USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 437 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 -94:sc= 1.11 USER MOD Set 1.2: A 52 THR OG1 : rot 66:sc= -1.32 USER MOD Set 2.1: A 45 THR OG1 : rot 180:sc= -0.514 USER MOD Set 2.2: A 54 THR OG1 : rot 134:sc= 0.44 USER MOD Set 3.1: A 9 ASN : amide:sc= -1.47 K(o=-3.8,f=0.6) USER MOD Set 3.2: A 56 THR OG1 : rot -130:sc= -2.29 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= 0 (180deg=-0.193) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0176 USER MOD Single : A 5 LYS NZ :NH3+ 159:sc= 0.692 (180deg=0.465) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 22:sc= 0.177 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0247 K(o=-0.025,f=-0.97) USER MOD Single : A 34 TYR OH : rot 180:sc= -4.2! USER MOD Single : A 36 ASN : amide:sc= 0.795 K(o=0.79,f=-0.47) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.335 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.388 -15.248 7.551 1.00 0.00 N ATOM 2 CA MET A 1 -2.071 -14.730 7.080 1.00 0.00 C ATOM 3 C MET A 1 -2.268 -13.776 5.898 1.00 0.00 C ATOM 4 O MET A 1 -2.059 -14.137 4.756 1.00 0.00 O ATOM 5 CB MET A 1 -1.292 -15.972 6.644 1.00 0.00 C ATOM 6 CG MET A 1 -0.949 -16.817 7.872 1.00 0.00 C ATOM 7 SD MET A 1 0.553 -17.773 7.548 1.00 0.00 S ATOM 8 CE MET A 1 0.121 -19.221 8.545 1.00 0.00 C ATOM 0 H1 MET A 1 -3.279 -15.665 8.497 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.073 -14.467 7.594 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.732 -15.974 6.890 1.00 0.00 H new ATOM 0 HA MET A 1 -1.546 -14.170 7.854 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.884 -16.557 5.941 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.379 -15.678 6.125 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.803 -16.174 8.740 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.776 -17.487 8.108 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.925 -19.955 8.488 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.022 -18.919 9.583 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.801 -19.662 8.165 1.00 0.00 H new ATOM 20 N THR A 2 -2.668 -12.559 6.171 1.00 0.00 N ATOM 21 CA THR A 2 -2.881 -11.572 5.071 1.00 0.00 C ATOM 22 C THR A 2 -1.981 -10.349 5.274 1.00 0.00 C ATOM 23 O THR A 2 -2.435 -9.295 5.681 1.00 0.00 O ATOM 24 CB THR A 2 -4.355 -11.177 5.170 1.00 0.00 C ATOM 25 OG1 THR A 2 -5.163 -12.342 5.084 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.706 -10.222 4.027 1.00 0.00 C ATOM 0 H THR A 2 -2.856 -12.207 7.110 1.00 0.00 H new ATOM 0 HA THR A 2 -2.636 -11.986 4.093 1.00 0.00 H new ATOM 0 HB THR A 2 -4.536 -10.680 6.123 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.108 -12.090 5.149 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.757 -9.941 4.098 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.086 -9.328 4.096 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.526 -10.716 3.072 1.00 0.00 H new ATOM 34 N THR A 3 -0.711 -10.485 4.993 1.00 0.00 N ATOM 35 CA THR A 3 0.225 -9.335 5.165 1.00 0.00 C ATOM 36 C THR A 3 0.546 -8.711 3.807 1.00 0.00 C ATOM 37 O THR A 3 1.243 -9.294 2.996 1.00 0.00 O ATOM 38 CB THR A 3 1.485 -9.933 5.791 1.00 0.00 C ATOM 39 OG1 THR A 3 1.126 -10.695 6.936 1.00 0.00 O ATOM 40 CG2 THR A 3 2.435 -8.806 6.203 1.00 0.00 C ATOM 0 H THR A 3 -0.281 -11.345 4.651 1.00 0.00 H new ATOM 0 HA THR A 3 -0.201 -8.547 5.786 1.00 0.00 H new ATOM 0 HB THR A 3 1.982 -10.578 5.066 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.932 -11.081 7.338 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.333 -9.232 6.649 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.709 -8.221 5.325 1.00 0.00 H new ATOM 0 HG23 THR A 3 1.941 -8.160 6.929 1.00 0.00 H new ATOM 48 N PHE A 4 0.042 -7.532 3.555 1.00 0.00 N ATOM 49 CA PHE A 4 0.312 -6.861 2.250 1.00 0.00 C ATOM 50 C PHE A 4 1.527 -5.945 2.367 1.00 0.00 C ATOM 51 O PHE A 4 1.724 -5.286 3.371 1.00 0.00 O ATOM 52 CB PHE A 4 -0.945 -6.045 1.955 1.00 0.00 C ATOM 53 CG PHE A 4 -2.048 -6.974 1.518 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.975 -7.607 0.272 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.139 -7.208 2.360 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.994 -8.477 -0.131 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.159 -8.076 1.957 1.00 0.00 C ATOM 58 CZ PHE A 4 -4.086 -8.711 0.712 1.00 0.00 C ATOM 0 H PHE A 4 -0.547 -7.003 4.199 1.00 0.00 H new ATOM 0 HA PHE A 4 0.529 -7.577 1.457 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.250 -5.491 2.843 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.742 -5.311 1.176 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.132 -7.424 -0.378 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.194 -6.719 3.321 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.938 -8.967 -1.092 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.003 -8.256 2.607 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.873 -9.382 0.402 1.00 0.00 H new ATOM 68 N LYS A 5 2.337 -5.894 1.343 1.00 0.00 N ATOM 69 CA LYS A 5 3.542 -5.015 1.378 1.00 0.00 C ATOM 70 C LYS A 5 3.304 -3.793 0.489 1.00 0.00 C ATOM 71 O LYS A 5 2.187 -3.522 0.086 1.00 0.00 O ATOM 72 CB LYS A 5 4.683 -5.871 0.823 1.00 0.00 C ATOM 73 CG LYS A 5 4.872 -7.112 1.702 1.00 0.00 C ATOM 74 CD LYS A 5 4.100 -8.289 1.099 1.00 0.00 C ATOM 75 CE LYS A 5 4.875 -9.586 1.342 1.00 0.00 C ATOM 76 NZ LYS A 5 4.092 -10.638 0.636 1.00 0.00 N ATOM 0 H LYS A 5 2.215 -6.425 0.481 1.00 0.00 H new ATOM 0 HA LYS A 5 3.768 -4.652 2.381 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.461 -6.170 -0.202 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.605 -5.290 0.794 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.931 -7.359 1.778 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.518 -6.911 2.713 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.109 -8.356 1.548 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.956 -8.134 0.030 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.890 -9.519 0.950 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.958 -9.803 2.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.704 -11.457 0.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.293 -10.934 1.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.732 -10.258 -0.263 1.00 0.00 H new ATOM 90 N LEU A 6 4.339 -3.056 0.177 1.00 0.00 N ATOM 91 CA LEU A 6 4.165 -1.852 -0.688 1.00 0.00 C ATOM 92 C LEU A 6 5.525 -1.355 -1.183 1.00 0.00 C ATOM 93 O LEU A 6 6.277 -0.744 -0.446 1.00 0.00 O ATOM 94 CB LEU A 6 3.492 -0.815 0.220 1.00 0.00 C ATOM 95 CG LEU A 6 3.335 0.523 -0.516 1.00 0.00 C ATOM 96 CD1 LEU A 6 2.186 0.430 -1.518 1.00 0.00 C ATOM 97 CD2 LEU A 6 3.033 1.627 0.500 1.00 0.00 C ATOM 0 H LEU A 6 5.295 -3.236 0.483 1.00 0.00 H new ATOM 0 HA LEU A 6 3.570 -2.056 -1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.515 -1.180 0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.087 -0.673 1.122 1.00 0.00 H new ATOM 0 HG LEU A 6 4.259 0.753 -1.047 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.079 1.382 -2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.397 -0.357 -2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.261 0.198 -0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.921 2.579 -0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.110 1.392 1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.853 1.698 1.215 1.00 0.00 H new ATOM 109 N ILE A 7 5.828 -1.587 -2.432 1.00 0.00 N ATOM 110 CA ILE A 7 7.117 -1.106 -2.994 1.00 0.00 C ATOM 111 C ILE A 7 6.947 0.363 -3.357 1.00 0.00 C ATOM 112 O ILE A 7 6.111 0.709 -4.174 1.00 0.00 O ATOM 113 CB ILE A 7 7.363 -1.960 -4.242 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.473 -3.433 -3.839 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.666 -1.521 -4.916 1.00 0.00 C ATOM 116 CD1 ILE A 7 7.054 -4.317 -5.015 1.00 0.00 C ATOM 0 H ILE A 7 5.233 -2.092 -3.088 1.00 0.00 H new ATOM 0 HA ILE A 7 7.955 -1.192 -2.303 1.00 0.00 H new ATOM 0 HB ILE A 7 6.533 -1.832 -4.937 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.496 -3.664 -3.543 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.838 -3.633 -2.976 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.840 -2.129 -5.804 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.591 -0.472 -5.204 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.496 -1.648 -4.221 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.132 -5.366 -4.728 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.024 -4.092 -5.290 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.707 -4.124 -5.866 1.00 0.00 H new ATOM 128 N ILE A 8 7.707 1.233 -2.747 1.00 0.00 N ATOM 129 CA ILE A 8 7.548 2.682 -3.056 1.00 0.00 C ATOM 130 C ILE A 8 8.470 3.064 -4.218 1.00 0.00 C ATOM 131 O ILE A 8 9.659 3.249 -4.037 1.00 0.00 O ATOM 132 CB ILE A 8 7.934 3.483 -1.798 1.00 0.00 C ATOM 133 CG1 ILE A 8 7.396 2.820 -0.498 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.364 4.902 -1.939 1.00 0.00 C ATOM 135 CD1 ILE A 8 5.882 3.010 -0.349 1.00 0.00 C ATOM 0 H ILE A 8 8.423 1.006 -2.056 1.00 0.00 H new ATOM 0 HA ILE A 8 6.519 2.900 -3.341 1.00 0.00 H new ATOM 0 HB ILE A 8 9.021 3.508 -1.716 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.630 1.755 -0.509 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.903 3.249 0.366 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.625 5.488 -1.058 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.782 5.375 -2.827 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.279 4.851 -2.032 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.544 2.533 0.571 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.651 4.075 -0.312 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.373 2.558 -1.200 1.00 0.00 H new ATOM 147 N ASN A 9 7.933 3.181 -5.404 1.00 0.00 N ATOM 148 CA ASN A 9 8.780 3.550 -6.584 1.00 0.00 C ATOM 149 C ASN A 9 9.125 5.049 -6.573 1.00 0.00 C ATOM 150 O ASN A 9 9.862 5.522 -7.418 1.00 0.00 O ATOM 151 CB ASN A 9 7.925 3.199 -7.805 1.00 0.00 C ATOM 152 CG ASN A 9 8.690 3.514 -9.093 1.00 0.00 C ATOM 153 OD1 ASN A 9 9.842 3.157 -9.232 1.00 0.00 O ATOM 154 ND2 ASN A 9 8.091 4.176 -10.050 1.00 0.00 N ATOM 0 H ASN A 9 6.944 3.038 -5.610 1.00 0.00 H new ATOM 0 HA ASN A 9 9.733 3.021 -6.581 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.659 2.142 -7.780 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.993 3.763 -7.780 1.00 0.00 H new ATOM 0 HD21 ASN A 9 8.592 4.392 -10.912 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.123 4.476 -9.934 1.00 0.00 H new ATOM 161 N GLY A 10 8.608 5.796 -5.627 1.00 0.00 N ATOM 162 CA GLY A 10 8.915 7.256 -5.568 1.00 0.00 C ATOM 163 C GLY A 10 10.191 7.472 -4.754 1.00 0.00 C ATOM 164 O GLY A 10 10.633 6.596 -4.037 1.00 0.00 O ATOM 0 H GLY A 10 7.986 5.455 -4.894 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.041 7.654 -6.575 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.084 7.796 -5.113 1.00 0.00 H new ATOM 168 N LYS A 11 10.788 8.633 -4.863 1.00 0.00 N ATOM 169 CA LYS A 11 12.045 8.909 -4.097 1.00 0.00 C ATOM 170 C LYS A 11 11.766 8.928 -2.589 1.00 0.00 C ATOM 171 O LYS A 11 12.635 8.644 -1.788 1.00 0.00 O ATOM 172 CB LYS A 11 12.520 10.287 -4.579 1.00 0.00 C ATOM 173 CG LYS A 11 11.447 11.343 -4.292 1.00 0.00 C ATOM 174 CD LYS A 11 11.412 12.362 -5.434 1.00 0.00 C ATOM 175 CE LYS A 11 12.709 13.174 -5.437 1.00 0.00 C ATOM 176 NZ LYS A 11 12.289 14.571 -5.735 1.00 0.00 N ATOM 0 H LYS A 11 10.461 9.401 -5.448 1.00 0.00 H new ATOM 0 HA LYS A 11 12.799 8.140 -4.264 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.450 10.556 -4.077 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.732 10.254 -5.648 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.472 10.867 -4.186 1.00 0.00 H new ATOM 0 HG3 LYS A 11 11.660 11.846 -3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.290 11.850 -6.388 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.556 13.026 -5.316 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.216 13.111 -4.474 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.405 12.802 -6.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.126 15.189 -5.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.815 14.601 -6.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.632 14.900 -4.999 1.00 0.00 H new ATOM 190 N THR A 12 10.561 9.262 -2.202 1.00 0.00 N ATOM 191 CA THR A 12 10.220 9.305 -0.746 1.00 0.00 C ATOM 192 C THR A 12 9.976 7.890 -0.215 1.00 0.00 C ATOM 193 O THR A 12 9.640 6.993 -0.958 1.00 0.00 O ATOM 194 CB THR A 12 8.941 10.138 -0.657 1.00 0.00 C ATOM 195 OG1 THR A 12 9.103 11.334 -1.407 1.00 0.00 O ATOM 196 CG2 THR A 12 8.656 10.484 0.805 1.00 0.00 C ATOM 0 H THR A 12 9.797 9.507 -2.832 1.00 0.00 H new ATOM 0 HA THR A 12 11.026 9.733 -0.150 1.00 0.00 H new ATOM 0 HB THR A 12 8.106 9.566 -1.061 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.283 11.868 -1.352 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.744 11.078 0.867 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.531 9.566 1.379 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.490 11.056 1.213 1.00 0.00 H new ATOM 204 N LEU A 13 10.140 7.698 1.074 1.00 0.00 N ATOM 205 CA LEU A 13 9.924 6.351 1.705 1.00 0.00 C ATOM 206 C LEU A 13 10.863 5.297 1.099 1.00 0.00 C ATOM 207 O LEU A 13 11.859 4.934 1.696 1.00 0.00 O ATOM 208 CB LEU A 13 8.451 5.986 1.453 1.00 0.00 C ATOM 209 CG LEU A 13 7.606 6.407 2.659 1.00 0.00 C ATOM 210 CD1 LEU A 13 6.129 6.135 2.366 1.00 0.00 C ATOM 211 CD2 LEU A 13 8.031 5.607 3.893 1.00 0.00 C ATOM 0 H LEU A 13 10.419 8.430 1.728 1.00 0.00 H new ATOM 0 HA LEU A 13 10.145 6.381 2.772 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.091 6.483 0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.355 4.913 1.285 1.00 0.00 H new ATOM 0 HG LEU A 13 7.754 7.470 2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.527 6.434 3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.821 6.705 1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.986 5.071 2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.427 5.910 4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.886 4.543 3.705 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.083 5.798 4.106 1.00 0.00 H new ATOM 223 N LYS A 14 10.555 4.797 -0.074 1.00 0.00 N ATOM 224 CA LYS A 14 11.425 3.758 -0.725 1.00 0.00 C ATOM 225 C LYS A 14 11.600 2.548 0.199 1.00 0.00 C ATOM 226 O LYS A 14 12.392 2.570 1.123 1.00 0.00 O ATOM 227 CB LYS A 14 12.777 4.440 -0.987 1.00 0.00 C ATOM 228 CG LYS A 14 12.767 5.093 -2.375 1.00 0.00 C ATOM 229 CD LYS A 14 13.577 4.240 -3.356 1.00 0.00 C ATOM 230 CE LYS A 14 14.281 5.149 -4.369 1.00 0.00 C ATOM 231 NZ LYS A 14 15.675 4.630 -4.452 1.00 0.00 N ATOM 0 H LYS A 14 9.732 5.064 -0.615 1.00 0.00 H new ATOM 0 HA LYS A 14 10.981 3.389 -1.650 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.970 5.192 -0.222 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.582 3.708 -0.925 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.742 5.197 -2.730 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.188 6.097 -2.318 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.312 3.644 -2.815 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.920 3.541 -3.874 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.788 5.113 -5.341 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.266 6.189 -4.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.219 5.203 -5.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.122 4.683 -3.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.659 3.641 -4.772 1.00 0.00 H new ATOM 245 N GLY A 15 10.862 1.496 -0.048 1.00 0.00 N ATOM 246 CA GLY A 15 10.972 0.277 0.806 1.00 0.00 C ATOM 247 C GLY A 15 9.719 -0.583 0.633 1.00 0.00 C ATOM 248 O GLY A 15 8.838 -0.262 -0.143 1.00 0.00 O ATOM 0 H GLY A 15 10.185 1.430 -0.808 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.859 -0.294 0.530 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.089 0.562 1.852 1.00 0.00 H new ATOM 252 N GLU A 16 9.633 -1.674 1.352 1.00 0.00 N ATOM 253 CA GLU A 16 8.439 -2.563 1.239 1.00 0.00 C ATOM 254 C GLU A 16 7.853 -2.842 2.626 1.00 0.00 C ATOM 255 O GLU A 16 7.896 -3.955 3.118 1.00 0.00 O ATOM 256 CB GLU A 16 8.966 -3.853 0.605 1.00 0.00 C ATOM 257 CG GLU A 16 9.027 -3.686 -0.915 1.00 0.00 C ATOM 258 CD GLU A 16 10.204 -4.489 -1.471 1.00 0.00 C ATOM 259 OE1 GLU A 16 10.459 -5.565 -0.954 1.00 0.00 O ATOM 260 OE2 GLU A 16 10.831 -4.016 -2.403 1.00 0.00 O ATOM 0 H GLU A 16 10.342 -1.987 2.015 1.00 0.00 H new ATOM 0 HA GLU A 16 7.643 -2.114 0.646 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.957 -4.085 0.996 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.317 -4.690 0.864 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.095 -4.027 -1.366 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.139 -2.632 -1.171 1.00 0.00 H new ATOM 267 N ILE A 17 7.306 -1.834 3.259 1.00 0.00 N ATOM 268 CA ILE A 17 6.713 -2.033 4.618 1.00 0.00 C ATOM 269 C ILE A 17 5.543 -3.019 4.537 1.00 0.00 C ATOM 270 O ILE A 17 4.630 -2.851 3.751 1.00 0.00 O ATOM 271 CB ILE A 17 6.236 -0.641 5.059 1.00 0.00 C ATOM 272 CG1 ILE A 17 5.618 -0.734 6.459 1.00 0.00 C ATOM 273 CG2 ILE A 17 5.196 -0.100 4.068 1.00 0.00 C ATOM 274 CD1 ILE A 17 6.718 -1.007 7.486 1.00 0.00 C ATOM 0 H ILE A 17 7.244 -0.883 2.894 1.00 0.00 H new ATOM 0 HA ILE A 17 7.427 -2.450 5.328 1.00 0.00 H new ATOM 0 HB ILE A 17 7.088 0.039 5.081 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.101 0.194 6.702 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.874 -1.530 6.487 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.865 0.887 4.391 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.642 -0.027 3.076 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.341 -0.776 4.033 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.278 -1.073 8.481 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.215 -1.947 7.246 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.446 -0.196 7.464 1.00 0.00 H new ATOM 286 N THR A 18 5.571 -4.051 5.342 1.00 0.00 N ATOM 287 CA THR A 18 4.470 -5.060 5.314 1.00 0.00 C ATOM 288 C THR A 18 3.437 -4.754 6.402 1.00 0.00 C ATOM 289 O THR A 18 3.782 -4.430 7.523 1.00 0.00 O ATOM 290 CB THR A 18 5.155 -6.402 5.592 1.00 0.00 C ATOM 291 OG1 THR A 18 5.789 -6.351 6.862 1.00 0.00 O ATOM 292 CG2 THR A 18 6.200 -6.691 4.509 1.00 0.00 C ATOM 0 H THR A 18 6.311 -4.238 6.019 1.00 0.00 H new ATOM 0 HA THR A 18 3.938 -5.059 4.363 1.00 0.00 H new ATOM 0 HB THR A 18 4.408 -7.195 5.585 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.380 -5.644 7.404 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.682 -7.647 4.714 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.713 -6.732 3.535 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.950 -5.900 4.506 1.00 0.00 H new ATOM 300 N ILE A 19 2.173 -4.867 6.079 1.00 0.00 N ATOM 301 CA ILE A 19 1.109 -4.596 7.095 1.00 0.00 C ATOM 302 C ILE A 19 -0.056 -5.577 6.922 1.00 0.00 C ATOM 303 O ILE A 19 -0.523 -5.810 5.823 1.00 0.00 O ATOM 304 CB ILE A 19 0.651 -3.153 6.843 1.00 0.00 C ATOM 305 CG1 ILE A 19 0.105 -3.012 5.416 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.836 -2.204 7.029 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.420 -3.151 5.433 1.00 0.00 C ATOM 0 H ILE A 19 1.831 -5.135 5.156 1.00 0.00 H new ATOM 0 HA ILE A 19 1.478 -4.723 8.113 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.138 -2.902 7.552 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.387 -2.044 5.002 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.543 -3.774 4.771 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.512 -1.179 6.850 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.217 -2.292 8.047 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.625 -2.464 6.323 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.806 -3.051 4.419 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.692 -4.129 5.829 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.849 -2.372 6.063 1.00 0.00 H new ATOM 319 N GLU A 20 -0.522 -6.150 8.002 1.00 0.00 N ATOM 320 CA GLU A 20 -1.656 -7.120 7.914 1.00 0.00 C ATOM 321 C GLU A 20 -2.982 -6.369 7.766 1.00 0.00 C ATOM 322 O GLU A 20 -3.140 -5.269 8.261 1.00 0.00 O ATOM 323 CB GLU A 20 -1.618 -7.896 9.233 1.00 0.00 C ATOM 324 CG GLU A 20 -0.362 -8.769 9.274 1.00 0.00 C ATOM 325 CD GLU A 20 -0.160 -9.310 10.691 1.00 0.00 C ATOM 326 OE1 GLU A 20 -0.437 -8.579 11.628 1.00 0.00 O ATOM 327 OE2 GLU A 20 0.267 -10.446 10.815 1.00 0.00 O ATOM 0 H GLU A 20 -0.165 -5.988 8.944 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.570 -7.782 7.052 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.621 -7.204 10.075 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.509 -8.517 9.328 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.457 -9.595 8.569 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.508 -8.187 8.968 1.00 0.00 H new ATOM 334 N ALA A 21 -3.933 -6.958 7.084 1.00 0.00 N ATOM 335 CA ALA A 21 -5.253 -6.285 6.895 1.00 0.00 C ATOM 336 C ALA A 21 -6.321 -7.312 6.511 1.00 0.00 C ATOM 337 O ALA A 21 -6.013 -8.421 6.118 1.00 0.00 O ATOM 338 CB ALA A 21 -5.030 -5.295 5.752 1.00 0.00 C ATOM 0 H ALA A 21 -3.851 -7.877 6.650 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.599 -5.791 7.803 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.957 -4.758 5.550 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.252 -4.585 6.032 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.722 -5.836 4.857 1.00 0.00 H new ATOM 344 N VAL A 22 -7.576 -6.949 6.623 1.00 0.00 N ATOM 345 CA VAL A 22 -8.677 -7.897 6.268 1.00 0.00 C ATOM 346 C VAL A 22 -8.497 -8.420 4.835 1.00 0.00 C ATOM 347 O VAL A 22 -8.694 -9.589 4.561 1.00 0.00 O ATOM 348 CB VAL A 22 -9.972 -7.080 6.398 1.00 0.00 C ATOM 349 CG1 VAL A 22 -9.937 -5.881 5.443 1.00 0.00 C ATOM 350 CG2 VAL A 22 -11.174 -7.967 6.056 1.00 0.00 C ATOM 0 H VAL A 22 -7.886 -6.033 6.947 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.688 -8.773 6.917 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.061 -6.718 7.422 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.859 -5.309 5.543 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.087 -5.245 5.689 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.840 -6.236 4.417 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.092 -7.387 6.148 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.077 -8.333 5.034 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.209 -8.813 6.742 1.00 0.00 H new ATOM 360 N ASP A 23 -8.113 -7.559 3.929 1.00 0.00 N ATOM 361 CA ASP A 23 -7.905 -7.981 2.514 1.00 0.00 C ATOM 362 C ASP A 23 -6.981 -6.980 1.825 1.00 0.00 C ATOM 363 O ASP A 23 -6.650 -5.952 2.387 1.00 0.00 O ATOM 364 CB ASP A 23 -9.295 -7.956 1.875 1.00 0.00 C ATOM 365 CG ASP A 23 -10.032 -9.258 2.198 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.651 -10.281 1.656 1.00 0.00 O ATOM 367 OD2 ASP A 23 -10.965 -9.207 2.983 1.00 0.00 O ATOM 0 H ASP A 23 -7.933 -6.572 4.112 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.448 -8.967 2.431 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.862 -7.103 2.248 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.208 -7.834 0.795 1.00 0.00 H new ATOM 372 N ALA A 24 -6.560 -7.261 0.616 1.00 0.00 N ATOM 373 CA ALA A 24 -5.655 -6.306 -0.093 1.00 0.00 C ATOM 374 C ALA A 24 -6.364 -4.964 -0.277 1.00 0.00 C ATOM 375 O ALA A 24 -5.751 -3.916 -0.214 1.00 0.00 O ATOM 376 CB ALA A 24 -5.348 -6.947 -1.446 1.00 0.00 C ATOM 0 H ALA A 24 -6.802 -8.103 0.094 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.739 -6.116 0.467 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.687 -6.294 -2.016 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.862 -7.910 -1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.276 -7.094 -1.998 1.00 0.00 H new ATOM 382 N ALA A 25 -7.659 -4.992 -0.487 1.00 0.00 N ATOM 383 CA ALA A 25 -8.427 -3.722 -0.660 1.00 0.00 C ATOM 384 C ALA A 25 -8.173 -2.795 0.534 1.00 0.00 C ATOM 385 O ALA A 25 -7.842 -1.637 0.372 1.00 0.00 O ATOM 386 CB ALA A 25 -9.898 -4.139 -0.711 1.00 0.00 C ATOM 0 H ALA A 25 -8.217 -5.844 -0.546 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.133 -3.181 -1.560 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.523 -3.255 -0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.055 -4.817 -1.550 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.166 -4.643 0.218 1.00 0.00 H new ATOM 392 N GLU A 26 -8.305 -3.314 1.730 1.00 0.00 N ATOM 393 CA GLU A 26 -8.048 -2.479 2.941 1.00 0.00 C ATOM 394 C GLU A 26 -6.573 -2.076 2.964 1.00 0.00 C ATOM 395 O GLU A 26 -6.231 -0.950 3.273 1.00 0.00 O ATOM 396 CB GLU A 26 -8.390 -3.378 4.139 1.00 0.00 C ATOM 397 CG GLU A 26 -9.301 -2.622 5.118 1.00 0.00 C ATOM 398 CD GLU A 26 -8.505 -2.217 6.363 1.00 0.00 C ATOM 399 OE1 GLU A 26 -7.925 -3.094 6.980 1.00 0.00 O ATOM 400 OE2 GLU A 26 -8.492 -1.039 6.675 1.00 0.00 O ATOM 0 H GLU A 26 -8.579 -4.278 1.918 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.640 -1.564 2.958 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.886 -4.285 3.794 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.476 -3.688 4.645 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.713 -1.736 4.635 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.144 -3.251 5.403 1.00 0.00 H new ATOM 407 N ALA A 27 -5.694 -2.988 2.620 1.00 0.00 N ATOM 408 CA ALA A 27 -4.231 -2.661 2.598 1.00 0.00 C ATOM 409 C ALA A 27 -3.986 -1.458 1.685 1.00 0.00 C ATOM 410 O ALA A 27 -3.251 -0.550 2.025 1.00 0.00 O ATOM 411 CB ALA A 27 -3.537 -3.902 2.033 1.00 0.00 C ATOM 0 H ALA A 27 -5.926 -3.945 2.353 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.854 -2.408 3.589 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.462 -3.730 1.990 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.742 -4.758 2.676 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.913 -4.104 1.030 1.00 0.00 H new ATOM 417 N GLU A 28 -4.617 -1.438 0.533 1.00 0.00 N ATOM 418 CA GLU A 28 -4.440 -0.282 -0.399 1.00 0.00 C ATOM 419 C GLU A 28 -4.893 0.999 0.303 1.00 0.00 C ATOM 420 O GLU A 28 -4.302 2.044 0.137 1.00 0.00 O ATOM 421 CB GLU A 28 -5.327 -0.584 -1.610 1.00 0.00 C ATOM 422 CG GLU A 28 -4.841 0.226 -2.818 1.00 0.00 C ATOM 423 CD GLU A 28 -5.974 0.350 -3.838 1.00 0.00 C ATOM 424 OE1 GLU A 28 -7.098 0.576 -3.420 1.00 0.00 O ATOM 425 OE2 GLU A 28 -5.699 0.216 -5.019 1.00 0.00 O ATOM 0 H GLU A 28 -5.244 -2.171 0.201 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.402 -0.144 -0.703 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.298 -1.649 -1.838 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.364 -0.334 -1.385 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.515 1.216 -2.498 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.979 -0.262 -3.273 1.00 0.00 H new ATOM 432 N LYS A 29 -5.919 0.911 1.115 1.00 0.00 N ATOM 433 CA LYS A 29 -6.390 2.116 1.862 1.00 0.00 C ATOM 434 C LYS A 29 -5.325 2.491 2.891 1.00 0.00 C ATOM 435 O LYS A 29 -4.870 3.618 2.956 1.00 0.00 O ATOM 436 CB LYS A 29 -7.688 1.696 2.561 1.00 0.00 C ATOM 437 CG LYS A 29 -8.711 1.223 1.524 1.00 0.00 C ATOM 438 CD LYS A 29 -9.188 2.411 0.688 1.00 0.00 C ATOM 439 CE LYS A 29 -9.928 3.409 1.582 1.00 0.00 C ATOM 440 NZ LYS A 29 -10.698 4.270 0.643 1.00 0.00 N ATOM 0 H LYS A 29 -6.449 0.057 1.291 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.561 2.976 1.214 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.485 0.897 3.274 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.093 2.534 3.128 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.264 0.468 0.877 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.559 0.754 2.024 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.337 2.897 0.211 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.846 2.066 -0.110 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.590 2.897 2.281 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.230 3.999 2.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.232 4.981 1.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.042 4.749 -0.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.359 3.682 0.095 1.00 0.00 H new ATOM 454 N ILE A 30 -4.903 1.531 3.681 1.00 0.00 N ATOM 455 CA ILE A 30 -3.841 1.800 4.702 1.00 0.00 C ATOM 456 C ILE A 30 -2.588 2.323 3.993 1.00 0.00 C ATOM 457 O ILE A 30 -1.939 3.245 4.449 1.00 0.00 O ATOM 458 CB ILE A 30 -3.565 0.445 5.364 1.00 0.00 C ATOM 459 CG1 ILE A 30 -4.832 -0.050 6.068 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.442 0.589 6.396 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.769 -1.572 6.218 1.00 0.00 C ATOM 0 H ILE A 30 -5.249 0.572 3.662 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.139 2.546 5.439 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.266 -0.270 4.598 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.924 0.419 7.047 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.714 0.234 5.494 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.251 -0.377 6.863 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.536 0.939 5.901 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.739 1.308 7.159 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.670 -1.926 6.719 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.697 -2.032 5.232 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.895 -1.843 6.810 1.00 0.00 H new ATOM 473 N PHE A 31 -2.266 1.741 2.867 1.00 0.00 N ATOM 474 CA PHE A 31 -1.075 2.201 2.099 1.00 0.00 C ATOM 475 C PHE A 31 -1.378 3.558 1.464 1.00 0.00 C ATOM 476 O PHE A 31 -0.522 4.420 1.382 1.00 0.00 O ATOM 477 CB PHE A 31 -0.852 1.134 1.022 1.00 0.00 C ATOM 478 CG PHE A 31 -0.114 -0.043 1.615 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.082 0.159 2.315 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.626 -1.337 1.462 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.766 -0.932 2.861 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.060 -2.429 2.007 1.00 0.00 C ATOM 483 CZ PHE A 31 1.255 -2.227 2.707 1.00 0.00 C ATOM 0 H PHE A 31 -2.779 0.966 2.447 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.191 2.323 2.725 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.810 0.808 0.616 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.281 1.554 0.194 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.476 1.157 2.433 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.549 -1.493 0.924 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.688 -0.776 3.401 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.333 -3.428 1.887 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.783 -3.070 3.128 1.00 0.00 H new ATOM 493 N LYS A 32 -2.597 3.755 1.021 1.00 0.00 N ATOM 494 CA LYS A 32 -2.976 5.053 0.397 1.00 0.00 C ATOM 495 C LYS A 32 -3.135 6.155 1.459 1.00 0.00 C ATOM 496 O LYS A 32 -3.342 7.308 1.132 1.00 0.00 O ATOM 497 CB LYS A 32 -4.295 4.794 -0.324 1.00 0.00 C ATOM 498 CG LYS A 32 -4.009 4.075 -1.647 1.00 0.00 C ATOM 499 CD LYS A 32 -3.840 5.106 -2.763 1.00 0.00 C ATOM 500 CE LYS A 32 -5.200 5.717 -3.104 1.00 0.00 C ATOM 501 NZ LYS A 32 -5.134 6.010 -4.563 1.00 0.00 N ATOM 0 H LYS A 32 -3.347 3.065 1.067 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.206 5.404 -0.290 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.952 4.187 0.300 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.813 5.735 -0.511 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.107 3.470 -1.557 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.826 3.394 -1.887 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.147 5.887 -2.449 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.410 4.634 -3.646 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.012 5.026 -2.876 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.382 6.624 -2.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.032 6.432 -4.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.356 6.675 -4.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.967 5.127 -5.087 1.00 0.00 H new ATOM 515 N GLN A 33 -2.977 5.826 2.721 1.00 0.00 N ATOM 516 CA GLN A 33 -3.050 6.866 3.797 1.00 0.00 C ATOM 517 C GLN A 33 -1.609 7.088 4.236 1.00 0.00 C ATOM 518 O GLN A 33 -1.124 8.192 4.378 1.00 0.00 O ATOM 519 CB GLN A 33 -3.884 6.250 4.919 1.00 0.00 C ATOM 520 CG GLN A 33 -5.365 6.281 4.532 1.00 0.00 C ATOM 521 CD GLN A 33 -6.216 5.874 5.737 1.00 0.00 C ATOM 522 OE1 GLN A 33 -5.919 6.241 6.856 1.00 0.00 O ATOM 523 NE2 GLN A 33 -7.269 5.124 5.553 1.00 0.00 N ATOM 0 H GLN A 33 -2.800 4.878 3.052 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.497 7.813 3.494 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.566 5.223 5.101 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.728 6.801 5.847 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.644 7.280 4.198 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.548 5.603 3.698 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -7.518 4.816 4.613 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.843 4.846 6.349 1.00 0.00 H new ATOM 532 N TYR A 34 -0.917 5.990 4.358 1.00 0.00 N ATOM 533 CA TYR A 34 0.530 5.978 4.686 1.00 0.00 C ATOM 534 C TYR A 34 1.307 6.847 3.661 1.00 0.00 C ATOM 535 O TYR A 34 2.418 7.271 3.910 1.00 0.00 O ATOM 536 CB TYR A 34 0.838 4.476 4.541 1.00 0.00 C ATOM 537 CG TYR A 34 2.313 4.207 4.329 1.00 0.00 C ATOM 538 CD1 TYR A 34 3.225 4.446 5.363 1.00 0.00 C ATOM 539 CD2 TYR A 34 2.761 3.705 3.101 1.00 0.00 C ATOM 540 CE1 TYR A 34 4.587 4.184 5.169 1.00 0.00 C ATOM 541 CE2 TYR A 34 4.122 3.445 2.907 1.00 0.00 C ATOM 542 CZ TYR A 34 5.035 3.683 3.941 1.00 0.00 C ATOM 543 OH TYR A 34 6.377 3.423 3.750 1.00 0.00 O ATOM 0 H TYR A 34 -1.318 5.060 4.237 1.00 0.00 H new ATOM 0 HA TYR A 34 0.804 6.385 5.660 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.500 3.951 5.434 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.273 4.072 3.701 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.879 4.832 6.310 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.056 3.519 2.304 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.291 4.368 5.967 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.468 3.060 1.959 1.00 0.00 H new ATOM 0 HH TYR A 34 6.518 3.079 2.843 1.00 0.00 H new ATOM 553 N ALA A 35 0.717 7.106 2.512 1.00 0.00 N ATOM 554 CA ALA A 35 1.382 7.942 1.467 1.00 0.00 C ATOM 555 C ALA A 35 1.021 9.424 1.679 1.00 0.00 C ATOM 556 O ALA A 35 1.863 10.253 1.966 1.00 0.00 O ATOM 557 CB ALA A 35 0.774 7.462 0.146 1.00 0.00 C ATOM 0 H ALA A 35 -0.210 6.766 2.256 1.00 0.00 H new ATOM 0 HA ALA A 35 2.468 7.852 1.493 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.208 8.025 -0.680 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.986 6.401 0.012 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.305 7.617 0.164 1.00 0.00 H new ATOM 563 N ASN A 36 -0.238 9.751 1.506 1.00 0.00 N ATOM 564 CA ASN A 36 -0.703 11.170 1.656 1.00 0.00 C ATOM 565 C ASN A 36 -0.280 11.767 2.999 1.00 0.00 C ATOM 566 O ASN A 36 0.141 12.907 3.070 1.00 0.00 O ATOM 567 CB ASN A 36 -2.227 11.097 1.581 1.00 0.00 C ATOM 568 CG ASN A 36 -2.652 10.742 0.155 1.00 0.00 C ATOM 569 OD1 ASN A 36 -2.809 11.612 -0.679 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.844 9.492 -0.163 1.00 0.00 N ATOM 0 H ASN A 36 -0.974 9.087 1.264 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.269 11.807 0.886 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.601 10.349 2.280 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.662 12.052 1.874 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.126 9.245 -1.112 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.712 8.762 0.537 1.00 0.00 H new ATOM 577 N ASP A 37 -0.398 11.013 4.066 1.00 0.00 N ATOM 578 CA ASP A 37 -0.011 11.533 5.427 1.00 0.00 C ATOM 579 C ASP A 37 1.350 12.228 5.398 1.00 0.00 C ATOM 580 O ASP A 37 1.629 13.109 6.191 1.00 0.00 O ATOM 581 CB ASP A 37 0.048 10.302 6.340 1.00 0.00 C ATOM 582 CG ASP A 37 1.020 9.248 5.788 1.00 0.00 C ATOM 583 OD1 ASP A 37 1.462 9.392 4.662 1.00 0.00 O ATOM 584 OD2 ASP A 37 1.307 8.308 6.512 1.00 0.00 O ATOM 0 H ASP A 37 -0.747 10.055 4.058 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.730 12.274 5.776 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.362 10.602 7.340 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.947 9.868 6.435 1.00 0.00 H new ATOM 589 N ASN A 38 2.189 11.832 4.492 1.00 0.00 N ATOM 590 CA ASN A 38 3.531 12.440 4.383 1.00 0.00 C ATOM 591 C ASN A 38 3.618 13.311 3.126 1.00 0.00 C ATOM 592 O ASN A 38 3.863 14.501 3.203 1.00 0.00 O ATOM 593 CB ASN A 38 4.479 11.246 4.309 1.00 0.00 C ATOM 594 CG ASN A 38 5.845 11.639 4.872 1.00 0.00 C ATOM 595 OD1 ASN A 38 6.053 11.611 6.069 1.00 0.00 O ATOM 596 ND2 ASN A 38 6.793 12.006 4.053 1.00 0.00 N ATOM 0 H ASN A 38 1.996 11.098 3.810 1.00 0.00 H new ATOM 0 HA ASN A 38 3.773 13.097 5.219 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.069 10.408 4.873 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.582 10.914 3.276 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.708 12.269 4.418 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.618 12.029 3.048 1.00 0.00 H new ATOM 603 N GLY A 39 3.411 12.730 1.971 1.00 0.00 N ATOM 604 CA GLY A 39 3.471 13.516 0.707 1.00 0.00 C ATOM 605 C GLY A 39 3.796 12.573 -0.448 1.00 0.00 C ATOM 606 O GLY A 39 4.805 12.714 -1.112 1.00 0.00 O ATOM 0 H GLY A 39 3.202 11.739 1.852 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.519 14.016 0.529 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.230 14.294 0.783 1.00 0.00 H new ATOM 610 N ILE A 40 2.960 11.592 -0.667 1.00 0.00 N ATOM 611 CA ILE A 40 3.215 10.604 -1.747 1.00 0.00 C ATOM 612 C ILE A 40 2.104 10.698 -2.801 1.00 0.00 C ATOM 613 O ILE A 40 0.932 10.694 -2.473 1.00 0.00 O ATOM 614 CB ILE A 40 3.154 9.295 -0.975 1.00 0.00 C ATOM 615 CG1 ILE A 40 4.312 9.270 0.072 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.179 8.086 -1.928 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.393 8.252 -0.279 1.00 0.00 C ATOM 0 H ILE A 40 2.103 11.435 -0.136 1.00 0.00 H new ATOM 0 HA ILE A 40 4.149 10.738 -2.293 1.00 0.00 H new ATOM 0 HB ILE A 40 2.210 9.225 -0.435 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.759 10.262 0.139 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.904 9.038 1.056 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.134 7.164 -1.348 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.322 8.134 -2.599 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.099 8.102 -2.513 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.175 8.275 0.480 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.955 7.255 -0.319 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.823 8.498 -1.250 1.00 0.00 H new ATOM 629 N ASP A 41 2.461 10.790 -4.059 1.00 0.00 N ATOM 630 CA ASP A 41 1.415 10.893 -5.129 1.00 0.00 C ATOM 631 C ASP A 41 2.035 10.739 -6.523 1.00 0.00 C ATOM 632 O ASP A 41 2.666 11.642 -7.040 1.00 0.00 O ATOM 633 CB ASP A 41 0.801 12.290 -4.964 1.00 0.00 C ATOM 634 CG ASP A 41 1.892 13.361 -5.076 1.00 0.00 C ATOM 635 OD1 ASP A 41 2.773 13.371 -4.232 1.00 0.00 O ATOM 636 OD2 ASP A 41 1.827 14.150 -6.003 1.00 0.00 O ATOM 0 H ASP A 41 3.425 10.798 -4.392 1.00 0.00 H new ATOM 0 HA ASP A 41 0.668 10.104 -5.035 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.040 12.454 -5.727 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.304 12.366 -3.997 1.00 0.00 H new ATOM 641 N GLY A 42 1.851 9.598 -7.134 1.00 0.00 N ATOM 642 CA GLY A 42 2.414 9.364 -8.497 1.00 0.00 C ATOM 643 C GLY A 42 1.620 8.254 -9.193 1.00 0.00 C ATOM 644 O GLY A 42 0.986 8.476 -10.207 1.00 0.00 O ATOM 0 H GLY A 42 1.331 8.812 -6.744 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.368 10.281 -9.084 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.465 9.084 -8.425 1.00 0.00 H new ATOM 648 N GLU A 43 1.653 7.061 -8.652 1.00 0.00 N ATOM 649 CA GLU A 43 0.901 5.924 -9.275 1.00 0.00 C ATOM 650 C GLU A 43 0.521 4.894 -8.206 1.00 0.00 C ATOM 651 O GLU A 43 0.964 4.980 -7.086 1.00 0.00 O ATOM 652 CB GLU A 43 1.878 5.312 -10.280 1.00 0.00 C ATOM 653 CG GLU A 43 2.111 6.297 -11.428 1.00 0.00 C ATOM 654 CD GLU A 43 2.718 5.558 -12.623 1.00 0.00 C ATOM 655 OE1 GLU A 43 2.310 4.435 -12.869 1.00 0.00 O ATOM 656 OE2 GLU A 43 3.577 6.129 -13.273 1.00 0.00 O ATOM 0 H GLU A 43 2.169 6.824 -7.805 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.025 6.250 -9.748 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.823 5.079 -9.789 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.479 4.374 -10.666 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.169 6.764 -11.717 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.778 7.097 -11.105 1.00 0.00 H new ATOM 663 N TRP A 44 -0.291 3.921 -8.554 1.00 0.00 N ATOM 664 CA TRP A 44 -0.703 2.871 -7.561 1.00 0.00 C ATOM 665 C TRP A 44 -1.094 1.587 -8.290 1.00 0.00 C ATOM 666 O TRP A 44 -1.949 1.592 -9.157 1.00 0.00 O ATOM 667 CB TRP A 44 -1.922 3.445 -6.832 1.00 0.00 C ATOM 668 CG TRP A 44 -1.465 4.283 -5.691 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.271 5.621 -5.718 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.150 3.847 -4.348 1.00 0.00 C ATOM 671 NE1 TRP A 44 -0.831 6.029 -4.472 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.744 4.969 -3.592 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.173 2.590 -3.725 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.368 4.850 -2.257 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.797 2.464 -2.379 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.393 3.593 -1.648 1.00 0.00 C ATOM 0 H TRP A 44 -0.688 3.808 -9.487 1.00 0.00 H new ATOM 0 HA TRP A 44 0.106 2.629 -6.872 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.522 4.042 -7.518 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.558 2.637 -6.472 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.433 6.264 -6.571 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.600 6.993 -4.233 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.481 1.718 -4.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.060 5.721 -1.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.818 1.495 -1.903 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.101 3.489 -0.613 1.00 0.00 H new ATOM 687 N THR A 45 -0.478 0.488 -7.941 1.00 0.00 N ATOM 688 CA THR A 45 -0.816 -0.807 -8.611 1.00 0.00 C ATOM 689 C THR A 45 -0.728 -1.940 -7.601 1.00 0.00 C ATOM 690 O THR A 45 0.236 -2.049 -6.869 1.00 0.00 O ATOM 691 CB THR A 45 0.226 -1.019 -9.722 1.00 0.00 C ATOM 692 OG1 THR A 45 1.454 -1.450 -9.151 1.00 0.00 O ATOM 693 CG2 THR A 45 0.454 0.279 -10.495 1.00 0.00 C ATOM 0 H THR A 45 0.244 0.429 -7.223 1.00 0.00 H new ATOM 0 HA THR A 45 -1.826 -0.788 -9.020 1.00 0.00 H new ATOM 0 HB THR A 45 -0.147 -1.779 -10.409 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.115 -1.585 -9.861 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.194 0.111 -11.277 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.484 0.603 -10.946 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.815 1.050 -9.814 1.00 0.00 H new ATOM 701 N TYR A 46 -1.716 -2.788 -7.566 1.00 0.00 N ATOM 702 CA TYR A 46 -1.687 -3.929 -6.606 1.00 0.00 C ATOM 703 C TYR A 46 -1.081 -5.164 -7.289 1.00 0.00 C ATOM 704 O TYR A 46 -1.220 -5.358 -8.482 1.00 0.00 O ATOM 705 CB TYR A 46 -3.152 -4.163 -6.204 1.00 0.00 C ATOM 706 CG TYR A 46 -3.266 -5.456 -5.419 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.519 -5.625 -4.249 1.00 0.00 C ATOM 708 CD2 TYR A 46 -4.096 -6.487 -5.875 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.603 -6.822 -3.531 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.182 -7.686 -5.155 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.435 -7.853 -3.983 1.00 0.00 C ATOM 712 OH TYR A 46 -3.518 -9.035 -3.274 1.00 0.00 O ATOM 0 H TYR A 46 -2.544 -2.742 -8.160 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.073 -3.726 -5.728 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.512 -3.328 -5.603 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.780 -4.210 -7.093 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.877 -4.830 -3.900 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.670 -6.358 -6.781 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.026 -6.951 -2.627 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.824 -8.481 -5.504 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.141 -9.643 -3.724 1.00 0.00 H new ATOM 722 N ASP A 47 -0.416 -5.995 -6.530 1.00 0.00 N ATOM 723 CA ASP A 47 0.200 -7.223 -7.110 1.00 0.00 C ATOM 724 C ASP A 47 -0.372 -8.465 -6.425 1.00 0.00 C ATOM 725 O ASP A 47 0.036 -8.831 -5.338 1.00 0.00 O ATOM 726 CB ASP A 47 1.697 -7.091 -6.826 1.00 0.00 C ATOM 727 CG ASP A 47 2.485 -7.882 -7.872 1.00 0.00 C ATOM 728 OD1 ASP A 47 2.177 -7.749 -9.044 1.00 0.00 O ATOM 729 OD2 ASP A 47 3.384 -8.608 -7.483 1.00 0.00 O ATOM 0 H ASP A 47 -0.273 -5.874 -5.527 1.00 0.00 H new ATOM 0 HA ASP A 47 0.000 -7.325 -8.177 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.992 -6.042 -6.850 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.923 -7.463 -5.827 1.00 0.00 H new ATOM 734 N ASP A 48 -1.314 -9.116 -7.062 1.00 0.00 N ATOM 735 CA ASP A 48 -1.930 -10.343 -6.464 1.00 0.00 C ATOM 736 C ASP A 48 -0.947 -11.527 -6.465 1.00 0.00 C ATOM 737 O ASP A 48 -1.249 -12.585 -5.944 1.00 0.00 O ATOM 738 CB ASP A 48 -3.137 -10.655 -7.351 1.00 0.00 C ATOM 739 CG ASP A 48 -3.979 -11.755 -6.703 1.00 0.00 C ATOM 740 OD1 ASP A 48 -4.860 -11.420 -5.928 1.00 0.00 O ATOM 741 OD2 ASP A 48 -3.729 -12.913 -6.992 1.00 0.00 O ATOM 0 H ASP A 48 -1.685 -8.850 -7.974 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.208 -10.179 -5.423 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.739 -9.757 -7.492 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.803 -10.973 -8.339 1.00 0.00 H new ATOM 746 N ALA A 49 0.222 -11.361 -7.037 1.00 0.00 N ATOM 747 CA ALA A 49 1.217 -12.473 -7.063 1.00 0.00 C ATOM 748 C ALA A 49 2.111 -12.394 -5.825 1.00 0.00 C ATOM 749 O ALA A 49 2.613 -13.394 -5.346 1.00 0.00 O ATOM 750 CB ALA A 49 2.036 -12.244 -8.334 1.00 0.00 C ATOM 0 H ALA A 49 0.528 -10.499 -7.488 1.00 0.00 H new ATOM 0 HA ALA A 49 0.746 -13.456 -7.059 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.792 -13.024 -8.425 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.377 -12.274 -9.202 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.523 -11.270 -8.282 1.00 0.00 H new ATOM 756 N THR A 50 2.298 -11.211 -5.296 1.00 0.00 N ATOM 757 CA THR A 50 3.144 -11.055 -4.079 1.00 0.00 C ATOM 758 C THR A 50 2.387 -10.256 -3.010 1.00 0.00 C ATOM 759 O THR A 50 2.949 -9.880 -1.999 1.00 0.00 O ATOM 760 CB THR A 50 4.380 -10.290 -4.549 1.00 0.00 C ATOM 761 OG1 THR A 50 3.982 -9.049 -5.113 1.00 0.00 O ATOM 762 CG2 THR A 50 5.123 -11.117 -5.599 1.00 0.00 C ATOM 0 H THR A 50 1.899 -10.345 -5.658 1.00 0.00 H new ATOM 0 HA THR A 50 3.407 -12.014 -3.632 1.00 0.00 H new ATOM 0 HB THR A 50 5.040 -10.107 -3.701 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.885 -9.147 -6.083 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.005 -10.571 -5.935 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.429 -12.068 -5.163 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.466 -11.302 -6.449 1.00 0.00 H new ATOM 770 N LYS A 51 1.113 -9.986 -3.225 1.00 0.00 N ATOM 771 CA LYS A 51 0.316 -9.205 -2.223 1.00 0.00 C ATOM 772 C LYS A 51 1.012 -7.879 -1.913 1.00 0.00 C ATOM 773 O LYS A 51 1.059 -7.441 -0.777 1.00 0.00 O ATOM 774 CB LYS A 51 0.246 -10.084 -0.968 1.00 0.00 C ATOM 775 CG LYS A 51 -0.425 -11.420 -1.307 1.00 0.00 C ATOM 776 CD LYS A 51 -1.937 -11.299 -1.110 1.00 0.00 C ATOM 777 CE LYS A 51 -2.570 -12.693 -1.137 1.00 0.00 C ATOM 778 NZ LYS A 51 -3.813 -12.538 -1.943 1.00 0.00 N ATOM 0 H LYS A 51 0.594 -10.275 -4.054 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.680 -8.965 -2.596 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.249 -10.259 -0.579 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.315 -9.573 -0.186 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.203 -11.699 -2.337 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.027 -12.210 -0.670 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.152 -10.809 -0.161 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.368 -10.677 -1.895 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.897 -13.423 -1.586 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.794 -13.044 -0.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.302 -13.454 -2.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.438 -11.842 -1.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.568 -12.210 -2.899 1.00 0.00 H new ATOM 792 N THR A 52 1.558 -7.243 -2.916 1.00 0.00 N ATOM 793 CA THR A 52 2.262 -5.944 -2.689 1.00 0.00 C ATOM 794 C THR A 52 1.773 -4.892 -3.686 1.00 0.00 C ATOM 795 O THR A 52 1.586 -5.173 -4.854 1.00 0.00 O ATOM 796 CB THR A 52 3.742 -6.255 -2.919 1.00 0.00 C ATOM 797 OG1 THR A 52 4.133 -7.331 -2.078 1.00 0.00 O ATOM 798 CG2 THR A 52 4.582 -5.019 -2.596 1.00 0.00 C ATOM 0 H THR A 52 1.547 -7.566 -3.883 1.00 0.00 H new ATOM 0 HA THR A 52 2.077 -5.542 -1.693 1.00 0.00 H new ATOM 0 HB THR A 52 3.898 -6.533 -3.961 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.669 -8.148 -2.355 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.636 -5.242 -2.760 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.281 -4.195 -3.243 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.429 -4.737 -1.554 1.00 0.00 H new ATOM 806 N PHE A 53 1.572 -3.678 -3.232 1.00 0.00 N ATOM 807 CA PHE A 53 1.103 -2.602 -4.155 1.00 0.00 C ATOM 808 C PHE A 53 2.315 -1.869 -4.749 1.00 0.00 C ATOM 809 O PHE A 53 3.433 -2.334 -4.628 1.00 0.00 O ATOM 810 CB PHE A 53 0.249 -1.674 -3.286 1.00 0.00 C ATOM 811 CG PHE A 53 -1.041 -2.371 -2.908 1.00 0.00 C ATOM 812 CD1 PHE A 53 -1.035 -3.371 -1.924 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.245 -2.017 -3.536 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.229 -4.015 -1.570 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.435 -2.663 -3.180 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.427 -3.659 -2.199 1.00 0.00 C ATOM 0 H PHE A 53 1.713 -3.388 -2.264 1.00 0.00 H new ATOM 0 HA PHE A 53 0.527 -2.985 -4.998 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.799 -1.394 -2.387 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.031 -0.753 -3.826 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.110 -3.645 -1.439 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.254 -1.247 -4.293 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.224 -4.785 -0.813 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.361 -2.391 -3.664 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.347 -4.154 -1.926 1.00 0.00 H new ATOM 826 N THR A 54 2.118 -0.732 -5.387 1.00 0.00 N ATOM 827 CA THR A 54 3.276 0.000 -5.973 1.00 0.00 C ATOM 828 C THR A 54 2.918 1.473 -6.064 1.00 0.00 C ATOM 829 O THR A 54 2.176 1.885 -6.937 1.00 0.00 O ATOM 830 CB THR A 54 3.483 -0.593 -7.371 1.00 0.00 C ATOM 831 OG1 THR A 54 3.175 -1.981 -7.358 1.00 0.00 O ATOM 832 CG2 THR A 54 4.940 -0.398 -7.796 1.00 0.00 C ATOM 0 H THR A 54 1.209 -0.289 -5.522 1.00 0.00 H new ATOM 0 HA THR A 54 4.183 -0.095 -5.375 1.00 0.00 H new ATOM 0 HB THR A 54 2.825 -0.087 -8.077 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.609 -2.198 -8.128 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.089 -0.819 -8.790 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.174 0.666 -7.814 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.596 -0.902 -7.087 1.00 0.00 H new ATOM 840 N VAL A 55 3.421 2.263 -5.158 1.00 0.00 N ATOM 841 CA VAL A 55 3.089 3.715 -5.176 1.00 0.00 C ATOM 842 C VAL A 55 4.327 4.551 -5.503 1.00 0.00 C ATOM 843 O VAL A 55 5.369 4.412 -4.892 1.00 0.00 O ATOM 844 CB VAL A 55 2.524 4.031 -3.778 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.500 3.583 -2.689 1.00 0.00 C ATOM 846 CG2 VAL A 55 2.265 5.537 -3.641 1.00 0.00 C ATOM 0 H VAL A 55 4.046 1.968 -4.408 1.00 0.00 H new ATOM 0 HA VAL A 55 2.360 3.959 -5.949 1.00 0.00 H new ATOM 0 HB VAL A 55 1.586 3.489 -3.659 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.083 3.815 -1.709 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.665 2.509 -2.768 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.448 4.106 -2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.866 5.749 -2.649 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.199 6.081 -3.780 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.546 5.853 -4.397 1.00 0.00 H new ATOM 856 N THR A 56 4.203 5.419 -6.471 1.00 0.00 N ATOM 857 CA THR A 56 5.351 6.281 -6.864 1.00 0.00 C ATOM 858 C THR A 56 4.933 7.757 -6.799 1.00 0.00 C ATOM 859 O THR A 56 3.813 8.072 -6.446 1.00 0.00 O ATOM 860 CB THR A 56 5.725 5.814 -8.293 1.00 0.00 C ATOM 861 OG1 THR A 56 7.126 5.963 -8.475 1.00 0.00 O ATOM 862 CG2 THR A 56 4.987 6.604 -9.388 1.00 0.00 C ATOM 0 H THR A 56 3.349 5.568 -7.009 1.00 0.00 H new ATOM 0 HA THR A 56 6.213 6.194 -6.202 1.00 0.00 H new ATOM 0 HB THR A 56 5.424 4.771 -8.387 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.298 6.443 -9.312 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.287 6.234 -10.368 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.911 6.477 -9.266 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.239 7.661 -9.306 1.00 0.00 H new ATOM 870 N GLU A 57 5.822 8.650 -7.141 1.00 0.00 N ATOM 871 CA GLU A 57 5.478 10.102 -7.105 1.00 0.00 C ATOM 872 C GLU A 57 5.804 10.755 -8.451 1.00 0.00 C ATOM 873 O GLU A 57 5.807 10.048 -9.445 1.00 0.00 O ATOM 874 CB GLU A 57 6.350 10.691 -5.996 1.00 0.00 C ATOM 875 CG GLU A 57 5.768 12.032 -5.547 1.00 0.00 C ATOM 876 CD GLU A 57 6.905 12.973 -5.142 1.00 0.00 C ATOM 877 OE1 GLU A 57 7.278 12.953 -3.981 1.00 0.00 O ATOM 878 OE2 GLU A 57 7.381 13.699 -5.999 1.00 0.00 O ATOM 879 OXT GLU A 57 6.046 11.951 -8.464 1.00 0.00 O ATOM 0 H GLU A 57 6.772 8.437 -7.444 1.00 0.00 H new ATOM 0 HA GLU A 57 4.417 10.270 -6.919 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.398 10.003 -5.152 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.370 10.827 -6.355 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.185 12.476 -6.354 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.089 11.883 -4.708 1.00 0.00 H new TER 886 GLU A 57