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 9 ASN : amide:sc= 0 X(o=-0.98,f=-0.98) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= -0.975 USER MOD Set 2.1: A 50 THR OG1 : rot -72:sc= 0.834 USER MOD Set 2.2: A 52 THR OG1 : rot 110:sc= 0.314 USER MOD Set 3.1: A 45 THR OG1 : rot 2:sc=-0.00212 USER MOD Set 3.2: A 54 THR OG1 : rot 148:sc= 1.16 USER MOD Single : A 2 THR OG1 : rot 37:sc= 0.294 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0064 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 45:sc= -0.171 USER MOD Single : A 14 LYS NZ :NH3+ -177:sc=0.000935 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 28:sc= 0.169 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.00307) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.482 X(o=-0.48,f=0) USER MOD Single : A 38 ASN : amide:sc=-0.00273 X(o=-0.0027,f=-0.072) USER MOD Single : A 46 TYR OH : rot -149:sc= -1.11 USER MOD Single : A 51 LYS NZ :NH3+ 149:sc= 0.024 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -2.043 -12.851 4.921 1.00 0.00 N ATOM 21 CA THR A 2 -2.565 -11.719 4.099 1.00 0.00 C ATOM 22 C THR A 2 -1.740 -10.453 4.352 1.00 0.00 C ATOM 23 O THR A 2 -2.238 -9.347 4.247 1.00 0.00 O ATOM 24 CB THR A 2 -4.010 -11.525 4.564 1.00 0.00 C ATOM 25 OG1 THR A 2 -4.718 -12.749 4.429 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.682 -10.446 3.714 1.00 0.00 C ATOM 0 HA THR A 2 -2.506 -11.923 3.030 1.00 0.00 H new ATOM 0 HB THR A 2 -4.017 -11.215 5.609 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.124 -13.497 4.648 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.711 -10.309 4.047 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.138 -9.507 3.821 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.676 -10.751 2.668 1.00 0.00 H new ATOM 34 N THR A 3 -0.482 -10.608 4.681 1.00 0.00 N ATOM 35 CA THR A 3 0.380 -9.413 4.936 1.00 0.00 C ATOM 36 C THR A 3 0.711 -8.719 3.614 1.00 0.00 C ATOM 37 O THR A 3 1.458 -9.235 2.804 1.00 0.00 O ATOM 38 CB THR A 3 1.651 -9.961 5.588 1.00 0.00 C ATOM 39 OG1 THR A 3 1.297 -10.902 6.592 1.00 0.00 O ATOM 40 CG2 THR A 3 2.438 -8.811 6.219 1.00 0.00 C ATOM 0 H THR A 3 -0.015 -11.509 4.784 1.00 0.00 H new ATOM 0 HA THR A 3 -0.112 -8.678 5.572 1.00 0.00 H new ATOM 0 HB THR A 3 2.267 -10.449 4.833 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.110 -11.256 7.010 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.343 -9.202 6.683 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.708 -8.089 5.448 1.00 0.00 H new ATOM 0 HG23 THR A 3 1.824 -8.322 6.975 1.00 0.00 H new ATOM 48 N PHE A 4 0.155 -7.556 3.389 1.00 0.00 N ATOM 49 CA PHE A 4 0.425 -6.822 2.117 1.00 0.00 C ATOM 50 C PHE A 4 1.668 -5.944 2.255 1.00 0.00 C ATOM 51 O PHE A 4 1.933 -5.386 3.304 1.00 0.00 O ATOM 52 CB PHE A 4 -0.810 -5.950 1.892 1.00 0.00 C ATOM 53 CG PHE A 4 -2.015 -6.827 1.661 1.00 0.00 C ATOM 54 CD1 PHE A 4 -2.146 -7.534 0.461 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.000 -6.934 2.648 1.00 0.00 C ATOM 56 CE1 PHE A 4 -3.263 -8.349 0.248 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.117 -7.750 2.436 1.00 0.00 C ATOM 58 CZ PHE A 4 -4.247 -8.459 1.235 1.00 0.00 C ATOM 0 H PHE A 4 -0.477 -7.082 4.034 1.00 0.00 H new ATOM 0 HA PHE A 4 0.608 -7.504 1.287 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.976 -5.307 2.757 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.654 -5.296 1.034 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.385 -7.451 -0.301 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -2.899 -6.387 3.574 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.365 -8.893 -0.679 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.878 -7.833 3.198 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.108 -9.091 1.071 1.00 0.00 H new ATOM 68 N LYS A 5 2.421 -5.806 1.195 1.00 0.00 N ATOM 69 CA LYS A 5 3.640 -4.947 1.240 1.00 0.00 C ATOM 70 C LYS A 5 3.392 -3.681 0.416 1.00 0.00 C ATOM 71 O LYS A 5 2.290 -3.456 -0.052 1.00 0.00 O ATOM 72 CB LYS A 5 4.753 -5.791 0.614 1.00 0.00 C ATOM 73 CG LYS A 5 4.999 -7.038 1.470 1.00 0.00 C ATOM 74 CD LYS A 5 4.235 -8.224 0.881 1.00 0.00 C ATOM 75 CE LYS A 5 4.597 -9.500 1.646 1.00 0.00 C ATOM 76 NZ LYS A 5 4.704 -10.557 0.603 1.00 0.00 N ATOM 0 H LYS A 5 2.243 -6.254 0.296 1.00 0.00 H new ATOM 0 HA LYS A 5 3.901 -4.636 2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.476 -6.082 -0.399 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.668 -5.204 0.538 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.065 -7.262 1.507 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.676 -6.857 2.495 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.162 -8.044 0.941 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.480 -8.339 -0.175 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.536 -9.383 2.187 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.833 -9.749 2.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.950 -11.463 1.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.794 -10.651 0.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.443 -10.297 -0.081 1.00 0.00 H new ATOM 90 N LEU A 6 4.392 -2.852 0.233 1.00 0.00 N ATOM 91 CA LEU A 6 4.181 -1.604 -0.565 1.00 0.00 C ATOM 92 C LEU A 6 5.520 -0.950 -0.909 1.00 0.00 C ATOM 93 O LEU A 6 6.188 -0.408 -0.052 1.00 0.00 O ATOM 94 CB LEU A 6 3.357 -0.695 0.353 1.00 0.00 C ATOM 95 CG LEU A 6 3.025 0.612 -0.369 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.708 0.454 -1.129 1.00 0.00 C ATOM 97 CD2 LEU A 6 2.890 1.739 0.660 1.00 0.00 C ATOM 0 H LEU A 6 5.335 -2.984 0.598 1.00 0.00 H new ATOM 0 HA LEU A 6 3.681 -1.799 -1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.438 -1.200 0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.914 -0.485 1.266 1.00 0.00 H new ATOM 0 HG LEU A 6 3.822 0.854 -1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.471 1.385 -1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.803 -0.350 -1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.909 0.214 -0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.653 2.672 0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.092 1.497 1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.829 1.851 1.203 1.00 0.00 H new ATOM 109 N ILE A 7 5.902 -0.982 -2.161 1.00 0.00 N ATOM 110 CA ILE A 7 7.192 -0.347 -2.570 1.00 0.00 C ATOM 111 C ILE A 7 6.917 1.070 -3.082 1.00 0.00 C ATOM 112 O ILE A 7 6.281 1.250 -4.105 1.00 0.00 O ATOM 113 CB ILE A 7 7.744 -1.243 -3.689 1.00 0.00 C ATOM 114 CG1 ILE A 7 8.089 -2.625 -3.113 1.00 0.00 C ATOM 115 CG2 ILE A 7 9.010 -0.616 -4.289 1.00 0.00 C ATOM 116 CD1 ILE A 7 6.978 -3.618 -3.457 1.00 0.00 C ATOM 0 H ILE A 7 5.376 -1.420 -2.917 1.00 0.00 H new ATOM 0 HA ILE A 7 7.903 -0.261 -1.748 1.00 0.00 H new ATOM 0 HB ILE A 7 6.989 -1.344 -4.469 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.039 -2.972 -3.519 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.210 -2.559 -2.032 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.394 -1.259 -5.081 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.770 0.364 -4.701 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.766 -0.508 -3.511 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.226 -4.597 -3.047 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.037 -3.273 -3.029 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.879 -3.692 -4.540 1.00 0.00 H new ATOM 128 N ILE A 8 7.384 2.072 -2.380 1.00 0.00 N ATOM 129 CA ILE A 8 7.136 3.474 -2.836 1.00 0.00 C ATOM 130 C ILE A 8 8.188 3.880 -3.872 1.00 0.00 C ATOM 131 O ILE A 8 9.322 4.167 -3.536 1.00 0.00 O ATOM 132 CB ILE A 8 7.242 4.375 -1.600 1.00 0.00 C ATOM 133 CG1 ILE A 8 6.348 3.826 -0.439 1.00 0.00 C ATOM 134 CG2 ILE A 8 6.839 5.803 -2.012 1.00 0.00 C ATOM 135 CD1 ILE A 8 5.052 4.638 -0.251 1.00 0.00 C ATOM 0 H ILE A 8 7.922 1.982 -1.518 1.00 0.00 H new ATOM 0 HA ILE A 8 6.153 3.565 -3.299 1.00 0.00 H new ATOM 0 HB ILE A 8 8.265 4.388 -1.224 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.094 2.786 -0.643 1.00 0.00 H new ATOM 0 HG13 ILE A 8 6.918 3.839 0.490 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.907 6.464 -1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.510 6.159 -2.794 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.815 5.798 -2.386 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.471 4.212 0.567 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.302 5.673 -0.019 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.465 4.604 -1.169 1.00 0.00 H new ATOM 147 N ASN A 9 7.818 3.908 -5.126 1.00 0.00 N ATOM 148 CA ASN A 9 8.791 4.298 -6.192 1.00 0.00 C ATOM 149 C ASN A 9 8.806 5.819 -6.362 1.00 0.00 C ATOM 150 O ASN A 9 7.789 6.475 -6.238 1.00 0.00 O ATOM 151 CB ASN A 9 8.276 3.622 -7.463 1.00 0.00 C ATOM 152 CG ASN A 9 9.253 3.884 -8.611 1.00 0.00 C ATOM 153 OD1 ASN A 9 10.233 3.183 -8.762 1.00 0.00 O ATOM 154 ND2 ASN A 9 9.025 4.872 -9.432 1.00 0.00 N ATOM 0 H ASN A 9 6.882 3.677 -5.459 1.00 0.00 H new ATOM 0 HA ASN A 9 9.810 3.995 -5.953 1.00 0.00 H new ATOM 0 HB2 ASN A 9 8.169 2.550 -7.300 1.00 0.00 H new ATOM 0 HB3 ASN A 9 7.288 4.006 -7.717 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.670 5.056 -10.201 1.00 0.00 H new ATOM 0 HD22 ASN A 9 8.202 5.461 -9.305 1.00 0.00 H new ATOM 161 N GLY A 10 9.954 6.381 -6.648 1.00 0.00 N ATOM 162 CA GLY A 10 10.046 7.860 -6.829 1.00 0.00 C ATOM 163 C GLY A 10 11.172 8.415 -5.955 1.00 0.00 C ATOM 164 O GLY A 10 12.219 7.811 -5.821 1.00 0.00 O ATOM 0 H GLY A 10 10.833 5.877 -6.764 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.234 8.097 -7.876 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.099 8.329 -6.561 1.00 0.00 H new ATOM 168 N LYS A 11 10.959 9.561 -5.360 1.00 0.00 N ATOM 169 CA LYS A 11 12.014 10.165 -4.489 1.00 0.00 C ATOM 170 C LYS A 11 11.432 10.506 -3.113 1.00 0.00 C ATOM 171 O LYS A 11 11.873 11.432 -2.457 1.00 0.00 O ATOM 172 CB LYS A 11 12.461 11.437 -5.222 1.00 0.00 C ATOM 173 CG LYS A 11 11.264 12.371 -5.433 1.00 0.00 C ATOM 174 CD LYS A 11 11.764 13.757 -5.849 1.00 0.00 C ATOM 175 CE LYS A 11 11.844 13.834 -7.375 1.00 0.00 C ATOM 176 NZ LYS A 11 12.944 14.798 -7.654 1.00 0.00 N ATOM 0 H LYS A 11 10.100 10.105 -5.439 1.00 0.00 H new ATOM 0 HA LYS A 11 12.848 9.485 -4.319 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.233 11.947 -4.645 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.903 11.176 -6.184 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.604 11.966 -6.200 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.680 12.444 -4.516 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.092 14.527 -5.470 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.745 13.948 -5.413 1.00 0.00 H new ATOM 0 HE2 LYS A 11 12.056 12.857 -7.809 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.902 14.176 -7.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.060 14.904 -8.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.712 15.721 -7.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.830 14.443 -7.241 1.00 0.00 H new ATOM 190 N THR A 12 10.448 9.764 -2.675 1.00 0.00 N ATOM 191 CA THR A 12 9.829 10.037 -1.343 1.00 0.00 C ATOM 192 C THR A 12 9.569 8.724 -0.601 1.00 0.00 C ATOM 193 O THR A 12 9.116 7.759 -1.178 1.00 0.00 O ATOM 194 CB THR A 12 8.511 10.748 -1.654 1.00 0.00 C ATOM 195 OG1 THR A 12 7.850 10.081 -2.723 1.00 0.00 O ATOM 196 CG2 THR A 12 8.796 12.199 -2.046 1.00 0.00 C ATOM 0 H THR A 12 10.045 8.978 -3.184 1.00 0.00 H new ATOM 0 HA THR A 12 10.475 10.640 -0.705 1.00 0.00 H new ATOM 0 HB THR A 12 7.871 10.732 -0.772 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.887 9.113 -2.577 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.857 12.707 -2.268 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.297 12.707 -1.222 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.436 12.219 -2.928 1.00 0.00 H new ATOM 204 N LEU A 13 9.849 8.694 0.683 1.00 0.00 N ATOM 205 CA LEU A 13 9.629 7.454 1.508 1.00 0.00 C ATOM 206 C LEU A 13 10.475 6.286 0.983 1.00 0.00 C ATOM 207 O LEU A 13 11.492 5.945 1.555 1.00 0.00 O ATOM 208 CB LEU A 13 8.128 7.125 1.411 1.00 0.00 C ATOM 209 CG LEU A 13 7.413 7.592 2.683 1.00 0.00 C ATOM 210 CD1 LEU A 13 5.906 7.353 2.540 1.00 0.00 C ATOM 211 CD2 LEU A 13 7.942 6.805 3.887 1.00 0.00 C ATOM 0 H LEU A 13 10.226 9.486 1.203 1.00 0.00 H new ATOM 0 HA LEU A 13 9.930 7.618 2.543 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.695 7.614 0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.989 6.052 1.277 1.00 0.00 H new ATOM 0 HG LEU A 13 7.600 8.655 2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.397 7.685 3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.528 7.914 1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.719 6.290 2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.433 7.138 4.791 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.756 5.742 3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.014 6.975 3.990 1.00 0.00 H new ATOM 223 N LYS A 14 10.058 5.666 -0.095 1.00 0.00 N ATOM 224 CA LYS A 14 10.825 4.511 -0.669 1.00 0.00 C ATOM 225 C LYS A 14 11.055 3.430 0.394 1.00 0.00 C ATOM 226 O LYS A 14 12.016 3.471 1.139 1.00 0.00 O ATOM 227 CB LYS A 14 12.159 5.093 -1.147 1.00 0.00 C ATOM 228 CG LYS A 14 11.919 5.981 -2.370 1.00 0.00 C ATOM 229 CD LYS A 14 13.194 6.046 -3.214 1.00 0.00 C ATOM 230 CE LYS A 14 13.389 4.718 -3.948 1.00 0.00 C ATOM 231 NZ LYS A 14 14.034 5.082 -5.239 1.00 0.00 N ATOM 0 H LYS A 14 9.211 5.912 -0.608 1.00 0.00 H new ATOM 0 HA LYS A 14 10.280 4.036 -1.485 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.622 5.673 -0.349 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.850 4.288 -1.398 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.097 5.584 -2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.629 6.983 -2.054 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.126 6.864 -3.932 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.054 6.251 -2.577 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.016 4.037 -3.372 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.437 4.214 -4.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.154 4.228 -5.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.435 5.765 -5.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.965 5.508 -5.054 1.00 0.00 H new ATOM 245 N GLY A 15 10.173 2.466 0.464 1.00 0.00 N ATOM 246 CA GLY A 15 10.320 1.372 1.469 1.00 0.00 C ATOM 247 C GLY A 15 9.247 0.312 1.219 1.00 0.00 C ATOM 248 O GLY A 15 8.496 0.398 0.268 1.00 0.00 O ATOM 0 H GLY A 15 9.352 2.390 -0.136 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.312 0.926 1.397 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.224 1.773 2.478 1.00 0.00 H new ATOM 252 N GLU A 16 9.172 -0.687 2.065 1.00 0.00 N ATOM 253 CA GLU A 16 8.149 -1.764 1.884 1.00 0.00 C ATOM 254 C GLU A 16 7.057 -1.647 2.952 1.00 0.00 C ATOM 255 O GLU A 16 5.889 -1.510 2.645 1.00 0.00 O ATOM 256 CB GLU A 16 8.921 -3.073 2.053 1.00 0.00 C ATOM 257 CG GLU A 16 9.525 -3.484 0.708 1.00 0.00 C ATOM 258 CD GLU A 16 10.598 -2.474 0.299 1.00 0.00 C ATOM 259 OE1 GLU A 16 11.546 -2.309 1.050 1.00 0.00 O ATOM 260 OE2 GLU A 16 10.454 -1.882 -0.757 1.00 0.00 O ATOM 0 H GLU A 16 9.779 -0.803 2.877 1.00 0.00 H new ATOM 0 HA GLU A 16 7.653 -1.701 0.915 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.709 -2.950 2.796 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.257 -3.855 2.420 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.959 -4.481 0.782 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.746 -3.531 -0.053 1.00 0.00 H new ATOM 267 N ILE A 17 7.431 -1.700 4.209 1.00 0.00 N ATOM 268 CA ILE A 17 6.424 -1.594 5.317 1.00 0.00 C ATOM 269 C ILE A 17 5.305 -2.630 5.130 1.00 0.00 C ATOM 270 O ILE A 17 4.190 -2.294 4.778 1.00 0.00 O ATOM 271 CB ILE A 17 5.864 -0.166 5.229 1.00 0.00 C ATOM 272 CG1 ILE A 17 7.007 0.853 5.379 1.00 0.00 C ATOM 273 CG2 ILE A 17 4.828 0.056 6.336 1.00 0.00 C ATOM 274 CD1 ILE A 17 7.700 0.683 6.738 1.00 0.00 C ATOM 0 H ILE A 17 8.396 -1.813 4.518 1.00 0.00 H new ATOM 0 HA ILE A 17 6.872 -1.790 6.291 1.00 0.00 H new ATOM 0 HB ILE A 17 5.387 -0.031 4.258 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.731 0.718 4.575 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.614 1.866 5.288 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.435 1.070 6.268 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.013 -0.658 6.220 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.299 -0.086 7.309 1.00 0.00 H new ATOM 0 HD11 ILE A 17 8.506 1.411 6.829 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.976 0.841 7.538 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.110 -0.324 6.814 1.00 0.00 H new ATOM 286 N THR A 18 5.601 -3.883 5.367 1.00 0.00 N ATOM 287 CA THR A 18 4.562 -4.946 5.207 1.00 0.00 C ATOM 288 C THR A 18 3.502 -4.815 6.303 1.00 0.00 C ATOM 289 O THR A 18 3.818 -4.588 7.456 1.00 0.00 O ATOM 290 CB THR A 18 5.314 -6.272 5.348 1.00 0.00 C ATOM 291 OG1 THR A 18 5.953 -6.318 6.616 1.00 0.00 O ATOM 292 CG2 THR A 18 6.363 -6.388 4.241 1.00 0.00 C ATOM 0 H THR A 18 6.518 -4.216 5.665 1.00 0.00 H new ATOM 0 HA THR A 18 4.046 -4.873 4.250 1.00 0.00 H new ATOM 0 HB THR A 18 4.610 -7.100 5.264 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.450 -5.771 7.256 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.897 -7.333 4.343 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.871 -6.353 3.269 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.069 -5.562 4.321 1.00 0.00 H new ATOM 300 N ILE A 19 2.248 -4.958 5.951 1.00 0.00 N ATOM 301 CA ILE A 19 1.164 -4.845 6.976 1.00 0.00 C ATOM 302 C ILE A 19 0.014 -5.803 6.651 1.00 0.00 C ATOM 303 O ILE A 19 -0.279 -6.070 5.500 1.00 0.00 O ATOM 304 CB ILE A 19 0.691 -3.387 6.912 1.00 0.00 C ATOM 305 CG1 ILE A 19 0.166 -3.067 5.504 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.861 -2.456 7.244 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.362 -3.185 5.484 1.00 0.00 C ATOM 0 H ILE A 19 1.929 -5.148 5.001 1.00 0.00 H new ATOM 0 HA ILE A 19 1.519 -5.110 7.972 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.111 -3.240 7.635 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.467 -2.060 5.213 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.603 -3.752 4.778 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.526 -1.420 7.199 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.227 -2.675 8.247 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.664 -2.609 6.523 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.731 -2.957 4.484 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.652 -4.200 5.756 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.791 -2.482 6.198 1.00 0.00 H new ATOM 319 N GLU A 20 -0.641 -6.315 7.662 1.00 0.00 N ATOM 320 CA GLU A 20 -1.782 -7.252 7.426 1.00 0.00 C ATOM 321 C GLU A 20 -3.101 -6.475 7.411 1.00 0.00 C ATOM 322 O GLU A 20 -3.174 -5.356 7.884 1.00 0.00 O ATOM 323 CB GLU A 20 -1.743 -8.242 8.599 1.00 0.00 C ATOM 324 CG GLU A 20 -1.904 -7.497 9.935 1.00 0.00 C ATOM 325 CD GLU A 20 -0.717 -7.809 10.852 1.00 0.00 C ATOM 326 OE1 GLU A 20 0.379 -7.375 10.538 1.00 0.00 O ATOM 327 OE2 GLU A 20 -0.926 -8.476 11.852 1.00 0.00 O ATOM 0 H GLU A 20 -0.435 -6.124 8.643 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.705 -7.766 6.468 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.539 -8.979 8.488 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.800 -8.788 8.591 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.965 -6.423 9.758 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.835 -7.794 10.417 1.00 0.00 H new ATOM 334 N ALA A 21 -4.141 -7.059 6.871 1.00 0.00 N ATOM 335 CA ALA A 21 -5.459 -6.358 6.822 1.00 0.00 C ATOM 336 C ALA A 21 -6.557 -7.333 6.393 1.00 0.00 C ATOM 337 O ALA A 21 -6.286 -8.449 5.992 1.00 0.00 O ATOM 338 CB ALA A 21 -5.283 -5.250 5.777 1.00 0.00 C ATOM 0 H ALA A 21 -4.133 -7.993 6.461 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.751 -5.957 7.793 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.212 -4.688 5.683 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.483 -4.579 6.089 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.029 -5.694 4.815 1.00 0.00 H new ATOM 344 N VAL A 22 -7.796 -6.917 6.473 1.00 0.00 N ATOM 345 CA VAL A 22 -8.930 -7.809 6.071 1.00 0.00 C ATOM 346 C VAL A 22 -8.707 -8.352 4.650 1.00 0.00 C ATOM 347 O VAL A 22 -8.983 -9.502 4.361 1.00 0.00 O ATOM 348 CB VAL A 22 -10.180 -6.918 6.129 1.00 0.00 C ATOM 349 CG1 VAL A 22 -10.025 -5.732 5.170 1.00 0.00 C ATOM 350 CG2 VAL A 22 -11.415 -7.734 5.734 1.00 0.00 C ATOM 0 H VAL A 22 -8.074 -5.992 6.801 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.023 -8.677 6.723 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.300 -6.544 7.146 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.916 -5.106 5.218 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.153 -5.144 5.456 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.896 -6.101 4.153 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.300 -7.099 5.776 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.290 -8.115 4.721 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.535 -8.569 6.424 1.00 0.00 H new ATOM 360 N ASP A 23 -8.199 -7.527 3.775 1.00 0.00 N ATOM 361 CA ASP A 23 -7.936 -7.966 2.373 1.00 0.00 C ATOM 362 C ASP A 23 -6.934 -7.009 1.730 1.00 0.00 C ATOM 363 O ASP A 23 -6.421 -6.117 2.384 1.00 0.00 O ATOM 364 CB ASP A 23 -9.294 -7.901 1.659 1.00 0.00 C ATOM 365 CG ASP A 23 -9.883 -6.482 1.738 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.211 -5.594 2.238 1.00 0.00 O ATOM 367 OD2 ASP A 23 -11.006 -6.310 1.292 1.00 0.00 O ATOM 0 H ASP A 23 -7.952 -6.557 3.973 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.514 -8.970 2.317 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.176 -8.194 0.616 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.984 -8.612 2.113 1.00 0.00 H new ATOM 372 N ALA A 24 -6.649 -7.174 0.464 1.00 0.00 N ATOM 373 CA ALA A 24 -5.679 -6.254 -0.198 1.00 0.00 C ATOM 374 C ALA A 24 -6.310 -4.869 -0.345 1.00 0.00 C ATOM 375 O ALA A 24 -5.634 -3.860 -0.299 1.00 0.00 O ATOM 376 CB ALA A 24 -5.390 -6.867 -1.568 1.00 0.00 C ATOM 0 H ALA A 24 -7.043 -7.900 -0.135 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.761 -6.136 0.378 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.682 -6.237 -2.106 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.965 -7.862 -1.439 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.317 -6.939 -2.137 1.00 0.00 H new ATOM 382 N ALA A 25 -7.610 -4.818 -0.508 1.00 0.00 N ATOM 383 CA ALA A 25 -8.306 -3.504 -0.649 1.00 0.00 C ATOM 384 C ALA A 25 -7.994 -2.616 0.559 1.00 0.00 C ATOM 385 O ALA A 25 -7.612 -1.471 0.416 1.00 0.00 O ATOM 386 CB ALA A 25 -9.799 -3.837 -0.695 1.00 0.00 C ATOM 0 H ALA A 25 -8.220 -5.634 -0.549 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.987 -2.964 -1.540 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.374 -2.917 -0.798 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.001 -4.488 -1.546 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.087 -4.344 0.226 1.00 0.00 H new ATOM 392 N GLU A 26 -8.143 -3.148 1.745 1.00 0.00 N ATOM 393 CA GLU A 26 -7.843 -2.350 2.972 1.00 0.00 C ATOM 394 C GLU A 26 -6.360 -1.978 2.986 1.00 0.00 C ATOM 395 O GLU A 26 -5.997 -0.853 3.273 1.00 0.00 O ATOM 396 CB GLU A 26 -8.184 -3.271 4.148 1.00 0.00 C ATOM 397 CG GLU A 26 -7.925 -2.545 5.477 1.00 0.00 C ATOM 398 CD GLU A 26 -9.188 -2.574 6.343 1.00 0.00 C ATOM 399 OE1 GLU A 26 -10.235 -2.200 5.840 1.00 0.00 O ATOM 400 OE2 GLU A 26 -9.087 -2.970 7.491 1.00 0.00 O ATOM 0 H GLU A 26 -8.460 -4.102 1.917 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.412 -1.421 3.018 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.228 -3.578 4.089 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.582 -4.178 4.096 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.100 -3.021 6.006 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.628 -1.514 5.286 1.00 0.00 H new ATOM 407 N ALA A 27 -5.496 -2.913 2.660 1.00 0.00 N ATOM 408 CA ALA A 27 -4.027 -2.615 2.632 1.00 0.00 C ATOM 409 C ALA A 27 -3.764 -1.392 1.750 1.00 0.00 C ATOM 410 O ALA A 27 -3.027 -0.496 2.117 1.00 0.00 O ATOM 411 CB ALA A 27 -3.366 -3.856 2.026 1.00 0.00 C ATOM 0 H ALA A 27 -5.746 -3.870 2.412 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.635 -2.396 3.625 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.288 -3.706 1.976 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.583 -4.724 2.648 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.756 -4.022 1.022 1.00 0.00 H new ATOM 417 N GLU A 28 -4.382 -1.344 0.592 1.00 0.00 N ATOM 418 CA GLU A 28 -4.190 -0.172 -0.315 1.00 0.00 C ATOM 419 C GLU A 28 -4.626 1.106 0.408 1.00 0.00 C ATOM 420 O GLU A 28 -4.015 2.141 0.261 1.00 0.00 O ATOM 421 CB GLU A 28 -5.077 -0.439 -1.534 1.00 0.00 C ATOM 422 CG GLU A 28 -4.445 0.199 -2.778 1.00 0.00 C ATOM 423 CD GLU A 28 -5.543 0.556 -3.783 1.00 0.00 C ATOM 424 OE1 GLU A 28 -6.521 -0.171 -3.847 1.00 0.00 O ATOM 425 OE2 GLU A 28 -5.385 1.549 -4.474 1.00 0.00 O ATOM 0 H GLU A 28 -5.010 -2.066 0.239 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.149 -0.042 -0.612 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.195 -1.512 -1.683 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.073 -0.029 -1.369 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.889 1.094 -2.498 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.733 -0.490 -3.231 1.00 0.00 H new ATOM 432 N LYS A 29 -5.660 1.027 1.213 1.00 0.00 N ATOM 433 CA LYS A 29 -6.112 2.234 1.972 1.00 0.00 C ATOM 434 C LYS A 29 -5.043 2.592 3.005 1.00 0.00 C ATOM 435 O LYS A 29 -4.526 3.696 3.033 1.00 0.00 O ATOM 436 CB LYS A 29 -7.413 1.827 2.674 1.00 0.00 C ATOM 437 CG LYS A 29 -8.450 1.380 1.639 1.00 0.00 C ATOM 438 CD LYS A 29 -8.904 2.581 0.808 1.00 0.00 C ATOM 439 CE LYS A 29 -9.627 3.586 1.707 1.00 0.00 C ATOM 440 NZ LYS A 29 -10.367 4.476 0.770 1.00 0.00 N ATOM 0 H LYS A 29 -6.207 0.182 1.376 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.270 3.098 1.327 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.218 1.018 3.378 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.802 2.666 3.252 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.022 0.617 0.989 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.306 0.928 2.140 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.044 3.055 0.335 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.567 2.252 0.007 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.307 3.083 2.394 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.921 4.152 2.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.889 5.194 1.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.693 4.946 0.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.036 3.911 0.210 1.00 0.00 H new ATOM 454 N ILE A 30 -4.686 1.643 3.840 1.00 0.00 N ATOM 455 CA ILE A 30 -3.627 1.892 4.870 1.00 0.00 C ATOM 456 C ILE A 30 -2.356 2.380 4.170 1.00 0.00 C ATOM 457 O ILE A 30 -1.686 3.285 4.630 1.00 0.00 O ATOM 458 CB ILE A 30 -3.394 0.529 5.543 1.00 0.00 C ATOM 459 CG1 ILE A 30 -4.669 0.101 6.274 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.242 0.632 6.551 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.644 -1.415 6.503 1.00 0.00 C ATOM 0 H ILE A 30 -5.084 0.704 3.852 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.911 2.650 5.600 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.139 -0.208 4.781 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.746 0.622 7.228 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.546 0.376 5.689 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.084 -0.338 7.023 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.332 0.937 6.034 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.491 1.370 7.313 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.552 -1.719 7.024 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.587 -1.927 5.542 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.775 -1.678 7.106 1.00 0.00 H new ATOM 473 N PHE A 31 -2.045 1.793 3.045 1.00 0.00 N ATOM 474 CA PHE A 31 -0.841 2.221 2.281 1.00 0.00 C ATOM 475 C PHE A 31 -1.111 3.586 1.647 1.00 0.00 C ATOM 476 O PHE A 31 -0.228 4.415 1.531 1.00 0.00 O ATOM 477 CB PHE A 31 -0.644 1.149 1.203 1.00 0.00 C ATOM 478 CG PHE A 31 0.058 -0.053 1.793 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.227 0.109 2.548 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.462 -1.334 1.578 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.874 -1.009 3.086 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.185 -2.453 2.116 1.00 0.00 C ATOM 483 CZ PHE A 31 1.354 -2.289 2.871 1.00 0.00 C ATOM 0 H PHE A 31 -2.577 1.032 2.622 1.00 0.00 H new ATOM 0 HA PHE A 31 0.046 2.318 2.907 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.609 0.852 0.793 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.058 1.554 0.378 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.629 1.097 2.715 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.363 -1.460 0.996 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.775 -0.883 3.668 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.217 -3.442 1.949 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.853 -3.152 3.287 1.00 0.00 H new ATOM 493 N LYS A 32 -2.336 3.822 1.240 1.00 0.00 N ATOM 494 CA LYS A 32 -2.689 5.128 0.618 1.00 0.00 C ATOM 495 C LYS A 32 -2.873 6.220 1.680 1.00 0.00 C ATOM 496 O LYS A 32 -3.131 7.364 1.351 1.00 0.00 O ATOM 497 CB LYS A 32 -3.994 4.891 -0.135 1.00 0.00 C ATOM 498 CG LYS A 32 -3.690 4.214 -1.472 1.00 0.00 C ATOM 499 CD LYS A 32 -4.989 3.692 -2.087 1.00 0.00 C ATOM 500 CE LYS A 32 -5.818 4.871 -2.602 1.00 0.00 C ATOM 501 NZ LYS A 32 -5.319 5.118 -3.984 1.00 0.00 N ATOM 0 H LYS A 32 -3.107 3.159 1.315 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.895 5.473 -0.044 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.661 4.266 0.459 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.508 5.838 -0.302 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.213 4.922 -2.150 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.989 3.392 -1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.767 3.005 -2.904 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.556 3.131 -1.344 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.882 4.635 -2.603 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.687 5.751 -1.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.483 6.113 -4.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.300 4.912 -4.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.825 4.501 -4.651 1.00 0.00 H new ATOM 515 N GLN A 33 -2.683 5.901 2.939 1.00 0.00 N ATOM 516 CA GLN A 33 -2.782 6.952 3.999 1.00 0.00 C ATOM 517 C GLN A 33 -1.342 7.240 4.375 1.00 0.00 C ATOM 518 O GLN A 33 -0.879 8.363 4.418 1.00 0.00 O ATOM 519 CB GLN A 33 -3.546 6.309 5.158 1.00 0.00 C ATOM 520 CG GLN A 33 -5.018 6.148 4.771 1.00 0.00 C ATOM 521 CD GLN A 33 -5.709 5.204 5.758 1.00 0.00 C ATOM 522 OE1 GLN A 33 -5.266 5.048 6.880 1.00 0.00 O ATOM 523 NE2 GLN A 33 -6.784 4.564 5.388 1.00 0.00 N ATOM 0 H GLN A 33 -2.465 4.963 3.276 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.291 7.871 3.706 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.114 5.338 5.398 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.459 6.927 6.052 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.513 7.119 4.774 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.097 5.753 3.758 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -7.157 4.694 4.447 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.252 3.934 6.039 1.00 0.00 H new ATOM 532 N TYR A 34 -0.624 6.170 4.556 1.00 0.00 N ATOM 533 CA TYR A 34 0.835 6.209 4.837 1.00 0.00 C ATOM 534 C TYR A 34 1.532 7.159 3.852 1.00 0.00 C ATOM 535 O TYR A 34 2.266 8.053 4.227 1.00 0.00 O ATOM 536 CB TYR A 34 1.245 4.769 4.527 1.00 0.00 C ATOM 537 CG TYR A 34 2.418 4.367 5.385 1.00 0.00 C ATOM 538 CD1 TYR A 34 3.719 4.617 4.936 1.00 0.00 C ATOM 539 CD2 TYR A 34 2.208 3.745 6.621 1.00 0.00 C ATOM 540 CE1 TYR A 34 4.815 4.246 5.725 1.00 0.00 C ATOM 541 CE2 TYR A 34 3.304 3.374 7.411 1.00 0.00 C ATOM 542 CZ TYR A 34 4.608 3.625 6.963 1.00 0.00 C ATOM 543 OH TYR A 34 5.687 3.259 7.740 1.00 0.00 O ATOM 0 H TYR A 34 -1.009 5.226 4.518 1.00 0.00 H new ATOM 0 HA TYR A 34 1.087 6.549 5.841 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.406 4.097 4.707 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.507 4.676 3.473 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.878 5.096 3.981 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.203 3.551 6.965 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.820 4.439 5.379 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.144 2.894 8.365 1.00 0.00 H new ATOM 0 HH TYR A 34 5.368 2.842 8.567 1.00 0.00 H new ATOM 553 N ALA A 35 1.284 6.947 2.587 1.00 0.00 N ATOM 554 CA ALA A 35 1.894 7.799 1.525 1.00 0.00 C ATOM 555 C ALA A 35 1.333 9.223 1.586 1.00 0.00 C ATOM 556 O ALA A 35 2.070 10.190 1.591 1.00 0.00 O ATOM 557 CB ALA A 35 1.489 7.130 0.209 1.00 0.00 C ATOM 0 H ALA A 35 0.674 6.207 2.239 1.00 0.00 H new ATOM 0 HA ALA A 35 2.975 7.881 1.637 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.899 7.696 -0.628 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.878 6.112 0.184 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.402 7.105 0.133 1.00 0.00 H new ATOM 563 N ASN A 36 0.030 9.354 1.625 1.00 0.00 N ATOM 564 CA ASN A 36 -0.598 10.714 1.676 1.00 0.00 C ATOM 565 C ASN A 36 -0.069 11.516 2.870 1.00 0.00 C ATOM 566 O ASN A 36 0.343 12.652 2.729 1.00 0.00 O ATOM 567 CB ASN A 36 -2.096 10.458 1.833 1.00 0.00 C ATOM 568 CG ASN A 36 -2.737 10.308 0.452 1.00 0.00 C ATOM 569 OD1 ASN A 36 -3.732 10.943 0.160 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.209 9.489 -0.418 1.00 0.00 N ATOM 0 H ASN A 36 -0.629 8.576 1.624 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.370 11.295 0.783 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.262 9.556 2.422 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.562 11.282 2.374 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.631 9.383 -1.340 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.374 8.955 -0.175 1.00 0.00 H new ATOM 577 N ASP A 37 -0.083 10.932 4.041 1.00 0.00 N ATOM 578 CA ASP A 37 0.415 11.657 5.254 1.00 0.00 C ATOM 579 C ASP A 37 1.862 12.125 5.062 1.00 0.00 C ATOM 580 O ASP A 37 2.323 13.032 5.729 1.00 0.00 O ATOM 581 CB ASP A 37 0.330 10.641 6.396 1.00 0.00 C ATOM 582 CG ASP A 37 0.135 11.378 7.723 1.00 0.00 C ATOM 583 OD1 ASP A 37 -0.765 12.198 7.795 1.00 0.00 O ATOM 584 OD2 ASP A 37 0.888 11.107 8.643 1.00 0.00 O ATOM 0 H ASP A 37 -0.418 9.984 4.212 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.175 12.551 5.454 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.499 9.954 6.224 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.239 10.041 6.431 1.00 0.00 H new ATOM 589 N ASN A 38 2.576 11.509 4.160 1.00 0.00 N ATOM 590 CA ASN A 38 3.987 11.900 3.915 1.00 0.00 C ATOM 591 C ASN A 38 4.099 12.741 2.639 1.00 0.00 C ATOM 592 O ASN A 38 4.991 13.558 2.503 1.00 0.00 O ATOM 593 CB ASN A 38 4.743 10.580 3.761 1.00 0.00 C ATOM 594 CG ASN A 38 5.353 10.179 5.105 1.00 0.00 C ATOM 595 OD1 ASN A 38 6.178 10.888 5.647 1.00 0.00 O ATOM 596 ND2 ASN A 38 4.980 9.064 5.672 1.00 0.00 N ATOM 0 H ASN A 38 2.235 10.744 3.578 1.00 0.00 H new ATOM 0 HA ASN A 38 4.390 12.509 4.724 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.067 9.801 3.410 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.527 10.683 3.011 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.381 8.789 6.569 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.288 8.468 5.218 1.00 0.00 H new ATOM 603 N GLY A 39 3.203 12.545 1.706 1.00 0.00 N ATOM 604 CA GLY A 39 3.252 13.328 0.435 1.00 0.00 C ATOM 605 C GLY A 39 3.639 12.404 -0.722 1.00 0.00 C ATOM 606 O GLY A 39 4.239 12.827 -1.692 1.00 0.00 O ATOM 0 H GLY A 39 2.437 11.874 1.770 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.282 13.785 0.240 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.975 14.139 0.523 1.00 0.00 H new ATOM 610 N ILE A 40 3.298 11.145 -0.624 1.00 0.00 N ATOM 611 CA ILE A 40 3.635 10.178 -1.708 1.00 0.00 C ATOM 612 C ILE A 40 2.430 10.048 -2.644 1.00 0.00 C ATOM 613 O ILE A 40 1.425 9.450 -2.308 1.00 0.00 O ATOM 614 CB ILE A 40 3.968 8.879 -0.939 1.00 0.00 C ATOM 615 CG1 ILE A 40 5.443 8.903 -0.548 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.701 7.609 -1.757 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.667 10.020 0.464 1.00 0.00 C ATOM 0 H ILE A 40 2.796 10.743 0.168 1.00 0.00 H new ATOM 0 HA ILE A 40 4.468 10.467 -2.349 1.00 0.00 H new ATOM 0 HB ILE A 40 3.317 8.847 -0.065 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.736 7.944 -0.121 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.064 9.063 -1.429 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.955 6.732 -1.161 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.647 7.568 -2.032 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.311 7.623 -2.660 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.718 10.046 0.750 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.388 10.975 0.019 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.055 9.839 1.347 1.00 0.00 H new ATOM 629 N ASP A 41 2.527 10.627 -3.808 1.00 0.00 N ATOM 630 CA ASP A 41 1.392 10.565 -4.777 1.00 0.00 C ATOM 631 C ASP A 41 1.903 10.401 -6.212 1.00 0.00 C ATOM 632 O ASP A 41 2.548 11.276 -6.758 1.00 0.00 O ATOM 633 CB ASP A 41 0.666 11.902 -4.616 1.00 0.00 C ATOM 634 CG ASP A 41 -0.152 11.885 -3.324 1.00 0.00 C ATOM 635 OD1 ASP A 41 -0.693 10.840 -3.002 1.00 0.00 O ATOM 636 OD2 ASP A 41 -0.224 12.918 -2.678 1.00 0.00 O ATOM 0 H ASP A 41 3.345 11.143 -4.133 1.00 0.00 H new ATOM 0 HA ASP A 41 0.740 9.713 -4.585 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.387 12.719 -4.592 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.013 12.079 -5.470 1.00 0.00 H new ATOM 641 N GLY A 42 1.604 9.284 -6.825 1.00 0.00 N ATOM 642 CA GLY A 42 2.048 9.041 -8.229 1.00 0.00 C ATOM 643 C GLY A 42 1.187 7.932 -8.837 1.00 0.00 C ATOM 644 O GLY A 42 0.063 8.162 -9.243 1.00 0.00 O ATOM 0 H GLY A 42 1.066 8.524 -6.408 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.956 9.954 -8.817 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.100 8.755 -8.247 1.00 0.00 H new ATOM 648 N GLU A 43 1.702 6.729 -8.893 1.00 0.00 N ATOM 649 CA GLU A 43 0.908 5.596 -9.467 1.00 0.00 C ATOM 650 C GLU A 43 0.618 4.554 -8.380 1.00 0.00 C ATOM 651 O GLU A 43 1.150 4.627 -7.295 1.00 0.00 O ATOM 652 CB GLU A 43 1.792 5.001 -10.563 1.00 0.00 C ATOM 653 CG GLU A 43 0.925 4.601 -11.760 1.00 0.00 C ATOM 654 CD GLU A 43 1.788 3.885 -12.800 1.00 0.00 C ATOM 655 OE1 GLU A 43 2.015 2.698 -12.637 1.00 0.00 O ATOM 656 OE2 GLU A 43 2.208 4.537 -13.741 1.00 0.00 O ATOM 0 H GLU A 43 2.636 6.481 -8.567 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.055 5.923 -9.860 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.544 5.727 -10.872 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.327 4.131 -10.181 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.115 3.949 -11.434 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.465 5.485 -12.201 1.00 0.00 H new ATOM 663 N TRP A 44 -0.222 3.591 -8.667 1.00 0.00 N ATOM 664 CA TRP A 44 -0.559 2.533 -7.657 1.00 0.00 C ATOM 665 C TRP A 44 -0.957 1.243 -8.369 1.00 0.00 C ATOM 666 O TRP A 44 -1.883 1.226 -9.160 1.00 0.00 O ATOM 667 CB TRP A 44 -1.763 3.079 -6.887 1.00 0.00 C ATOM 668 CG TRP A 44 -1.307 3.953 -5.770 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.065 5.282 -5.855 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.047 3.575 -4.395 1.00 0.00 C ATOM 671 NE1 TRP A 44 -0.667 5.741 -4.613 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.640 4.725 -3.679 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.124 2.352 -3.710 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.319 4.664 -2.325 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.801 2.287 -2.346 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.399 3.442 -1.655 1.00 0.00 C ATOM 0 H TRP A 44 -0.694 3.489 -9.565 1.00 0.00 H new ATOM 0 HA TRP A 44 0.285 2.311 -7.005 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.408 3.644 -7.560 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.357 2.254 -6.494 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.166 5.884 -6.746 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.423 6.711 -4.412 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.432 1.459 -4.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.011 5.555 -1.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.862 1.343 -1.824 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.152 3.385 -0.605 1.00 0.00 H new ATOM 687 N THR A 45 -0.279 0.165 -8.088 1.00 0.00 N ATOM 688 CA THR A 45 -0.630 -1.130 -8.743 1.00 0.00 C ATOM 689 C THR A 45 -0.569 -2.251 -7.719 1.00 0.00 C ATOM 690 O THR A 45 0.415 -2.413 -7.024 1.00 0.00 O ATOM 691 CB THR A 45 0.413 -1.371 -9.838 1.00 0.00 C ATOM 692 OG1 THR A 45 1.656 -1.706 -9.240 1.00 0.00 O ATOM 693 CG2 THR A 45 0.578 -0.119 -10.700 1.00 0.00 C ATOM 0 H THR A 45 0.503 0.123 -7.434 1.00 0.00 H new ATOM 0 HA THR A 45 -1.636 -1.101 -9.161 1.00 0.00 H new ATOM 0 HB THR A 45 0.078 -2.191 -10.473 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.551 -1.742 -8.266 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.323 -0.306 -11.474 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.375 0.130 -11.166 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.905 0.712 -10.075 1.00 0.00 H new ATOM 701 N TYR A 46 -1.609 -3.027 -7.630 1.00 0.00 N ATOM 702 CA TYR A 46 -1.623 -4.152 -6.655 1.00 0.00 C ATOM 703 C TYR A 46 -1.161 -5.440 -7.347 1.00 0.00 C ATOM 704 O TYR A 46 -1.505 -5.704 -8.483 1.00 0.00 O ATOM 705 CB TYR A 46 -3.086 -4.269 -6.189 1.00 0.00 C ATOM 706 CG TYR A 46 -3.272 -5.545 -5.389 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.449 -5.806 -4.288 1.00 0.00 C ATOM 708 CD2 TYR A 46 -4.252 -6.472 -5.765 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.606 -6.992 -3.561 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.410 -7.657 -5.036 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.587 -7.916 -3.936 1.00 0.00 C ATOM 712 OH TYR A 46 -3.745 -9.084 -3.220 1.00 0.00 O ATOM 0 H TYR A 46 -2.455 -2.931 -8.192 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.952 -3.984 -5.812 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.353 -3.405 -5.580 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.753 -4.269 -7.051 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.692 -5.092 -3.999 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.886 -6.273 -6.617 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.970 -7.193 -2.711 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.168 -8.371 -5.324 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.056 -9.795 -3.818 1.00 0.00 H new ATOM 722 N ASP A 47 -0.408 -6.247 -6.651 1.00 0.00 N ATOM 723 CA ASP A 47 0.058 -7.533 -7.238 1.00 0.00 C ATOM 724 C ASP A 47 -0.623 -8.687 -6.502 1.00 0.00 C ATOM 725 O ASP A 47 -0.234 -9.050 -5.409 1.00 0.00 O ATOM 726 CB ASP A 47 1.570 -7.559 -7.015 1.00 0.00 C ATOM 727 CG ASP A 47 2.216 -8.522 -8.012 1.00 0.00 C ATOM 728 OD1 ASP A 47 2.545 -8.082 -9.102 1.00 0.00 O ATOM 729 OD2 ASP A 47 2.370 -9.682 -7.670 1.00 0.00 O ATOM 0 H ASP A 47 -0.095 -6.069 -5.697 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.181 -7.628 -8.297 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.984 -6.558 -7.139 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.793 -7.872 -5.995 1.00 0.00 H new ATOM 734 N ASP A 48 -1.647 -9.256 -7.091 1.00 0.00 N ATOM 735 CA ASP A 48 -2.377 -10.384 -6.427 1.00 0.00 C ATOM 736 C ASP A 48 -1.536 -11.671 -6.403 1.00 0.00 C ATOM 737 O ASP A 48 -1.951 -12.671 -5.847 1.00 0.00 O ATOM 738 CB ASP A 48 -3.643 -10.587 -7.263 1.00 0.00 C ATOM 739 CG ASP A 48 -4.593 -11.532 -6.527 1.00 0.00 C ATOM 740 OD1 ASP A 48 -4.775 -11.347 -5.335 1.00 0.00 O ATOM 741 OD2 ASP A 48 -5.124 -12.422 -7.168 1.00 0.00 O ATOM 0 H ASP A 48 -2.010 -8.988 -8.006 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.598 -10.152 -5.385 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.132 -9.629 -7.441 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.385 -11.000 -8.238 1.00 0.00 H new ATOM 746 N ALA A 49 -0.361 -11.655 -6.984 1.00 0.00 N ATOM 747 CA ALA A 49 0.502 -12.871 -6.976 1.00 0.00 C ATOM 748 C ALA A 49 1.360 -12.873 -5.712 1.00 0.00 C ATOM 749 O ALA A 49 1.727 -13.912 -5.198 1.00 0.00 O ATOM 750 CB ALA A 49 1.376 -12.750 -8.224 1.00 0.00 C ATOM 0 H ALA A 49 0.036 -10.848 -7.464 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.073 -13.797 -6.982 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.041 -13.611 -8.288 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.742 -12.715 -9.110 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.969 -11.837 -8.166 1.00 0.00 H new ATOM 756 N THR A 50 1.669 -11.706 -5.199 1.00 0.00 N ATOM 757 CA THR A 50 2.487 -11.618 -3.959 1.00 0.00 C ATOM 758 C THR A 50 1.897 -10.563 -3.019 1.00 0.00 C ATOM 759 O THR A 50 2.539 -10.133 -2.081 1.00 0.00 O ATOM 760 CB THR A 50 3.880 -11.198 -4.431 1.00 0.00 C ATOM 761 OG1 THR A 50 3.792 -9.959 -5.119 1.00 0.00 O ATOM 762 CG2 THR A 50 4.439 -12.267 -5.367 1.00 0.00 C ATOM 0 H THR A 50 1.386 -10.808 -5.592 1.00 0.00 H new ATOM 0 HA THR A 50 2.512 -12.559 -3.410 1.00 0.00 H new ATOM 0 HB THR A 50 4.541 -11.087 -3.571 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.364 -10.098 -5.989 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.432 -11.971 -5.706 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.505 -13.217 -4.836 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.780 -12.377 -6.228 1.00 0.00 H new ATOM 770 N LYS A 51 0.667 -10.147 -3.258 1.00 0.00 N ATOM 771 CA LYS A 51 0.017 -9.127 -2.385 1.00 0.00 C ATOM 772 C LYS A 51 0.937 -7.928 -2.143 1.00 0.00 C ATOM 773 O LYS A 51 1.082 -7.453 -1.032 1.00 0.00 O ATOM 774 CB LYS A 51 -0.291 -9.879 -1.099 1.00 0.00 C ATOM 775 CG LYS A 51 -1.572 -10.672 -1.329 1.00 0.00 C ATOM 776 CD LYS A 51 -1.271 -11.898 -2.184 1.00 0.00 C ATOM 777 CE LYS A 51 -2.166 -13.065 -1.750 1.00 0.00 C ATOM 778 NZ LYS A 51 -2.655 -13.668 -3.022 1.00 0.00 N ATOM 0 H LYS A 51 0.088 -10.479 -4.029 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.880 -8.702 -2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.531 -10.545 -0.838 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.414 -9.184 -0.268 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.998 -10.979 -0.374 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.315 -10.046 -1.823 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.440 -11.670 -3.236 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.222 -12.175 -2.083 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.609 -13.791 -1.157 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.995 -12.719 -1.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.804 -14.689 -2.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.553 -13.220 -3.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.950 -13.516 -3.772 1.00 0.00 H new ATOM 792 N THR A 52 1.554 -7.445 -3.188 1.00 0.00 N ATOM 793 CA THR A 52 2.473 -6.277 -3.049 1.00 0.00 C ATOM 794 C THR A 52 2.002 -5.113 -3.932 1.00 0.00 C ATOM 795 O THR A 52 1.901 -5.244 -5.137 1.00 0.00 O ATOM 796 CB THR A 52 3.829 -6.797 -3.523 1.00 0.00 C ATOM 797 OG1 THR A 52 4.139 -8.001 -2.835 1.00 0.00 O ATOM 798 CG2 THR A 52 4.907 -5.753 -3.238 1.00 0.00 C ATOM 0 H THR A 52 1.461 -7.810 -4.136 1.00 0.00 H new ATOM 0 HA THR A 52 2.509 -5.897 -2.028 1.00 0.00 H new ATOM 0 HB THR A 52 3.789 -6.990 -4.595 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.085 -8.756 -3.457 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.873 -6.126 -3.577 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.669 -4.830 -3.767 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.949 -5.557 -2.167 1.00 0.00 H new ATOM 806 N PHE A 53 1.721 -3.977 -3.340 1.00 0.00 N ATOM 807 CA PHE A 53 1.263 -2.800 -4.143 1.00 0.00 C ATOM 808 C PHE A 53 2.481 -2.031 -4.682 1.00 0.00 C ATOM 809 O PHE A 53 3.609 -2.321 -4.320 1.00 0.00 O ATOM 810 CB PHE A 53 0.460 -1.934 -3.165 1.00 0.00 C ATOM 811 CG PHE A 53 -0.839 -2.626 -2.812 1.00 0.00 C ATOM 812 CD1 PHE A 53 -0.863 -3.622 -1.824 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.025 -2.265 -3.465 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.070 -4.254 -1.494 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.228 -2.897 -3.134 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.251 -3.890 -2.149 1.00 0.00 C ATOM 0 H PHE A 53 1.789 -3.814 -2.335 1.00 0.00 H new ATOM 0 HA PHE A 53 0.662 -3.091 -5.005 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.043 -1.754 -2.262 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.254 -0.961 -3.611 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.049 -3.902 -1.317 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.010 -1.498 -4.225 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.088 -5.022 -0.734 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.141 -2.618 -3.640 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.181 -4.376 -1.894 1.00 0.00 H new ATOM 826 N THR A 54 2.270 -1.047 -5.531 1.00 0.00 N ATOM 827 CA THR A 54 3.418 -0.266 -6.075 1.00 0.00 C ATOM 828 C THR A 54 3.014 1.197 -6.125 1.00 0.00 C ATOM 829 O THR A 54 2.353 1.634 -7.047 1.00 0.00 O ATOM 830 CB THR A 54 3.662 -0.806 -7.488 1.00 0.00 C ATOM 831 OG1 THR A 54 3.400 -2.204 -7.520 1.00 0.00 O ATOM 832 CG2 THR A 54 5.116 -0.551 -7.887 1.00 0.00 C ATOM 0 H THR A 54 1.352 -0.756 -5.866 1.00 0.00 H new ATOM 0 HA THR A 54 4.319 -0.356 -5.468 1.00 0.00 H new ATOM 0 HB THR A 54 2.997 -0.299 -8.187 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.056 -2.452 -8.403 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.290 -0.935 -8.892 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.316 0.520 -7.868 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.780 -1.056 -7.186 1.00 0.00 H new ATOM 840 N VAL A 55 3.391 1.948 -5.132 1.00 0.00 N ATOM 841 CA VAL A 55 3.002 3.392 -5.105 1.00 0.00 C ATOM 842 C VAL A 55 4.144 4.271 -5.633 1.00 0.00 C ATOM 843 O VAL A 55 5.144 4.486 -4.981 1.00 0.00 O ATOM 844 CB VAL A 55 2.570 3.747 -3.638 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.331 2.938 -2.583 1.00 0.00 C ATOM 846 CG2 VAL A 55 2.772 5.247 -3.352 1.00 0.00 C ATOM 0 H VAL A 55 3.949 1.631 -4.339 1.00 0.00 H new ATOM 0 HA VAL A 55 2.158 3.585 -5.768 1.00 0.00 H new ATOM 0 HB VAL A 55 1.513 3.490 -3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.991 3.226 -1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.146 1.875 -2.736 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.399 3.137 -2.673 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.465 5.467 -2.329 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.824 5.503 -3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.170 5.834 -4.046 1.00 0.00 H new ATOM 856 N THR A 56 3.963 4.796 -6.814 1.00 0.00 N ATOM 857 CA THR A 56 4.986 5.687 -7.422 1.00 0.00 C ATOM 858 C THR A 56 4.645 7.141 -7.048 1.00 0.00 C ATOM 859 O THR A 56 3.586 7.416 -6.516 1.00 0.00 O ATOM 860 CB THR A 56 4.864 5.404 -8.938 1.00 0.00 C ATOM 861 OG1 THR A 56 5.716 4.319 -9.275 1.00 0.00 O ATOM 862 CG2 THR A 56 5.254 6.625 -9.784 1.00 0.00 C ATOM 0 H THR A 56 3.136 4.641 -7.390 1.00 0.00 H new ATOM 0 HA THR A 56 6.008 5.519 -7.083 1.00 0.00 H new ATOM 0 HB THR A 56 3.822 5.165 -9.152 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.644 4.132 -10.234 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.154 6.382 -10.842 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.598 7.461 -9.540 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.287 6.900 -9.571 1.00 0.00 H new ATOM 870 N GLU A 57 5.534 8.064 -7.320 1.00 0.00 N ATOM 871 CA GLU A 57 5.261 9.492 -6.980 1.00 0.00 C ATOM 872 C GLU A 57 5.624 10.398 -8.161 1.00 0.00 C ATOM 873 O GLU A 57 6.539 10.051 -8.888 1.00 0.00 O ATOM 874 CB GLU A 57 6.160 9.791 -5.779 1.00 0.00 C ATOM 875 CG GLU A 57 5.835 11.181 -5.230 1.00 0.00 C ATOM 876 CD GLU A 57 6.720 12.222 -5.916 1.00 0.00 C ATOM 877 OE1 GLU A 57 7.930 12.117 -5.792 1.00 0.00 O ATOM 878 OE2 GLU A 57 6.175 13.107 -6.553 1.00 0.00 O ATOM 879 OXT GLU A 57 4.979 11.421 -8.316 1.00 0.00 O ATOM 0 H GLU A 57 6.436 7.889 -7.763 1.00 0.00 H new ATOM 0 HA GLU A 57 4.209 9.669 -6.757 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.011 9.039 -5.004 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.208 9.741 -6.075 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.784 11.414 -5.400 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.997 11.205 -4.152 1.00 0.00 H new