A 43 2.626 6.540 -8.617 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.069 5.955 -9.878 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.337 6.104 -11.189 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.530 4.501 -10.508 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.167 3.974 -11.464 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.309 5.470 -12.366 1.00 0.00 H new ATOM 663 N TRP A 44 -0.416 3.977 -8.463 1.00 0.00 N ATOM 664 CA TRP A 44 -0.647 2.810 -7.547 1.00 0.00 C ATOM 665 C TRP A 44 -0.955 1.552 -8.355 1.00 0.00 C ATOM 666 O TRP A 44 -1.735 1.576 -9.289 1.00 0.00 O ATOM 667 CB TRP A 44 -1.871 3.191 -6.713 1.00 0.00 C ATOM 668 CG TRP A 44 -1.443 4.030 -5.565 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.315 5.376 -5.578 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.084 3.593 -4.232 1.00 0.00 C ATOM 671 NE1 TRP A 44 -0.893 5.792 -4.329 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.733 4.727 -3.466 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.026 2.329 -3.624 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.336 4.611 -2.136 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.625 2.208 -2.284 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.279 3.349 -1.544 1.00 0.00 C ATOM 0 H TRP A 44 -1.255 4.337 -8.917 1.00 0.00 H new ATOM 0 HA TRP A 44 0.229 2.601 -6.933 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.589 3.735 -7.327 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.374 2.293 -6.354 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.510 6.019 -6.423 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.721 6.765 -4.077 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.291 1.447 -4.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.074 5.491 -1.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.583 1.233 -1.821 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.032 3.250 -0.514 1.00 0.00 H new ATOM 687 N THR A 45 -0.359 0.450 -7.986 1.00 0.00 N ATOM 688 CA THR A 45 -0.621 -0.829 -8.713 1.00 0.00 C ATOM 689 C THR A 45 -0.572 -1.980 -7.722 1.00 0.00 C ATOM 690 O THR A 45 0.349 -2.085 -6.937 1.00 0.00 O ATOM 691 CB THR A 45 0.493 -0.993 -9.761 1.00 0.00 C ATOM 692 OG1 THR A 45 1.692 -1.407 -9.123 1.00 0.00 O ATOM 693 CG2 THR A 45 0.736 0.325 -10.493 1.00 0.00 C ATOM 0 H THR A 45 0.300 0.379 -7.211 1.00 0.00 H new ATOM 0 HA THR A 45 -1.599 -0.820 -9.193 1.00 0.00 H new ATOM 0 HB THR A 45 0.183 -1.747 -10.485 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.583 -1.348 -8.151 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.527 0.191 -11.231 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.180 0.636 -10.996 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.034 1.090 -9.776 1.00 0.00 H new ATOM 701 N TYR A 46 -1.549 -2.839 -7.757 1.00 0.00 N ATOM 702 CA TYR A 46 -1.563 -3.994 -6.815 1.00 0.00 C ATOM 703 C TYR A 46 -1.045 -5.251 -7.527 1.00 0.00 C ATOM 704 O TYR A 46 -1.346 -5.490 -8.682 1.00 0.00 O ATOM 705 CB TYR A 46 -3.031 -4.156 -6.392 1.00 0.00 C ATOM 706 CG TYR A 46 -3.196 -5.420 -5.575 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.455 -5.592 -4.400 1.00 0.00 C ATOM 708 CD2 TYR A 46 -4.072 -6.424 -6.003 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.594 -6.766 -3.650 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.210 -7.599 -5.254 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.472 -7.770 -4.077 1.00 0.00 C ATOM 712 OH TYR A 46 -3.608 -8.929 -3.341 1.00 0.00 O ATOM 0 H TYR A 46 -2.341 -2.793 -8.398 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.921 -3.836 -5.949 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.348 -3.292 -5.808 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.670 -4.197 -7.274 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.776 -4.819 -4.072 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.642 -6.293 -6.911 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.024 -6.897 -2.742 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.886 -8.374 -5.585 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.226 -9.680 -3.840 1.00 0.00 H new ATOM 722 N ASP A 47 -0.281 -6.056 -6.837 1.00 0.00 N ATOM 723 CA ASP A 47 0.249 -7.306 -7.453 1.00 0.00 C ATOM 724 C ASP A 47 -0.416 -8.521 -6.802 1.00 0.00 C ATOM 725 O ASP A 47 -0.053 -8.930 -5.715 1.00 0.00 O ATOM 726 CB ASP A 47 1.750 -7.292 -7.166 1.00 0.00 C ATOM 727 CG ASP A 47 2.399 -6.112 -7.891 1.00 0.00 C ATOM 728 OD1 ASP A 47 2.117 -5.936 -9.064 1.00 0.00 O ATOM 729 OD2 ASP A 47 3.166 -5.403 -7.259 1.00 0.00 O ATOM 0 H ASP A 47 -0.000 -5.900 -5.869 1.00 0.00 H new ATOM 0 HA ASP A 47 0.049 -7.362 -8.523 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.925 -7.213 -6.093 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.202 -8.228 -7.495 1.00 0.00 H new ATOM 734 N ASP A 48 -1.391 -9.096 -7.463 1.00 0.00 N ATOM 735 CA ASP A 48 -2.098 -10.289 -6.892 1.00 0.00 C ATOM 736 C ASP A 48 -1.201 -11.539 -6.903 1.00 0.00 C ATOM 737 O ASP A 48 -1.581 -12.581 -6.401 1.00 0.00 O ATOM 738 CB ASP A 48 -3.323 -10.499 -7.792 1.00 0.00 C ATOM 739 CG ASP A 48 -2.875 -10.738 -9.237 1.00 0.00 C ATOM 740 OD1 ASP A 48 -2.301 -11.783 -9.494 1.00 0.00 O ATOM 741 OD2 ASP A 48 -3.112 -9.870 -10.062 1.00 0.00 O ATOM 0 H ASP A 48 -1.730 -8.791 -8.376 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.372 -10.125 -5.850 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.904 -11.350 -7.437 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.974 -9.626 -7.744 1.00 0.00 H new ATOM 746 N ALA A 49 -0.018 -11.447 -7.461 1.00 0.00 N ATOM 747 CA ALA A 49 0.897 -12.623 -7.493 1.00 0.00 C ATOM 748 C ALA A 49 1.785 -12.618 -6.249 1.00 0.00 C ATOM 749 O ALA A 49 2.232 -13.652 -5.792 1.00 0.00 O ATOM 750 CB ALA A 49 1.737 -12.437 -8.757 1.00 0.00 C ATOM 0 H ALA A 49 0.352 -10.602 -7.897 1.00 0.00 H new ATOM 0 HA ALA A 49 0.361 -13.572 -7.502 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.439 -13.266 -8.853 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.083 -12.413 -9.628 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.289 -11.500 -8.692 1.00 0.00 H new ATOM 756 N THR A 50 2.030 -11.458 -5.690 1.00 0.00 N ATOM 757 CA THR A 50 2.875 -11.376 -4.465 1.00 0.00 C ATOM 758 C THR A 50 2.189 -10.501 -3.408 1.00 0.00 C ATOM 759 O THR A 50 2.775 -10.174 -2.395 1.00 0.00 O ATOM 760 CB THR A 50 4.183 -10.733 -4.928 1.00 0.00 C ATOM 761 OG1 THR A 50 3.908 -9.460 -5.495 1.00 0.00 O ATOM 762 CG2 THR A 50 4.847 -11.628 -5.975 1.00 0.00 C ATOM 0 H THR A 50 1.679 -10.564 -6.033 1.00 0.00 H new ATOM 0 HA THR A 50 3.041 -12.353 -4.010 1.00 0.00 H new ATOM 0 HB THR A 50 4.853 -10.614 -4.077 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.745 -9.046 -5.791 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.779 -11.171 -6.306 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.057 -12.605 -5.539 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.179 -11.748 -6.828 1.00 0.00 H new ATOM 770 N LYS A 51 0.948 -10.113 -3.636 1.00 0.00 N ATOM 771 CA LYS A 51 0.221 -9.252 -2.647 1.00 0.00 C ATOM 772 C LYS A 51 1.040 -7.997 -2.335 1.00 0.00 C ATOM 773 O LYS A 51 1.162 -7.589 -1.195 1.00 0.00 O ATOM 774 CB LYS A 51 0.049 -10.118 -1.393 1.00 0.00 C ATOM 775 CG LYS A 51 -0.763 -11.372 -1.739 1.00 0.00 C ATOM 776 CD LYS A 51 -2.221 -11.176 -1.317 1.00 0.00 C ATOM 777 CE LYS A 51 -2.959 -12.515 -1.397 1.00 0.00 C ATOM 778 NZ LYS A 51 -2.751 -13.148 -0.066 1.00 0.00 N ATOM 0 H LYS A 51 0.410 -10.359 -4.467 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.742 -8.914 -3.031 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.025 -10.402 -0.999 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.457 -9.549 -0.613 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.708 -11.569 -2.810 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.342 -12.241 -1.233 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.267 -10.783 -0.301 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.703 -10.443 -1.964 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.019 -12.370 -1.604 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.560 -13.138 -2.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.228 -14.072 -0.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.733 -13.280 0.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.146 -12.535 0.675 1.00 0.00 H new ATOM 792 N THR A 52 1.609 -7.391 -3.345 1.00 0.00 N ATOM 793 CA THR A 52 2.431 -6.162 -3.118 1.00 0.00 C ATOM 794 C THR A 52 1.936 -5.007 -3.995 1.00 0.00 C ATOM 795 O THR A 52 1.766 -5.154 -5.192 1.00 0.00 O ATOM 796 CB THR A 52 3.854 -6.559 -3.513 1.00 0.00 C ATOM 797 OG1 THR A 52 4.238 -7.718 -2.788 1.00 0.00 O ATOM 798 CG2 THR A 52 4.812 -5.412 -3.189 1.00 0.00 C ATOM 0 H THR A 52 1.541 -7.693 -4.317 1.00 0.00 H new ATOM 0 HA THR A 52 2.370 -5.818 -2.086 1.00 0.00 H new ATOM 0 HB THR A 52 3.891 -6.770 -4.582 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.097 -8.513 -3.344 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.826 -5.695 -3.470 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.516 -4.522 -3.745 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.778 -5.200 -2.120 1.00 0.00 H new ATOM 806 N PHE A 53 1.710 -3.857 -3.407 1.00 0.00 N ATOM 807 CA PHE A 53 1.234 -2.683 -4.199 1.00 0.00 C ATOM 808 C PHE A 53 2.441 -1.918 -4.769 1.00 0.00 C ATOM 809 O PHE A 53 3.566 -2.363 -4.644 1.00 0.00 O ATOM 810 CB PHE A 53 0.453 -1.824 -3.201 1.00 0.00 C ATOM 811 CG PHE A 53 -0.824 -2.535 -2.810 1.00 0.00 C ATOM 812 CD1 PHE A 53 -0.808 -3.492 -1.785 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.028 -2.238 -3.467 1.00 0.00 C ATOM 814 CE1 PHE A 53 -1.991 -4.150 -1.419 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.207 -2.898 -3.099 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.189 -3.852 -2.077 1.00 0.00 C ATOM 0 H PHE A 53 1.835 -3.682 -2.410 1.00 0.00 H new ATOM 0 HA PHE A 53 0.613 -2.968 -5.048 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.061 -1.633 -2.316 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.221 -0.855 -3.643 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.117 -3.723 -1.277 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.045 -1.501 -4.256 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.977 -4.887 -0.629 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.133 -2.669 -3.606 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.100 -4.359 -1.796 1.00 0.00 H new ATOM 826 N THR A 54 2.229 -0.773 -5.389 1.00 0.00 N ATOM 827 CA THR A 54 3.375 0.001 -5.949 1.00 0.00 C ATOM 828 C THR A 54 2.933 1.445 -6.097 1.00 0.00 C ATOM 829 O THR A 54 2.249 1.797 -7.038 1.00 0.00 O ATOM 830 CB THR A 54 3.688 -0.608 -7.323 1.00 0.00 C ATOM 831 OG1 THR A 54 3.330 -1.985 -7.345 1.00 0.00 O ATOM 832 CG2 THR A 54 5.183 -0.470 -7.610 1.00 0.00 C ATOM 0 H THR A 54 1.312 -0.349 -5.527 1.00 0.00 H new ATOM 0 HA THR A 54 4.258 -0.036 -5.312 1.00 0.00 H new ATOM 0 HB THR A 54 3.113 -0.079 -8.084 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.015 -2.227 -8.241 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.408 -0.902 -8.585 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.458 0.585 -7.608 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.751 -0.994 -6.842 1.00 0.00 H new ATOM 840 N VAL A 55 3.293 2.272 -5.160 1.00 0.00 N ATOM 841 CA VAL A 55 2.863 3.700 -5.224 1.00 0.00 C ATOM 842 C VAL A 55 4.001 4.597 -5.721 1.00 0.00 C ATOM 843 O VAL A 55 4.894 4.969 -4.984 1.00 0.00 O ATOM 844 CB VAL A 55 2.394 4.076 -3.797 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.435 3.693 -2.742 1.00 0.00 C ATOM 846 CG2 VAL A 55 2.128 5.583 -3.717 1.00 0.00 C ATOM 0 H VAL A 55 3.865 2.025 -4.352 1.00 0.00 H new ATOM 0 HA VAL A 55 2.051 3.843 -5.937 1.00 0.00 H new ATOM 0 HB VAL A 55 1.478 3.521 -3.593 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.071 3.972 -1.753 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.607 2.617 -2.775 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.369 4.216 -2.946 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.798 5.841 -2.711 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.043 6.127 -3.950 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.353 5.854 -4.434 1.00 0.00 H new ATOM 856 N THR A 56 3.940 4.966 -6.972 1.00 0.00 N ATOM 857 CA THR A 56 4.974 5.866 -7.547 1.00 0.00 C ATOM 858 C THR A 56 4.623 7.306 -7.141 1.00 0.00 C ATOM 859 O THR A 56 3.569 7.554 -6.585 1.00 0.00 O ATOM 860 CB THR A 56 4.882 5.615 -9.075 1.00 0.00 C ATOM 861 OG1 THR A 56 5.800 4.592 -9.430 1.00 0.00 O ATOM 862 CG2 THR A 56 5.203 6.876 -9.890 1.00 0.00 C ATOM 0 H THR A 56 3.210 4.678 -7.624 1.00 0.00 H new ATOM 0 HA THR A 56 5.993 5.690 -7.201 1.00 0.00 H new ATOM 0 HB THR A 56 3.858 5.321 -9.304 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.158 4.770 -10.325 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.126 6.651 -10.954 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.496 7.665 -9.633 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.216 7.208 -9.662 1.00 0.00 H new ATOM 870 N GLU A 57 5.493 8.245 -7.408 1.00 0.00 N ATOM 871 CA GLU A 57 5.206 9.661 -7.034 1.00 0.00 C ATOM 872 C GLU A 57 5.318 10.565 -8.266 1.00 0.00 C ATOM 873 O GLU A 57 6.135 10.268 -9.121 1.00 0.00 O ATOM 874 CB GLU A 57 6.276 10.024 -6.003 1.00 0.00 C ATOM 875 CG GLU A 57 5.859 11.294 -5.258 1.00 0.00 C ATOM 876 CD GLU A 57 7.101 12.126 -4.931 1.00 0.00 C ATOM 877 OE1 GLU A 57 7.743 12.585 -5.861 1.00 0.00 O ATOM 878 OE2 GLU A 57 7.387 12.290 -3.757 1.00 0.00 O ATOM 879 OXT GLU A 57 4.583 11.536 -8.331 1.00 0.00 O ATOM 0 H GLU A 57 6.390 8.092 -7.869 1.00 0.00 H new ATOM 0 HA GLU A 57 4.199 9.788 -6.637 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.410 9.204 -5.298 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.235 10.178 -6.498 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.169 11.876 -5.868 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.331 11.033 -4.341 1.00 0.00 H new