USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=14 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 50 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 52 THR OG1 : rot 180:sc= -1.38 USER MOD Set 2.1: A 9 ASN :FLIP amide:sc= 1.07 F(o=-0.89,f=1.2) USER MOD Set 2.2: A 56 THR OG1 : rot -74:sc= 0.141 USER MOD Single : A 2 THR OG1 : rot 30:sc= 0.377 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -150:sc= -2.03! USER MOD Single : A 14 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0624) USER MOD Single : A 18 THR OG1 : rot 15:sc= 1.7 USER MOD Single : A 29 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.132) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 150:sc= -0.641 USER MOD Single : A 36 ASN : amide:sc= 0.798 K(o=0.8,f=-0.043) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 45 THR OG1 : rot 3:sc= -0.489! USER MOD Single : A 46 TYR OH : rot 180:sc= -1 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -18:sc= 0.115! USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -1.944 -12.373 5.629 1.00 0.00 N ATOM 21 CA THR A 2 -2.446 -11.312 4.706 1.00 0.00 C ATOM 22 C THR A 2 -1.606 -10.038 4.850 1.00 0.00 C ATOM 23 O THR A 2 -2.072 -8.947 4.577 1.00 0.00 O ATOM 24 CB THR A 2 -3.889 -11.055 5.144 1.00 0.00 C ATOM 25 OG1 THR A 2 -4.597 -12.285 5.184 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.567 -10.106 4.152 1.00 0.00 C ATOM 0 HA THR A 2 -2.384 -11.614 3.661 1.00 0.00 H new ATOM 0 HB THR A 2 -3.891 -10.602 6.135 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.976 -13.014 5.393 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.595 -9.925 4.466 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.024 -9.161 4.123 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.565 -10.556 3.159 1.00 0.00 H new ATOM 34 N THR A 3 -0.371 -10.168 5.272 1.00 0.00 N ATOM 35 CA THR A 3 0.499 -8.961 5.427 1.00 0.00 C ATOM 36 C THR A 3 0.820 -8.371 4.055 1.00 0.00 C ATOM 37 O THR A 3 1.686 -8.854 3.349 1.00 0.00 O ATOM 38 CB THR A 3 1.776 -9.459 6.107 1.00 0.00 C ATOM 39 OG1 THR A 3 1.432 -10.203 7.269 1.00 0.00 O ATOM 40 CG2 THR A 3 2.648 -8.264 6.504 1.00 0.00 C ATOM 0 H THR A 3 0.070 -11.055 5.515 1.00 0.00 H new ATOM 0 HA THR A 3 0.014 -8.179 6.011 1.00 0.00 H new ATOM 0 HB THR A 3 2.330 -10.095 5.417 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.249 -10.524 7.705 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.557 -8.622 6.988 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.912 -7.694 5.613 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.097 -7.625 7.194 1.00 0.00 H new ATOM 48 N PHE A 4 0.125 -7.332 3.672 1.00 0.00 N ATOM 49 CA PHE A 4 0.378 -6.704 2.342 1.00 0.00 C ATOM 50 C PHE A 4 1.601 -5.788 2.411 1.00 0.00 C ATOM 51 O PHE A 4 1.906 -5.222 3.443 1.00 0.00 O ATOM 52 CB PHE A 4 -0.880 -5.887 2.040 1.00 0.00 C ATOM 53 CG PHE A 4 -2.010 -6.821 1.687 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.982 -7.525 0.479 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.083 -6.985 2.569 1.00 0.00 C ATOM 56 CE1 PHE A 4 -3.026 -8.398 0.154 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.128 -7.855 2.243 1.00 0.00 C ATOM 58 CZ PHE A 4 -4.100 -8.563 1.036 1.00 0.00 C ATOM 0 H PHE A 4 -0.609 -6.890 4.225 1.00 0.00 H new ATOM 0 HA PHE A 4 0.579 -7.447 1.571 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.150 -5.282 2.905 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.691 -5.199 1.216 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.155 -7.395 -0.203 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.104 -6.440 3.501 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.003 -8.944 -0.777 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.957 -7.981 2.923 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.907 -9.236 0.785 1.00 0.00 H new ATOM 68 N LYS A 5 2.296 -5.638 1.315 1.00 0.00 N ATOM 69 CA LYS A 5 3.497 -4.753 1.295 1.00 0.00 C ATOM 70 C LYS A 5 3.252 -3.588 0.333 1.00 0.00 C ATOM 71 O LYS A 5 2.239 -3.543 -0.342 1.00 0.00 O ATOM 72 CB LYS A 5 4.638 -5.639 0.793 1.00 0.00 C ATOM 73 CG LYS A 5 4.851 -6.800 1.766 1.00 0.00 C ATOM 74 CD LYS A 5 6.017 -7.665 1.284 1.00 0.00 C ATOM 75 CE LYS A 5 5.559 -8.531 0.106 1.00 0.00 C ATOM 76 NZ LYS A 5 5.259 -9.861 0.703 1.00 0.00 N ATOM 0 H LYS A 5 2.082 -6.093 0.428 1.00 0.00 H new ATOM 0 HA LYS A 5 3.724 -4.327 2.272 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.405 -6.022 -0.201 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.553 -5.054 0.702 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.058 -6.417 2.765 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.944 -7.400 1.836 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.852 -7.033 0.981 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.375 -8.297 2.097 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.679 -8.107 -0.377 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.336 -8.606 -0.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.938 -10.512 -0.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.117 -10.242 1.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.512 -9.760 1.419 1.00 0.00 H new ATOM 90 N LEU A 6 4.160 -2.645 0.264 1.00 0.00 N ATOM 91 CA LEU A 6 3.957 -1.486 -0.658 1.00 0.00 C ATOM 92 C LEU A 6 5.305 -0.929 -1.118 1.00 0.00 C ATOM 93 O LEU A 6 6.056 -0.387 -0.337 1.00 0.00 O ATOM 94 CB LEU A 6 3.189 -0.457 0.182 1.00 0.00 C ATOM 95 CG LEU A 6 2.975 0.841 -0.611 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.739 0.709 -1.498 1.00 0.00 C ATOM 97 CD2 LEU A 6 2.776 2.003 0.364 1.00 0.00 C ATOM 0 H LEU A 6 5.026 -2.628 0.802 1.00 0.00 H new ATOM 0 HA LEU A 6 3.415 -1.758 -1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.225 -0.870 0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.741 -0.243 1.097 1.00 0.00 H new ATOM 0 HG LEU A 6 3.848 1.029 -1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.593 1.633 -2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.877 -0.119 -2.194 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.864 0.519 -0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.624 2.926 -0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.904 1.809 0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.659 2.103 0.996 1.00 0.00 H new ATOM 109 N ILE A 7 5.597 -1.045 -2.386 1.00 0.00 N ATOM 110 CA ILE A 7 6.882 -0.503 -2.914 1.00 0.00 C ATOM 111 C ILE A 7 6.655 0.934 -3.381 1.00 0.00 C ATOM 112 O ILE A 7 5.931 1.173 -4.334 1.00 0.00 O ATOM 113 CB ILE A 7 7.240 -1.411 -4.096 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.436 -2.845 -3.597 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.534 -0.923 -4.750 1.00 0.00 C ATOM 116 CD1 ILE A 7 7.459 -3.803 -4.789 1.00 0.00 C ATOM 0 H ILE A 7 4.999 -1.493 -3.080 1.00 0.00 H new ATOM 0 HA ILE A 7 7.680 -0.487 -2.172 1.00 0.00 H new ATOM 0 HB ILE A 7 6.432 -1.383 -4.827 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.368 -2.922 -3.037 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.631 -3.117 -2.914 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.784 -1.571 -5.590 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.398 0.098 -5.108 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.342 -0.947 -4.019 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.599 -4.824 -4.433 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.515 -3.733 -5.330 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.280 -3.536 -5.455 1.00 0.00 H new ATOM 128 N ILE A 8 7.244 1.896 -2.715 1.00 0.00 N ATOM 129 CA ILE A 8 7.029 3.312 -3.131 1.00 0.00 C ATOM 130 C ILE A 8 8.189 3.763 -4.030 1.00 0.00 C ATOM 131 O ILE A 8 9.323 3.848 -3.593 1.00 0.00 O ATOM 132 CB ILE A 8 6.965 4.156 -1.841 1.00 0.00 C ATOM 133 CG1 ILE A 8 5.718 3.796 -1.028 1.00 0.00 C ATOM 134 CG2 ILE A 8 6.861 5.639 -2.211 1.00 0.00 C ATOM 135 CD1 ILE A 8 5.905 2.445 -0.357 1.00 0.00 C ATOM 0 H ILE A 8 7.857 1.763 -1.911 1.00 0.00 H new ATOM 0 HA ILE A 8 6.107 3.429 -3.700 1.00 0.00 H new ATOM 0 HB ILE A 8 7.863 3.957 -1.257 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.531 4.562 -0.275 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.845 3.770 -1.679 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.816 6.239 -1.302 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.734 5.930 -2.795 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.959 5.805 -2.800 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.013 2.198 0.219 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.070 1.681 -1.117 1.00 0.00 H new ATOM 0 HD13 ILE A 8 6.767 2.486 0.309 1.00 0.00 H new ATOM 147 N ASN A 9 7.913 4.053 -5.274 1.00 0.00 N ATOM 148 CA ASN A 9 8.994 4.501 -6.203 1.00 0.00 C ATOM 149 C ASN A 9 8.855 6.007 -6.473 1.00 0.00 C ATOM 150 O ASN A 9 8.010 6.433 -7.235 1.00 0.00 O ATOM 151 CB ASN A 9 8.776 3.676 -7.482 1.00 0.00 C ATOM 152 CG ASN A 9 9.683 4.181 -8.614 1.00 0.00 C ATOM 153 OD1 ASN A 9 9.153 4.827 -9.621 1.00 0.00 O flip ATOM 154 ND2 ASN A 9 10.882 3.988 -8.580 1.00 0.00 N flip ATOM 0 H ASN A 9 6.983 3.999 -5.689 1.00 0.00 H new ATOM 0 HA ASN A 9 9.995 4.350 -5.799 1.00 0.00 H new ATOM 0 HB2 ASN A 9 8.985 2.625 -7.283 1.00 0.00 H new ATOM 0 HB3 ASN A 9 7.732 3.741 -7.789 1.00 0.00 H new ATOM 0 HD21 ASN A 9 11.295 3.485 -7.795 1.00 0.00 H new ATOM 0 HD22 ASN A 9 11.475 4.330 -9.336 1.00 0.00 H new ATOM 161 N GLY A 10 9.684 6.807 -5.851 1.00 0.00 N ATOM 162 CA GLY A 10 9.610 8.281 -6.064 1.00 0.00 C ATOM 163 C GLY A 10 10.719 8.971 -5.267 1.00 0.00 C ATOM 164 O GLY A 10 11.871 8.961 -5.656 1.00 0.00 O ATOM 0 H GLY A 10 10.410 6.500 -5.204 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.713 8.511 -7.124 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.636 8.656 -5.750 1.00 0.00 H new ATOM 168 N LYS A 11 10.376 9.570 -4.155 1.00 0.00 N ATOM 169 CA LYS A 11 11.403 10.266 -3.323 1.00 0.00 C ATOM 170 C LYS A 11 10.951 10.327 -1.860 1.00 0.00 C ATOM 171 O LYS A 11 11.282 11.248 -1.138 1.00 0.00 O ATOM 172 CB LYS A 11 11.512 11.678 -3.917 1.00 0.00 C ATOM 173 CG LYS A 11 10.146 12.375 -3.869 1.00 0.00 C ATOM 174 CD LYS A 11 10.210 13.682 -4.660 1.00 0.00 C ATOM 175 CE LYS A 11 8.929 14.484 -4.422 1.00 0.00 C ATOM 176 NZ LYS A 11 9.240 15.371 -3.266 1.00 0.00 N ATOM 0 H LYS A 11 9.426 9.607 -3.787 1.00 0.00 H new ATOM 0 HA LYS A 11 12.362 9.747 -3.334 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.246 12.260 -3.360 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.865 11.622 -4.947 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.379 11.723 -4.286 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.865 12.577 -2.835 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.079 14.264 -4.352 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.328 13.471 -5.723 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.657 15.065 -5.303 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.087 13.828 -4.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.408 15.954 -3.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.489 14.790 -2.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.041 15.989 -3.508 1.00 0.00 H new ATOM 190 N THR A 12 10.194 9.352 -1.425 1.00 0.00 N ATOM 191 CA THR A 12 9.710 9.344 -0.011 1.00 0.00 C ATOM 192 C THR A 12 9.695 7.924 0.541 1.00 0.00 C ATOM 193 O THR A 12 9.004 7.065 0.042 1.00 0.00 O ATOM 194 CB THR A 12 8.292 9.922 -0.060 1.00 0.00 C ATOM 195 OG1 THR A 12 7.649 9.516 -1.261 1.00 0.00 O ATOM 196 CG2 THR A 12 8.360 11.449 -0.007 1.00 0.00 C ATOM 0 H THR A 12 9.889 8.559 -1.990 1.00 0.00 H new ATOM 0 HA THR A 12 10.359 9.927 0.642 1.00 0.00 H new ATOM 0 HB THR A 12 7.724 9.554 0.794 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.004 10.201 -1.534 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.351 11.860 -0.042 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.846 11.760 0.918 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.931 11.818 -0.859 1.00 0.00 H new ATOM 204 N LEU A 13 10.461 7.684 1.578 1.00 0.00 N ATOM 205 CA LEU A 13 10.535 6.328 2.219 1.00 0.00 C ATOM 206 C LEU A 13 11.196 5.287 1.277 1.00 0.00 C ATOM 207 O LEU A 13 12.135 4.623 1.671 1.00 0.00 O ATOM 208 CB LEU A 13 9.076 5.996 2.670 1.00 0.00 C ATOM 209 CG LEU A 13 8.404 4.891 1.841 1.00 0.00 C ATOM 210 CD1 LEU A 13 9.005 3.527 2.199 1.00 0.00 C ATOM 211 CD2 LEU A 13 6.907 4.880 2.157 1.00 0.00 C ATOM 0 H LEU A 13 11.053 8.388 2.019 1.00 0.00 H new ATOM 0 HA LEU A 13 11.187 6.305 3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.090 5.693 3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.472 6.901 2.608 1.00 0.00 H new ATOM 0 HG LEU A 13 8.565 5.083 0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.522 2.750 1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.074 3.534 1.987 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.846 3.326 3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.418 4.099 1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.761 4.685 3.219 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.474 5.848 1.903 1.00 0.00 H new ATOM 223 N LYS A 14 10.735 5.140 0.051 1.00 0.00 N ATOM 224 CA LYS A 14 11.356 4.149 -0.892 1.00 0.00 C ATOM 225 C LYS A 14 11.523 2.772 -0.231 1.00 0.00 C ATOM 226 O LYS A 14 12.534 2.495 0.387 1.00 0.00 O ATOM 227 CB LYS A 14 12.723 4.741 -1.240 1.00 0.00 C ATOM 228 CG LYS A 14 12.557 5.805 -2.330 1.00 0.00 C ATOM 229 CD LYS A 14 13.790 6.722 -2.357 1.00 0.00 C ATOM 230 CE LYS A 14 14.455 6.664 -3.737 1.00 0.00 C ATOM 231 NZ LYS A 14 14.845 8.069 -4.035 1.00 0.00 N ATOM 0 H LYS A 14 9.952 5.667 -0.337 1.00 0.00 H new ATOM 0 HA LYS A 14 10.732 3.990 -1.772 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.177 5.182 -0.352 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.395 3.955 -1.584 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.427 5.327 -3.301 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.659 6.394 -2.142 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.497 7.747 -2.128 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.499 6.414 -1.589 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.324 6.006 -3.729 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.769 6.277 -4.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.453 8.089 -4.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.991 8.637 -4.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.364 8.465 -3.225 1.00 0.00 H new ATOM 245 N GLY A 15 10.546 1.909 -0.362 1.00 0.00 N ATOM 246 CA GLY A 15 10.658 0.551 0.252 1.00 0.00 C ATOM 247 C GLY A 15 9.270 0.033 0.642 1.00 0.00 C ATOM 248 O GLY A 15 8.261 0.563 0.221 1.00 0.00 O ATOM 0 H GLY A 15 9.678 2.086 -0.867 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.127 -0.137 -0.451 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.299 0.593 1.132 1.00 0.00 H new ATOM 252 N GLU A 16 9.226 -1.005 1.444 1.00 0.00 N ATOM 253 CA GLU A 16 7.919 -1.587 1.880 1.00 0.00 C ATOM 254 C GLU A 16 7.861 -1.659 3.409 1.00 0.00 C ATOM 255 O GLU A 16 8.879 -1.726 4.072 1.00 0.00 O ATOM 256 CB GLU A 16 7.903 -2.992 1.280 1.00 0.00 C ATOM 257 CG GLU A 16 7.847 -2.896 -0.247 1.00 0.00 C ATOM 258 CD GLU A 16 8.618 -4.067 -0.859 1.00 0.00 C ATOM 259 OE1 GLU A 16 8.160 -5.190 -0.721 1.00 0.00 O ATOM 260 OE2 GLU A 16 9.654 -3.822 -1.456 1.00 0.00 O ATOM 0 H GLU A 16 10.049 -1.477 1.818 1.00 0.00 H new ATOM 0 HA GLU A 16 7.066 -0.990 1.556 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.793 -3.540 1.588 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.042 -3.548 1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.811 -2.912 -0.586 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.276 -1.951 -0.579 1.00 0.00 H new ATOM 267 N ILE A 17 6.677 -1.649 3.972 1.00 0.00 N ATOM 268 CA ILE A 17 6.550 -1.720 5.460 1.00 0.00 C ATOM 269 C ILE A 17 5.773 -2.978 5.895 1.00 0.00 C ATOM 270 O ILE A 17 5.649 -3.245 7.071 1.00 0.00 O ATOM 271 CB ILE A 17 5.803 -0.440 5.858 1.00 0.00 C ATOM 272 CG1 ILE A 17 5.630 -0.396 7.379 1.00 0.00 C ATOM 273 CG2 ILE A 17 4.427 -0.401 5.189 1.00 0.00 C ATOM 274 CD1 ILE A 17 5.248 1.021 7.810 1.00 0.00 C ATOM 0 H ILE A 17 5.794 -1.595 3.465 1.00 0.00 H new ATOM 0 HA ILE A 17 7.523 -1.790 5.947 1.00 0.00 H new ATOM 0 HB ILE A 17 6.384 0.422 5.530 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.859 -1.102 7.688 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.555 -0.700 7.869 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.907 0.512 5.479 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.548 -0.421 4.106 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.844 -1.266 5.505 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.125 1.051 8.893 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.034 1.716 7.514 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.312 1.307 7.330 1.00 0.00 H new ATOM 286 N THR A 18 5.256 -3.746 4.955 1.00 0.00 N ATOM 287 CA THR A 18 4.489 -5.000 5.290 1.00 0.00 C ATOM 288 C THR A 18 3.452 -4.763 6.403 1.00 0.00 C ATOM 289 O THR A 18 3.779 -4.715 7.573 1.00 0.00 O ATOM 290 CB THR A 18 5.539 -6.034 5.736 1.00 0.00 C ATOM 291 OG1 THR A 18 6.121 -5.632 6.966 1.00 0.00 O ATOM 292 CG2 THR A 18 6.637 -6.172 4.672 1.00 0.00 C ATOM 0 H THR A 18 5.334 -3.554 3.956 1.00 0.00 H new ATOM 0 HA THR A 18 3.923 -5.344 4.424 1.00 0.00 H new ATOM 0 HB THR A 18 5.045 -6.997 5.865 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.573 -4.929 7.373 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.372 -6.906 5.001 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.193 -6.499 3.732 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.126 -5.209 4.527 1.00 0.00 H new ATOM 300 N ILE A 19 2.198 -4.639 6.038 1.00 0.00 N ATOM 301 CA ILE A 19 1.131 -4.422 7.067 1.00 0.00 C ATOM 302 C ILE A 19 0.003 -5.449 6.898 1.00 0.00 C ATOM 303 O ILE A 19 -0.321 -5.852 5.797 1.00 0.00 O ATOM 304 CB ILE A 19 0.609 -2.991 6.843 1.00 0.00 C ATOM 305 CG1 ILE A 19 -0.032 -2.862 5.452 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.770 -1.998 6.959 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.549 -3.041 5.567 1.00 0.00 C ATOM 0 H ILE A 19 1.867 -4.679 5.074 1.00 0.00 H new ATOM 0 HA ILE A 19 1.519 -4.546 8.078 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.144 -2.772 7.600 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.198 -1.886 5.024 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.383 -3.612 4.778 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.400 -0.985 6.800 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.213 -2.071 7.952 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.524 -2.231 6.207 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.002 -2.949 4.580 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.769 -4.027 5.977 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.957 -2.275 6.226 1.00 0.00 H new ATOM 319 N GLU A 20 -0.592 -5.873 7.987 1.00 0.00 N ATOM 320 CA GLU A 20 -1.700 -6.874 7.905 1.00 0.00 C ATOM 321 C GLU A 20 -3.051 -6.162 7.790 1.00 0.00 C ATOM 322 O GLU A 20 -3.198 -5.025 8.199 1.00 0.00 O ATOM 323 CB GLU A 20 -1.618 -7.660 9.214 1.00 0.00 C ATOM 324 CG GLU A 20 -2.300 -9.019 9.039 1.00 0.00 C ATOM 325 CD GLU A 20 -2.871 -9.479 10.382 1.00 0.00 C ATOM 326 OE1 GLU A 20 -3.960 -9.044 10.719 1.00 0.00 O ATOM 327 OE2 GLU A 20 -2.210 -10.256 11.049 1.00 0.00 O ATOM 0 H GLU A 20 -0.357 -5.567 8.931 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.609 -7.521 7.033 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.576 -7.799 9.502 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.099 -7.101 10.017 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.097 -8.946 8.299 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.585 -9.752 8.666 1.00 0.00 H new ATOM 334 N ALA A 21 -4.035 -6.824 7.235 1.00 0.00 N ATOM 335 CA ALA A 21 -5.382 -6.194 7.088 1.00 0.00 C ATOM 336 C ALA A 21 -6.422 -7.243 6.689 1.00 0.00 C ATOM 337 O ALA A 21 -6.088 -8.352 6.318 1.00 0.00 O ATOM 338 CB ALA A 21 -5.214 -5.157 5.976 1.00 0.00 C ATOM 0 H ALA A 21 -3.963 -7.776 6.877 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.729 -5.745 8.019 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.163 -4.648 5.807 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.459 -4.428 6.269 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.900 -5.655 5.058 1.00 0.00 H new ATOM 344 N VAL A 22 -7.683 -6.898 6.767 1.00 0.00 N ATOM 345 CA VAL A 22 -8.765 -7.863 6.397 1.00 0.00 C ATOM 346 C VAL A 22 -8.550 -8.402 4.975 1.00 0.00 C ATOM 347 O VAL A 22 -8.757 -9.570 4.707 1.00 0.00 O ATOM 348 CB VAL A 22 -10.070 -7.057 6.489 1.00 0.00 C ATOM 349 CG1 VAL A 22 -10.022 -5.870 5.522 1.00 0.00 C ATOM 350 CG2 VAL A 22 -11.257 -7.957 6.130 1.00 0.00 C ATOM 0 H VAL A 22 -8.012 -5.982 7.073 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.780 -8.732 7.054 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.187 -6.686 7.507 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.951 -5.304 5.594 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.183 -5.224 5.780 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.898 -6.236 4.503 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.182 -7.383 6.196 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.135 -8.333 5.114 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.300 -8.796 6.824 1.00 0.00 H new ATOM 360 N ASP A 23 -8.137 -7.554 4.068 1.00 0.00 N ATOM 361 CA ASP A 23 -7.905 -8.000 2.662 1.00 0.00 C ATOM 362 C ASP A 23 -7.016 -6.988 1.939 1.00 0.00 C ATOM 363 O ASP A 23 -6.684 -5.950 2.482 1.00 0.00 O ATOM 364 CB ASP A 23 -9.294 -8.048 2.024 1.00 0.00 C ATOM 365 CG ASP A 23 -9.856 -9.467 2.129 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.344 -10.339 1.445 1.00 0.00 O ATOM 367 OD2 ASP A 23 -10.788 -9.659 2.892 1.00 0.00 O ATOM 0 H ASP A 23 -7.950 -6.567 4.242 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.404 -8.966 2.608 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.960 -7.344 2.524 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.236 -7.745 0.979 1.00 0.00 H new ATOM 372 N ALA A 24 -6.629 -7.278 0.722 1.00 0.00 N ATOM 373 CA ALA A 24 -5.758 -6.325 -0.030 1.00 0.00 C ATOM 374 C ALA A 24 -6.489 -4.994 -0.227 1.00 0.00 C ATOM 375 O ALA A 24 -5.881 -3.941 -0.260 1.00 0.00 O ATOM 376 CB ALA A 24 -5.478 -6.992 -1.377 1.00 0.00 C ATOM 0 H ALA A 24 -6.877 -8.130 0.219 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.833 -6.109 0.504 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.842 -6.343 -1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.973 -7.944 -1.214 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.419 -7.165 -1.900 1.00 0.00 H new ATOM 382 N ALA A 25 -7.795 -5.037 -0.353 1.00 0.00 N ATOM 383 CA ALA A 25 -8.579 -3.780 -0.541 1.00 0.00 C ATOM 384 C ALA A 25 -8.325 -2.829 0.632 1.00 0.00 C ATOM 385 O ALA A 25 -8.047 -1.658 0.446 1.00 0.00 O ATOM 386 CB ALA A 25 -10.048 -4.213 -0.571 1.00 0.00 C ATOM 0 H ALA A 25 -8.350 -5.892 -0.333 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.299 -3.254 -1.453 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.683 -3.337 -0.707 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.206 -4.907 -1.396 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.302 -4.703 0.369 1.00 0.00 H new ATOM 392 N GLU A 26 -8.402 -3.335 1.836 1.00 0.00 N ATOM 393 CA GLU A 26 -8.147 -2.474 3.030 1.00 0.00 C ATOM 394 C GLU A 26 -6.671 -2.076 3.049 1.00 0.00 C ATOM 395 O GLU A 26 -6.326 -0.950 3.354 1.00 0.00 O ATOM 396 CB GLU A 26 -8.496 -3.343 4.248 1.00 0.00 C ATOM 397 CG GLU A 26 -9.617 -2.680 5.054 1.00 0.00 C ATOM 398 CD GLU A 26 -10.924 -2.745 4.261 1.00 0.00 C ATOM 399 OE1 GLU A 26 -11.190 -3.784 3.680 1.00 0.00 O ATOM 400 OE2 GLU A 26 -11.637 -1.755 4.247 1.00 0.00 O ATOM 0 H GLU A 26 -8.630 -4.307 2.044 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.737 -1.558 3.024 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.808 -4.335 3.921 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.615 -3.477 4.875 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.736 -3.183 6.013 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.361 -1.642 5.268 1.00 0.00 H new ATOM 407 N ALA A 27 -5.798 -2.994 2.704 1.00 0.00 N ATOM 408 CA ALA A 27 -4.336 -2.672 2.678 1.00 0.00 C ATOM 409 C ALA A 27 -4.087 -1.512 1.712 1.00 0.00 C ATOM 410 O ALA A 27 -3.337 -0.601 2.002 1.00 0.00 O ATOM 411 CB ALA A 27 -3.641 -3.938 2.176 1.00 0.00 C ATOM 0 H ALA A 27 -6.035 -3.950 2.440 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.962 -2.376 3.658 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.565 -3.770 2.133 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.852 -4.763 2.856 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.010 -4.185 1.180 1.00 0.00 H new ATOM 417 N GLU A 28 -4.735 -1.534 0.568 1.00 0.00 N ATOM 418 CA GLU A 28 -4.559 -0.422 -0.415 1.00 0.00 C ATOM 419 C GLU A 28 -4.987 0.893 0.235 1.00 0.00 C ATOM 420 O GLU A 28 -4.381 1.923 0.022 1.00 0.00 O ATOM 421 CB GLU A 28 -5.471 -0.761 -1.597 1.00 0.00 C ATOM 422 CG GLU A 28 -5.042 0.058 -2.820 1.00 0.00 C ATOM 423 CD GLU A 28 -6.271 0.398 -3.665 1.00 0.00 C ATOM 424 OE1 GLU A 28 -7.319 0.629 -3.086 1.00 0.00 O ATOM 425 OE2 GLU A 28 -6.143 0.422 -4.878 1.00 0.00 O ATOM 0 H GLU A 28 -5.375 -2.273 0.277 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.524 -0.313 -0.739 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.415 -1.826 -1.821 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.509 -0.543 -1.345 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.543 0.973 -2.501 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.324 -0.506 -3.415 1.00 0.00 H new ATOM 432 N LYS A 29 -6.015 0.851 1.047 1.00 0.00 N ATOM 433 CA LYS A 29 -6.473 2.091 1.742 1.00 0.00 C ATOM 434 C LYS A 29 -5.440 2.472 2.804 1.00 0.00 C ATOM 435 O LYS A 29 -4.998 3.605 2.882 1.00 0.00 O ATOM 436 CB LYS A 29 -7.809 1.725 2.391 1.00 0.00 C ATOM 437 CG LYS A 29 -8.858 1.467 1.304 1.00 0.00 C ATOM 438 CD LYS A 29 -10.209 2.035 1.745 1.00 0.00 C ATOM 439 CE LYS A 29 -10.197 3.557 1.594 1.00 0.00 C ATOM 440 NZ LYS A 29 -10.499 3.803 0.157 1.00 0.00 N ATOM 0 H LYS A 29 -6.555 0.012 1.257 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.585 2.939 1.067 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.691 0.838 3.014 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.140 2.532 3.045 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.546 1.930 0.367 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.946 0.397 1.117 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.010 1.606 1.143 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.409 1.763 2.782 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.941 4.024 2.239 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.229 3.974 1.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.907 4.583 -0.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.299 2.943 -0.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.502 4.056 0.051 1.00 0.00 H new ATOM 454 N ILE A 30 -5.030 1.516 3.607 1.00 0.00 N ATOM 455 CA ILE A 30 -3.999 1.799 4.655 1.00 0.00 C ATOM 456 C ILE A 30 -2.724 2.290 3.969 1.00 0.00 C ATOM 457 O ILE A 30 -2.054 3.191 4.440 1.00 0.00 O ATOM 458 CB ILE A 30 -3.748 0.460 5.358 1.00 0.00 C ATOM 459 CG1 ILE A 30 -5.042 -0.038 6.008 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.681 0.636 6.442 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.963 -1.556 6.199 1.00 0.00 C ATOM 0 H ILE A 30 -5.366 0.553 3.581 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.317 2.562 5.365 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.407 -0.266 4.620 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.192 0.453 6.969 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.898 0.217 5.383 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.506 -0.318 6.939 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.754 0.983 5.987 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.023 1.368 7.173 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.883 -1.913 6.662 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.833 -2.038 5.230 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.116 -1.798 6.841 1.00 0.00 H new ATOM 473 N PHE A 31 -2.404 1.705 2.846 1.00 0.00 N ATOM 474 CA PHE A 31 -1.190 2.127 2.093 1.00 0.00 C ATOM 475 C PHE A 31 -1.462 3.464 1.404 1.00 0.00 C ATOM 476 O PHE A 31 -0.612 4.332 1.358 1.00 0.00 O ATOM 477 CB PHE A 31 -0.954 1.023 1.059 1.00 0.00 C ATOM 478 CG PHE A 31 -0.167 -0.101 1.686 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.036 0.169 2.348 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.639 -1.414 1.597 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.767 -0.876 2.922 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.093 -2.460 2.171 1.00 0.00 C ATOM 483 CZ PHE A 31 1.296 -2.190 2.834 1.00 0.00 C ATOM 0 H PHE A 31 -2.936 0.948 2.416 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.320 2.261 2.736 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.908 0.649 0.688 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.414 1.424 0.201 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.400 1.184 2.416 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.568 -1.621 1.086 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.695 -0.668 3.433 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.270 -3.475 2.102 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.861 -2.997 3.278 1.00 0.00 H new ATOM 493 N LYS A 32 -2.651 3.636 0.875 1.00 0.00 N ATOM 494 CA LYS A 32 -2.996 4.916 0.195 1.00 0.00 C ATOM 495 C LYS A 32 -3.171 6.054 1.214 1.00 0.00 C ATOM 496 O LYS A 32 -3.340 7.200 0.841 1.00 0.00 O ATOM 497 CB LYS A 32 -4.300 4.650 -0.552 1.00 0.00 C ATOM 498 CG LYS A 32 -3.994 3.889 -1.846 1.00 0.00 C ATOM 499 CD LYS A 32 -5.299 3.388 -2.472 1.00 0.00 C ATOM 500 CE LYS A 32 -6.104 4.575 -3.005 1.00 0.00 C ATOM 501 NZ LYS A 32 -7.517 4.106 -3.020 1.00 0.00 N ATOM 0 H LYS A 32 -3.396 2.940 0.887 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.203 5.232 -0.483 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.979 4.070 0.073 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.801 5.591 -0.779 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.470 4.539 -2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.333 3.048 -1.637 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.081 2.691 -3.281 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.884 2.843 -1.731 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.985 5.451 -2.367 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.772 4.861 -4.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.131 4.867 -3.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.601 3.276 -3.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.807 3.848 -2.055 1.00 0.00 H new ATOM 515 N GLN A 33 -3.071 5.761 2.490 1.00 0.00 N ATOM 516 CA GLN A 33 -3.163 6.836 3.523 1.00 0.00 C ATOM 517 C GLN A 33 -1.748 6.992 4.051 1.00 0.00 C ATOM 518 O GLN A 33 -1.207 8.069 4.170 1.00 0.00 O ATOM 519 CB GLN A 33 -4.105 6.298 4.603 1.00 0.00 C ATOM 520 CG GLN A 33 -4.280 7.349 5.700 1.00 0.00 C ATOM 521 CD GLN A 33 -5.330 6.871 6.705 1.00 0.00 C ATOM 522 OE1 GLN A 33 -6.497 6.774 6.383 1.00 0.00 O ATOM 523 NE2 GLN A 33 -4.961 6.564 7.918 1.00 0.00 N ATOM 0 H GLN A 33 -2.929 4.820 2.858 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.537 7.795 3.165 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.072 6.050 4.166 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.701 5.379 5.027 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.330 7.523 6.206 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.587 8.299 5.262 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.981 6.645 8.189 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -5.652 6.243 8.595 1.00 0.00 H new ATOM 532 N TYR A 34 -1.139 5.867 4.295 1.00 0.00 N ATOM 533 CA TYR A 34 0.274 5.801 4.740 1.00 0.00 C ATOM 534 C TYR A 34 1.156 6.618 3.768 1.00 0.00 C ATOM 535 O TYR A 34 2.082 7.295 4.171 1.00 0.00 O ATOM 536 CB TYR A 34 0.537 4.292 4.630 1.00 0.00 C ATOM 537 CG TYR A 34 2.019 3.973 4.645 1.00 0.00 C ATOM 538 CD1 TYR A 34 2.685 3.820 5.868 1.00 0.00 C ATOM 539 CD2 TYR A 34 2.721 3.824 3.443 1.00 0.00 C ATOM 540 CE1 TYR A 34 4.052 3.518 5.888 1.00 0.00 C ATOM 541 CE2 TYR A 34 4.089 3.523 3.464 1.00 0.00 C ATOM 542 CZ TYR A 34 4.753 3.370 4.686 1.00 0.00 C ATOM 543 OH TYR A 34 6.100 3.071 4.708 1.00 0.00 O ATOM 0 H TYR A 34 -1.585 4.955 4.199 1.00 0.00 H new ATOM 0 HA TYR A 34 0.483 6.206 5.730 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.047 3.777 5.456 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.093 3.912 3.710 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.144 3.935 6.796 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.208 3.941 2.500 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.565 3.399 6.831 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.631 3.409 2.537 1.00 0.00 H new ATOM 0 HH TYR A 34 6.333 2.550 3.911 1.00 0.00 H new ATOM 553 N ALA A 35 0.845 6.564 2.493 1.00 0.00 N ATOM 554 CA ALA A 35 1.626 7.343 1.483 1.00 0.00 C ATOM 555 C ALA A 35 1.357 8.841 1.692 1.00 0.00 C ATOM 556 O ALA A 35 2.236 9.604 2.043 1.00 0.00 O ATOM 557 CB ALA A 35 1.088 6.907 0.109 1.00 0.00 C ATOM 0 H ALA A 35 0.079 6.010 2.109 1.00 0.00 H new ATOM 0 HA ALA A 35 2.699 7.168 1.567 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.620 7.443 -0.677 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.238 5.835 -0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.024 7.134 0.046 1.00 0.00 H new ATOM 563 N ASN A 36 0.136 9.256 1.462 1.00 0.00 N ATOM 564 CA ASN A 36 -0.231 10.702 1.622 1.00 0.00 C ATOM 565 C ASN A 36 0.098 11.204 3.029 1.00 0.00 C ATOM 566 O ASN A 36 0.597 12.299 3.200 1.00 0.00 O ATOM 567 CB ASN A 36 -1.740 10.755 1.392 1.00 0.00 C ATOM 568 CG ASN A 36 -2.043 10.530 -0.091 1.00 0.00 C ATOM 569 OD1 ASN A 36 -2.074 11.465 -0.866 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.271 9.319 -0.522 1.00 0.00 N ATOM 0 H ASN A 36 -0.631 8.651 1.167 1.00 0.00 H new ATOM 0 HA ASN A 36 0.323 11.332 0.927 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.236 9.994 1.994 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.133 11.720 1.711 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.475 9.159 -1.508 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.245 8.533 0.128 1.00 0.00 H new ATOM 577 N ASP A 37 -0.191 10.415 4.039 1.00 0.00 N ATOM 578 CA ASP A 37 0.088 10.838 5.456 1.00 0.00 C ATOM 579 C ASP A 37 1.506 11.397 5.592 1.00 0.00 C ATOM 580 O ASP A 37 1.776 12.257 6.408 1.00 0.00 O ATOM 581 CB ASP A 37 -0.070 9.568 6.292 1.00 0.00 C ATOM 582 CG ASP A 37 -1.545 9.373 6.652 1.00 0.00 C ATOM 583 OD1 ASP A 37 -2.377 9.567 5.780 1.00 0.00 O ATOM 584 OD2 ASP A 37 -1.816 9.035 7.792 1.00 0.00 O ATOM 0 H ASP A 37 -0.611 9.490 3.944 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.588 11.629 5.780 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.296 8.706 5.735 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.530 9.640 7.199 1.00 0.00 H new ATOM 589 N ASN A 38 2.395 10.921 4.772 1.00 0.00 N ATOM 590 CA ASN A 38 3.792 11.415 4.800 1.00 0.00 C ATOM 591 C ASN A 38 4.006 12.378 3.632 1.00 0.00 C ATOM 592 O ASN A 38 4.584 13.437 3.778 1.00 0.00 O ATOM 593 CB ASN A 38 4.664 10.168 4.644 1.00 0.00 C ATOM 594 CG ASN A 38 6.121 10.521 4.953 1.00 0.00 C ATOM 595 OD1 ASN A 38 6.427 10.998 6.028 1.00 0.00 O ATOM 596 ND2 ASN A 38 7.038 10.303 4.051 1.00 0.00 N ATOM 0 H ASN A 38 2.209 10.201 4.074 1.00 0.00 H new ATOM 0 HA ASN A 38 4.033 11.953 5.717 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.318 9.383 5.317 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.581 9.778 3.630 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.012 10.533 4.248 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.781 9.903 3.149 1.00 0.00 H new ATOM 603 N GLY A 39 3.536 12.004 2.471 1.00 0.00 N ATOM 604 CA GLY A 39 3.691 12.867 1.266 1.00 0.00 C ATOM 605 C GLY A 39 4.189 11.989 0.127 1.00 0.00 C ATOM 606 O GLY A 39 5.294 12.149 -0.357 1.00 0.00 O ATOM 0 H GLY A 39 3.045 11.125 2.306 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.740 13.331 1.003 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.396 13.675 1.462 1.00 0.00 H new ATOM 610 N ILE A 40 3.397 11.024 -0.267 1.00 0.00 N ATOM 611 CA ILE A 40 3.829 10.085 -1.331 1.00 0.00 C ATOM 612 C ILE A 40 2.871 10.159 -2.523 1.00 0.00 C ATOM 613 O ILE A 40 1.666 10.167 -2.362 1.00 0.00 O ATOM 614 CB ILE A 40 3.728 8.736 -0.630 1.00 0.00 C ATOM 615 CG1 ILE A 40 4.652 8.742 0.635 1.00 0.00 C ATOM 616 CG2 ILE A 40 4.052 7.591 -1.605 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.840 7.797 0.493 1.00 0.00 C ATOM 0 H ILE A 40 2.465 10.850 0.109 1.00 0.00 H new ATOM 0 HA ILE A 40 4.821 10.291 -1.733 1.00 0.00 H new ATOM 0 HB ILE A 40 2.706 8.565 -0.292 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.016 9.754 0.811 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.067 8.457 1.510 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.974 6.637 -1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.346 7.610 -2.436 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.065 7.714 -1.987 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.448 7.839 1.396 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.480 6.779 0.345 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.443 8.096 -0.364 1.00 0.00 H new ATOM 629 N ASP A 41 3.403 10.203 -3.712 1.00 0.00 N ATOM 630 CA ASP A 41 2.539 10.265 -4.927 1.00 0.00 C ATOM 631 C ASP A 41 3.007 9.213 -5.929 1.00 0.00 C ATOM 632 O ASP A 41 4.059 8.625 -5.760 1.00 0.00 O ATOM 633 CB ASP A 41 2.737 11.673 -5.489 1.00 0.00 C ATOM 634 CG ASP A 41 1.851 12.659 -4.725 1.00 0.00 C ATOM 635 OD1 ASP A 41 0.641 12.535 -4.822 1.00 0.00 O ATOM 636 OD2 ASP A 41 2.398 13.520 -4.056 1.00 0.00 O ATOM 0 H ASP A 41 4.406 10.199 -3.897 1.00 0.00 H new ATOM 0 HA ASP A 41 1.489 10.068 -4.710 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.783 11.966 -5.403 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.487 11.691 -6.550 1.00 0.00 H new ATOM 641 N GLY A 42 2.252 8.978 -6.975 1.00 0.00 N ATOM 642 CA GLY A 42 2.690 7.969 -7.974 1.00 0.00 C ATOM 643 C GLY A 42 1.524 7.120 -8.479 1.00 0.00 C ATOM 644 O GLY A 42 0.397 7.259 -8.042 1.00 0.00 O ATOM 0 H GLY A 42 1.363 9.438 -7.174 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.162 8.474 -8.817 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.444 7.321 -7.528 1.00 0.00 H new ATOM 648 N GLU A 43 1.807 6.228 -9.400 1.00 0.00 N ATOM 649 CA GLU A 43 0.740 5.342 -9.955 1.00 0.00 C ATOM 650 C GLU A 43 0.492 4.167 -9.005 1.00 0.00 C ATOM 651 O GLU A 43 1.363 3.350 -8.790 1.00 0.00 O ATOM 652 CB GLU A 43 1.311 4.836 -11.281 1.00 0.00 C ATOM 653 CG GLU A 43 0.284 3.940 -11.979 1.00 0.00 C ATOM 654 CD GLU A 43 -0.824 4.807 -12.581 1.00 0.00 C ATOM 655 OE1 GLU A 43 -0.522 5.594 -13.463 1.00 0.00 O ATOM 656 OE2 GLU A 43 -1.957 4.667 -12.150 1.00 0.00 O ATOM 0 H GLU A 43 2.737 6.077 -9.791 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.210 5.860 -10.084 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.567 5.679 -11.923 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.231 4.280 -11.103 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.768 3.355 -12.761 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.140 3.232 -11.267 1.00 0.00 H new ATOM 663 N TRP A 44 -0.688 4.080 -8.439 1.00 0.00 N ATOM 664 CA TRP A 44 -0.994 2.955 -7.499 1.00 0.00 C ATOM 665 C TRP A 44 -1.320 1.682 -8.271 1.00 0.00 C ATOM 666 O TRP A 44 -2.139 1.676 -9.171 1.00 0.00 O ATOM 667 CB TRP A 44 -2.200 3.425 -6.688 1.00 0.00 C ATOM 668 CG TRP A 44 -1.698 4.214 -5.534 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.485 5.550 -5.522 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.317 3.722 -4.230 1.00 0.00 C ATOM 671 NE1 TRP A 44 -0.988 5.905 -4.282 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.866 4.809 -3.450 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.320 2.441 -3.658 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.426 4.632 -2.143 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.878 2.258 -2.342 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.431 3.351 -1.586 1.00 0.00 C ATOM 0 H TRP A 44 -1.452 4.739 -8.587 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.145 2.717 -6.858 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.861 4.032 -7.306 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.782 2.571 -6.341 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.672 6.226 -6.343 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.742 6.858 -4.014 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.664 1.594 -4.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.084 5.477 -1.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.881 1.270 -1.907 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.090 3.202 -0.572 1.00 0.00 H new ATOM 687 N THR A 45 -0.672 0.605 -7.917 1.00 0.00 N ATOM 688 CA THR A 45 -0.919 -0.691 -8.615 1.00 0.00 C ATOM 689 C THR A 45 -0.817 -1.827 -7.609 1.00 0.00 C ATOM 690 O THR A 45 0.111 -1.883 -6.828 1.00 0.00 O ATOM 691 CB THR A 45 0.187 -0.832 -9.672 1.00 0.00 C ATOM 692 OG1 THR A 45 1.414 -1.159 -9.034 1.00 0.00 O ATOM 693 CG2 THR A 45 0.352 0.475 -10.446 1.00 0.00 C ATOM 0 H THR A 45 0.022 0.566 -7.170 1.00 0.00 H new ATOM 0 HA THR A 45 -1.908 -0.722 -9.073 1.00 0.00 H new ATOM 0 HB THR A 45 -0.091 -1.624 -10.368 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.264 -1.265 -8.071 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.139 0.360 -11.191 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.585 0.724 -10.944 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.620 1.275 -9.756 1.00 0.00 H new ATOM 701 N TYR A 46 -1.753 -2.731 -7.632 1.00 0.00 N ATOM 702 CA TYR A 46 -1.707 -3.876 -6.678 1.00 0.00 C ATOM 703 C TYR A 46 -1.066 -5.091 -7.363 1.00 0.00 C ATOM 704 O TYR A 46 -1.239 -5.311 -8.548 1.00 0.00 O ATOM 705 CB TYR A 46 -3.172 -4.151 -6.304 1.00 0.00 C ATOM 706 CG TYR A 46 -3.268 -5.439 -5.511 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.519 -5.594 -4.341 1.00 0.00 C ATOM 708 CD2 TYR A 46 -4.091 -6.480 -5.959 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.592 -6.787 -3.615 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.165 -7.674 -5.231 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.415 -7.827 -4.060 1.00 0.00 C ATOM 712 OH TYR A 46 -3.487 -9.004 -3.345 1.00 0.00 O ATOM 0 H TYR A 46 -2.549 -2.729 -8.270 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.111 -3.663 -5.791 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.569 -3.322 -5.718 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.780 -4.223 -7.206 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.883 -4.791 -3.997 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.668 -6.362 -6.865 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.013 -6.905 -2.711 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.801 -8.477 -5.574 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.105 -9.620 -3.791 1.00 0.00 H new ATOM 722 N ASP A 47 -0.339 -5.880 -6.618 1.00 0.00 N ATOM 723 CA ASP A 47 0.308 -7.088 -7.204 1.00 0.00 C ATOM 724 C ASP A 47 -0.284 -8.347 -6.565 1.00 0.00 C ATOM 725 O ASP A 47 0.077 -8.722 -5.465 1.00 0.00 O ATOM 726 CB ASP A 47 1.792 -6.953 -6.865 1.00 0.00 C ATOM 727 CG ASP A 47 2.370 -5.727 -7.576 1.00 0.00 C ATOM 728 OD1 ASP A 47 1.801 -4.658 -7.427 1.00 0.00 O ATOM 729 OD2 ASP A 47 3.371 -5.878 -8.257 1.00 0.00 O ATOM 0 H ASP A 47 -0.165 -5.738 -5.623 1.00 0.00 H new ATOM 0 HA ASP A 47 0.151 -7.168 -8.280 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.922 -6.856 -5.787 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.329 -7.851 -7.171 1.00 0.00 H new ATOM 734 N ASP A 48 -1.192 -8.997 -7.250 1.00 0.00 N ATOM 735 CA ASP A 48 -1.824 -10.235 -6.690 1.00 0.00 C ATOM 736 C ASP A 48 -0.830 -11.410 -6.650 1.00 0.00 C ATOM 737 O ASP A 48 -1.140 -12.468 -6.136 1.00 0.00 O ATOM 738 CB ASP A 48 -2.993 -10.552 -7.632 1.00 0.00 C ATOM 739 CG ASP A 48 -2.473 -10.766 -9.057 1.00 0.00 C ATOM 740 OD1 ASP A 48 -2.333 -9.786 -9.769 1.00 0.00 O ATOM 741 OD2 ASP A 48 -2.224 -11.907 -9.411 1.00 0.00 O ATOM 0 H ASP A 48 -1.524 -8.724 -8.175 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.151 -10.081 -5.662 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.516 -11.445 -7.289 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.714 -9.735 -7.618 1.00 0.00 H new ATOM 746 N ALA A 49 0.357 -11.235 -7.178 1.00 0.00 N ATOM 747 CA ALA A 49 1.363 -12.336 -7.160 1.00 0.00 C ATOM 748 C ALA A 49 2.200 -12.250 -5.883 1.00 0.00 C ATOM 749 O ALA A 49 2.693 -13.245 -5.387 1.00 0.00 O ATOM 750 CB ALA A 49 2.236 -12.097 -8.393 1.00 0.00 C ATOM 0 H ALA A 49 0.671 -10.372 -7.622 1.00 0.00 H new ATOM 0 HA ALA A 49 0.902 -13.324 -7.178 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.004 -12.869 -8.451 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.617 -12.133 -9.290 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.710 -11.118 -8.319 1.00 0.00 H new ATOM 756 N THR A 50 2.347 -11.067 -5.341 1.00 0.00 N ATOM 757 CA THR A 50 3.134 -10.905 -4.086 1.00 0.00 C ATOM 758 C THR A 50 2.330 -10.095 -3.061 1.00 0.00 C ATOM 759 O THR A 50 2.841 -9.718 -2.024 1.00 0.00 O ATOM 760 CB THR A 50 4.393 -10.144 -4.504 1.00 0.00 C ATOM 761 OG1 THR A 50 4.023 -8.903 -5.088 1.00 0.00 O ATOM 762 CG2 THR A 50 5.179 -10.974 -5.519 1.00 0.00 C ATOM 0 H THR A 50 1.953 -10.205 -5.717 1.00 0.00 H new ATOM 0 HA THR A 50 3.373 -11.861 -3.620 1.00 0.00 H new ATOM 0 HB THR A 50 5.015 -9.962 -3.628 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.829 -8.414 -5.355 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.076 -10.431 -5.816 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.463 -11.925 -5.069 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.559 -11.158 -6.396 1.00 0.00 H new ATOM 770 N LYS A 51 1.071 -9.818 -3.344 1.00 0.00 N ATOM 771 CA LYS A 51 0.227 -9.027 -2.387 1.00 0.00 C ATOM 772 C LYS A 51 0.916 -7.700 -2.054 1.00 0.00 C ATOM 773 O LYS A 51 0.950 -7.278 -0.913 1.00 0.00 O ATOM 774 CB LYS A 51 0.095 -9.895 -1.128 1.00 0.00 C ATOM 775 CG LYS A 51 -0.526 -11.251 -1.484 1.00 0.00 C ATOM 776 CD LYS A 51 -2.043 -11.187 -1.306 1.00 0.00 C ATOM 777 CE LYS A 51 -2.650 -12.559 -1.608 1.00 0.00 C ATOM 778 NZ LYS A 51 -3.976 -12.267 -2.220 1.00 0.00 N ATOM 0 H LYS A 51 0.594 -10.107 -4.198 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.749 -8.789 -2.809 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.075 -10.043 -0.675 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.524 -9.386 -0.389 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.282 -11.514 -2.513 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.108 -12.031 -0.848 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.288 -10.885 -0.288 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.467 -10.435 -1.972 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.018 -13.129 -2.289 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.756 -13.152 -0.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.454 -13.160 -2.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.558 -11.729 -1.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.843 -11.707 -3.086 1.00 0.00 H new ATOM 792 N THR A 52 1.480 -7.052 -3.042 1.00 0.00 N ATOM 793 CA THR A 52 2.185 -5.757 -2.780 1.00 0.00 C ATOM 794 C THR A 52 1.671 -4.643 -3.701 1.00 0.00 C ATOM 795 O THR A 52 1.564 -4.813 -4.900 1.00 0.00 O ATOM 796 CB THR A 52 3.657 -6.049 -3.076 1.00 0.00 C ATOM 797 OG1 THR A 52 4.089 -7.145 -2.283 1.00 0.00 O ATOM 798 CG2 THR A 52 4.506 -4.817 -2.750 1.00 0.00 C ATOM 0 H THR A 52 1.484 -7.360 -4.014 1.00 0.00 H new ATOM 0 HA THR A 52 2.020 -5.410 -1.760 1.00 0.00 H new ATOM 0 HB THR A 52 3.771 -6.294 -4.132 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.032 -7.335 -2.473 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.554 -5.030 -2.963 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.176 -3.976 -3.360 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.394 -4.566 -1.695 1.00 0.00 H new ATOM 806 N PHE A 53 1.378 -3.495 -3.140 1.00 0.00 N ATOM 807 CA PHE A 53 0.900 -2.347 -3.965 1.00 0.00 C ATOM 808 C PHE A 53 2.121 -1.527 -4.417 1.00 0.00 C ATOM 809 O PHE A 53 3.238 -1.883 -4.090 1.00 0.00 O ATOM 810 CB PHE A 53 -0.010 -1.548 -3.030 1.00 0.00 C ATOM 811 CG PHE A 53 -1.262 -2.347 -2.741 1.00 0.00 C ATOM 812 CD1 PHE A 53 -1.252 -3.331 -1.741 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.434 -2.103 -3.469 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.414 -4.068 -1.471 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.592 -2.842 -3.195 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.583 -3.821 -2.197 1.00 0.00 C ATOM 0 H PHE A 53 1.451 -3.305 -2.140 1.00 0.00 H new ATOM 0 HA PHE A 53 0.363 -2.643 -4.866 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.513 -1.323 -2.101 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.272 -0.594 -3.488 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.349 -3.521 -1.179 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.445 -1.347 -4.240 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.406 -4.826 -0.702 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.495 -2.655 -3.757 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.479 -4.386 -1.987 1.00 0.00 H new ATOM 826 N THR A 54 1.945 -0.444 -5.158 1.00 0.00 N ATOM 827 CA THR A 54 3.134 0.342 -5.605 1.00 0.00 C ATOM 828 C THR A 54 2.700 1.733 -6.051 1.00 0.00 C ATOM 829 O THR A 54 1.847 1.875 -6.899 1.00 0.00 O ATOM 830 CB THR A 54 3.700 -0.434 -6.801 1.00 0.00 C ATOM 831 OG1 THR A 54 3.987 -1.770 -6.418 1.00 0.00 O ATOM 832 CG2 THR A 54 4.983 0.241 -7.291 1.00 0.00 C ATOM 0 H THR A 54 1.041 -0.083 -5.463 1.00 0.00 H new ATOM 0 HA THR A 54 3.868 0.465 -4.808 1.00 0.00 H new ATOM 0 HB THR A 54 2.962 -0.440 -7.603 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.041 -1.826 -5.441 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.383 -0.312 -8.141 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.762 1.264 -7.595 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.718 0.252 -6.486 1.00 0.00 H new ATOM 840 N VAL A 55 3.299 2.752 -5.504 1.00 0.00 N ATOM 841 CA VAL A 55 2.943 4.148 -5.913 1.00 0.00 C ATOM 842 C VAL A 55 4.184 4.788 -6.557 1.00 0.00 C ATOM 843 O VAL A 55 5.034 5.347 -5.892 1.00 0.00 O ATOM 844 CB VAL A 55 2.436 4.885 -4.625 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.178 4.430 -3.359 1.00 0.00 C ATOM 846 CG2 VAL A 55 2.586 6.406 -4.762 1.00 0.00 C ATOM 0 H VAL A 55 4.023 2.683 -4.789 1.00 0.00 H new ATOM 0 HA VAL A 55 2.148 4.199 -6.657 1.00 0.00 H new ATOM 0 HB VAL A 55 1.383 4.623 -4.524 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.790 4.970 -2.496 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.029 3.360 -3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.243 4.637 -3.467 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.226 6.890 -3.854 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.636 6.656 -4.915 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.002 6.754 -5.614 1.00 0.00 H new ATOM 856 N THR A 56 4.292 4.671 -7.862 1.00 0.00 N ATOM 857 CA THR A 56 5.475 5.227 -8.591 1.00 0.00 C ATOM 858 C THR A 56 5.254 6.726 -8.902 1.00 0.00 C ATOM 859 O THR A 56 4.511 7.091 -9.792 1.00 0.00 O ATOM 860 CB THR A 56 5.600 4.303 -9.848 1.00 0.00 C ATOM 861 OG1 THR A 56 6.861 3.655 -9.820 1.00 0.00 O ATOM 862 CG2 THR A 56 5.475 5.061 -11.177 1.00 0.00 C ATOM 0 H THR A 56 3.603 4.209 -8.456 1.00 0.00 H new ATOM 0 HA THR A 56 6.407 5.219 -8.026 1.00 0.00 H new ATOM 0 HB THR A 56 4.775 3.592 -9.799 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.563 4.295 -10.059 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.571 4.360 -12.006 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.502 5.551 -11.227 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.263 5.811 -11.243 1.00 0.00 H new ATOM 870 N GLU A 57 5.884 7.595 -8.146 1.00 0.00 N ATOM 871 CA GLU A 57 5.706 9.072 -8.366 1.00 0.00 C ATOM 872 C GLU A 57 5.943 9.440 -9.837 1.00 0.00 C ATOM 873 O GLU A 57 6.703 8.742 -10.488 1.00 0.00 O ATOM 874 CB GLU A 57 6.764 9.736 -7.481 1.00 0.00 C ATOM 875 CG GLU A 57 6.419 11.215 -7.297 1.00 0.00 C ATOM 876 CD GLU A 57 7.410 11.852 -6.320 1.00 0.00 C ATOM 877 OE1 GLU A 57 7.248 11.653 -5.127 1.00 0.00 O ATOM 878 OE2 GLU A 57 8.313 12.530 -6.781 1.00 0.00 O ATOM 879 OXT GLU A 57 5.357 10.412 -10.284 1.00 0.00 O ATOM 0 H GLU A 57 6.515 7.347 -7.384 1.00 0.00 H new ATOM 0 HA GLU A 57 4.695 9.396 -8.120 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.808 9.238 -6.512 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.749 9.635 -7.936 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.456 11.730 -8.257 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.402 11.318 -6.919 1.00 0.00 H new