USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 476 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 Single : A 1 THR N :NH3+ -126:sc= 0.115 (180deg=-0.0577) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.0237 USER MOD Single : A 2 THR OG1 : rot -160:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -1.15 K(o=-1.1,f=-3.8!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 160:sc= -0.274 (180deg=-0.486) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -130:sc= -0.175 (180deg=-3.23!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0669) USER MOD Single : A 35 ASN : amide:sc= -0.636 K(o=-0.64,f=-1.7) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 72:sc= 0.929 USER MOD Single : A 46 LYS NZ :NH3+ -124:sc= 1.42 (180deg=-0.124) USER MOD Single : A 51 THR OG1 : rot 78:sc= 0.92 USER MOD Single : A 53 THR OG1 : rot 14:sc= 0.706 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0528 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 5.295 24.806 -3.139 1.00 0.00 N ATOM 2 CA THR A 1 5.070 23.658 -4.068 1.00 0.00 C ATOM 3 C THR A 1 6.039 22.523 -3.779 1.00 0.00 C ATOM 4 O THR A 1 6.927 22.639 -2.938 1.00 0.00 O ATOM 5 CB THR A 1 5.248 24.156 -5.497 1.00 0.00 C ATOM 6 OG1 THR A 1 6.450 24.886 -5.638 1.00 0.00 O ATOM 7 CG2 THR A 1 4.114 25.044 -5.973 1.00 0.00 C ATOM 0 H1 THR A 1 4.401 25.051 -2.667 1.00 0.00 H new ATOM 0 H2 THR A 1 6.003 24.541 -2.425 1.00 0.00 H new ATOM 0 H3 THR A 1 5.638 25.627 -3.678 1.00 0.00 H new ATOM 0 HA THR A 1 4.061 23.269 -3.928 1.00 0.00 H new ATOM 0 HB THR A 1 5.264 23.253 -6.108 1.00 0.00 H new ATOM 0 HG1 THR A 1 6.540 25.192 -6.565 1.00 0.00 H new ATOM 0 HG21 THR A 1 4.306 25.362 -6.998 1.00 0.00 H new ATOM 0 HG22 THR A 1 3.177 24.489 -5.935 1.00 0.00 H new ATOM 0 HG23 THR A 1 4.043 25.920 -5.329 1.00 0.00 H new ATOM 17 N THR A 2 5.861 21.407 -4.487 1.00 0.00 N ATOM 18 CA THR A 2 6.721 20.242 -4.306 1.00 0.00 C ATOM 19 C THR A 2 6.493 19.231 -5.419 1.00 0.00 C ATOM 20 O THR A 2 7.437 18.803 -6.084 1.00 0.00 O ATOM 21 CB THR A 2 6.462 19.599 -2.946 1.00 0.00 C ATOM 22 OG1 THR A 2 5.110 19.767 -2.559 1.00 0.00 O ATOM 23 CG2 THR A 2 7.334 20.159 -1.844 1.00 0.00 C ATOM 0 H THR A 2 5.131 21.287 -5.189 1.00 0.00 H new ATOM 0 HA THR A 2 7.759 20.571 -4.346 1.00 0.00 H new ATOM 0 HB THR A 2 6.704 18.544 -3.074 1.00 0.00 H new ATOM 0 HG1 THR A 2 5.030 19.646 -1.590 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.099 19.659 -0.904 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.383 19.994 -2.091 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.149 21.228 -1.742 1.00 0.00 H new ATOM 31 N TYR A 3 5.234 18.846 -5.613 1.00 0.00 N ATOM 32 CA TYR A 3 4.869 17.868 -6.640 1.00 0.00 C ATOM 33 C TYR A 3 5.829 16.683 -6.651 1.00 0.00 C ATOM 34 O TYR A 3 6.055 16.063 -7.690 1.00 0.00 O ATOM 35 CB TYR A 3 4.845 18.535 -8.018 1.00 0.00 C ATOM 36 CG TYR A 3 6.188 19.064 -8.470 1.00 0.00 C ATOM 37 CD1 TYR A 3 7.065 18.266 -9.193 1.00 0.00 C ATOM 38 CD2 TYR A 3 6.579 20.370 -8.177 1.00 0.00 C ATOM 39 CE1 TYR A 3 8.293 18.746 -9.605 1.00 0.00 C ATOM 40 CE2 TYR A 3 7.807 20.853 -8.584 1.00 0.00 C ATOM 41 CZ TYR A 3 8.659 20.035 -9.297 1.00 0.00 C ATOM 42 OH TYR A 3 9.882 20.516 -9.706 1.00 0.00 O ATOM 0 H TYR A 3 4.445 19.197 -5.071 1.00 0.00 H new ATOM 0 HA TYR A 3 3.874 17.492 -6.403 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.484 17.815 -8.752 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.130 19.357 -8.000 1.00 0.00 H new ATOM 0 HD1 TYR A 3 6.782 17.253 -9.437 1.00 0.00 H new ATOM 0 HD2 TYR A 3 5.911 21.014 -7.623 1.00 0.00 H new ATOM 0 HE1 TYR A 3 8.963 18.112 -10.167 1.00 0.00 H new ATOM 0 HE2 TYR A 3 8.099 21.865 -8.346 1.00 0.00 H new ATOM 0 HH TYR A 3 9.985 21.444 -9.408 1.00 0.00 H new ATOM 52 N LYS A 4 6.388 16.367 -5.483 1.00 0.00 N ATOM 53 CA LYS A 4 7.321 15.258 -5.361 1.00 0.00 C ATOM 54 C LYS A 4 7.420 14.794 -3.912 1.00 0.00 C ATOM 55 O LYS A 4 8.372 15.119 -3.202 1.00 0.00 O ATOM 56 CB LYS A 4 8.702 15.660 -5.879 1.00 0.00 C ATOM 57 CG LYS A 4 9.382 14.579 -6.703 1.00 0.00 C ATOM 58 CD LYS A 4 10.431 13.832 -5.892 1.00 0.00 C ATOM 59 CE LYS A 4 9.870 12.555 -5.310 1.00 0.00 C ATOM 60 NZ LYS A 4 10.466 12.244 -3.980 1.00 0.00 N ATOM 0 H LYS A 4 6.208 16.865 -4.611 1.00 0.00 H new ATOM 0 HA LYS A 4 6.947 14.432 -5.965 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.605 16.560 -6.486 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.339 15.914 -5.032 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.634 13.875 -7.068 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.851 15.029 -7.578 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.286 13.600 -6.526 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.795 14.471 -5.088 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.788 12.645 -5.211 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.060 11.729 -5.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.056 11.361 -3.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.495 12.133 -4.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.263 13.020 -3.319 1.00 0.00 H new ATOM 74 N LEU A 5 6.429 14.020 -3.471 1.00 0.00 N ATOM 75 CA LEU A 5 6.403 13.514 -2.108 1.00 0.00 C ATOM 76 C LEU A 5 5.784 12.115 -2.056 1.00 0.00 C ATOM 77 O LEU A 5 5.427 11.554 -3.092 1.00 0.00 O ATOM 78 CB LEU A 5 5.619 14.458 -1.196 1.00 0.00 C ATOM 79 CG LEU A 5 6.221 15.856 -1.049 1.00 0.00 C ATOM 80 CD1 LEU A 5 5.156 16.854 -0.620 1.00 0.00 C ATOM 81 CD2 LEU A 5 7.370 15.837 -0.054 1.00 0.00 C ATOM 0 H LEU A 5 5.635 13.732 -4.042 1.00 0.00 H new ATOM 0 HA LEU A 5 7.433 13.455 -1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.604 14.554 -1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.543 14.005 -0.208 1.00 0.00 H new ATOM 0 HG LEU A 5 6.611 16.168 -2.018 1.00 0.00 H new ATOM 0 HD11 LEU A 5 5.603 17.843 -0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 5 4.365 16.887 -1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.735 16.548 0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.787 16.840 0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 5 7.004 15.505 0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.143 15.153 -0.404 1.00 0.00 H new ATOM 93 N ILE A 6 5.661 11.571 -0.853 1.00 0.00 N ATOM 94 CA ILE A 6 5.086 10.244 -0.668 1.00 0.00 C ATOM 95 C ILE A 6 3.765 10.318 0.089 1.00 0.00 C ATOM 96 O ILE A 6 3.579 11.178 0.952 1.00 0.00 O ATOM 97 CB ILE A 6 6.049 9.316 0.092 1.00 0.00 C ATOM 98 CG1 ILE A 6 6.479 9.960 1.411 1.00 0.00 C ATOM 99 CG2 ILE A 6 7.264 8.985 -0.762 1.00 0.00 C ATOM 100 CD1 ILE A 6 6.500 8.995 2.575 1.00 0.00 C ATOM 0 H ILE A 6 5.952 12.028 0.011 1.00 0.00 H new ATOM 0 HA ILE A 6 4.909 9.835 -1.663 1.00 0.00 H new ATOM 0 HB ILE A 6 5.526 8.386 0.314 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.473 10.391 1.289 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.801 10.782 1.643 1.00 0.00 H new ATOM 0 HG21 ILE A 6 7.932 8.328 -0.205 1.00 0.00 H new ATOM 0 HG22 ILE A 6 6.941 8.485 -1.675 1.00 0.00 H new ATOM 0 HG23 ILE A 6 7.790 9.905 -1.018 1.00 0.00 H new ATOM 0 HD11 ILE A 6 6.814 9.520 3.477 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.502 8.583 2.724 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.199 8.186 2.364 1.00 0.00 H new ATOM 112 N LEU A 7 2.846 9.414 -0.242 1.00 0.00 N ATOM 113 CA LEU A 7 1.541 9.379 0.406 1.00 0.00 C ATOM 114 C LEU A 7 1.557 8.448 1.612 1.00 0.00 C ATOM 115 O LEU A 7 1.284 8.867 2.736 1.00 0.00 O ATOM 116 CB LEU A 7 0.466 8.930 -0.588 1.00 0.00 C ATOM 117 CG LEU A 7 -0.323 10.066 -1.248 1.00 0.00 C ATOM 118 CD1 LEU A 7 -1.144 10.812 -0.209 1.00 0.00 C ATOM 119 CD2 LEU A 7 0.618 11.014 -1.974 1.00 0.00 C ATOM 0 H LEU A 7 2.982 8.697 -0.955 1.00 0.00 H new ATOM 0 HA LEU A 7 1.308 10.386 0.752 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.941 8.336 -1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.235 8.275 -0.071 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.006 9.637 -1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.699 11.616 -0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.843 10.123 0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.480 11.233 0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.042 11.815 -2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.325 11.440 -1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.163 10.467 -2.744 1.00 0.00 H new ATOM 131 N ASN A 8 1.879 7.182 1.370 1.00 0.00 N ATOM 132 CA ASN A 8 1.928 6.188 2.437 1.00 0.00 C ATOM 133 C ASN A 8 2.374 4.834 1.892 1.00 0.00 C ATOM 134 O ASN A 8 1.752 3.806 2.163 1.00 0.00 O ATOM 135 CB ASN A 8 0.559 6.062 3.110 1.00 0.00 C ATOM 136 CG ASN A 8 0.661 6.001 4.622 1.00 0.00 C ATOM 137 OD1 ASN A 8 1.745 5.813 5.175 1.00 0.00 O ATOM 138 ND2 ASN A 8 -0.470 6.162 5.297 1.00 0.00 N ATOM 0 H ASN A 8 2.110 6.820 0.445 1.00 0.00 H new ATOM 0 HA ASN A 8 2.655 6.518 3.179 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.063 6.911 2.825 1.00 0.00 H new ATOM 0 HB3 ASN A 8 0.059 5.164 2.746 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.464 6.132 6.317 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.345 6.315 4.796 1.00 0.00 H new ATOM 145 N LEU A 9 3.450 4.847 1.115 1.00 0.00 N ATOM 146 CA LEU A 9 3.986 3.637 0.519 1.00 0.00 C ATOM 147 C LEU A 9 4.806 2.841 1.530 1.00 0.00 C ATOM 148 O LEU A 9 4.691 1.618 1.613 1.00 0.00 O ATOM 149 CB LEU A 9 4.841 4.027 -0.681 1.00 0.00 C ATOM 150 CG LEU A 9 5.685 2.912 -1.289 1.00 0.00 C ATOM 151 CD1 LEU A 9 5.976 3.225 -2.746 1.00 0.00 C ATOM 152 CD2 LEU A 9 6.979 2.733 -0.506 1.00 0.00 C ATOM 0 H LEU A 9 3.971 5.693 0.883 1.00 0.00 H new ATOM 0 HA LEU A 9 3.164 2.997 0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.185 4.424 -1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.506 4.837 -0.381 1.00 0.00 H new ATOM 0 HG LEU A 9 5.128 1.976 -1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.579 2.426 -3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.038 3.307 -3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.520 4.167 -2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.568 1.933 -0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.550 3.661 -0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.746 2.476 0.528 1.00 0.00 H new ATOM 164 N LYS A 10 5.628 3.546 2.302 1.00 0.00 N ATOM 165 CA LYS A 10 6.465 2.910 3.313 1.00 0.00 C ATOM 166 C LYS A 10 5.615 2.067 4.257 1.00 0.00 C ATOM 167 O LYS A 10 6.030 0.994 4.698 1.00 0.00 O ATOM 168 CB LYS A 10 7.237 3.969 4.105 1.00 0.00 C ATOM 169 CG LYS A 10 8.738 3.929 3.868 1.00 0.00 C ATOM 170 CD LYS A 10 9.113 4.592 2.553 1.00 0.00 C ATOM 171 CE LYS A 10 9.139 6.107 2.681 1.00 0.00 C ATOM 172 NZ LYS A 10 9.662 6.760 1.448 1.00 0.00 N ATOM 0 H LYS A 10 5.732 4.559 2.246 1.00 0.00 H new ATOM 0 HA LYS A 10 7.178 2.257 2.809 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.861 4.957 3.838 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.041 3.830 5.168 1.00 0.00 H new ATOM 0 HG2 LYS A 10 9.250 4.431 4.689 1.00 0.00 H new ATOM 0 HG3 LYS A 10 9.079 2.894 3.865 1.00 0.00 H new ATOM 0 HD2 LYS A 10 10.092 4.236 2.231 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.399 4.303 1.782 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.132 6.471 2.886 1.00 0.00 H new ATOM 0 HE3 LYS A 10 9.759 6.389 3.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 9.664 7.792 1.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 10.632 6.432 1.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 9.056 6.512 0.640 1.00 0.00 H new ATOM 186 N GLN A 11 4.419 2.560 4.555 1.00 0.00 N ATOM 187 CA GLN A 11 3.501 1.855 5.435 1.00 0.00 C ATOM 188 C GLN A 11 2.657 0.868 4.640 1.00 0.00 C ATOM 189 O GLN A 11 2.285 -0.193 5.141 1.00 0.00 O ATOM 190 CB GLN A 11 2.602 2.851 6.170 1.00 0.00 C ATOM 191 CG GLN A 11 3.084 3.187 7.568 1.00 0.00 C ATOM 192 CD GLN A 11 2.157 2.660 8.645 1.00 0.00 C ATOM 193 OE1 GLN A 11 1.421 3.421 9.274 1.00 0.00 O ATOM 194 NE2 GLN A 11 2.192 1.352 8.869 1.00 0.00 N ATOM 0 H GLN A 11 4.064 3.447 4.198 1.00 0.00 H new ATOM 0 HA GLN A 11 4.082 1.300 6.171 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.538 3.769 5.586 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.594 2.441 6.231 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.080 2.770 7.715 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.173 4.269 7.668 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.817 0.758 8.324 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.594 0.941 9.586 1.00 0.00 H new ATOM 203 N ALA A 12 2.366 1.222 3.393 1.00 0.00 N ATOM 204 CA ALA A 12 1.578 0.364 2.522 1.00 0.00 C ATOM 205 C ALA A 12 2.264 -0.980 2.337 1.00 0.00 C ATOM 206 O ALA A 12 1.612 -2.021 2.277 1.00 0.00 O ATOM 207 CB ALA A 12 1.352 1.037 1.176 1.00 0.00 C ATOM 0 H ALA A 12 2.665 2.098 2.964 1.00 0.00 H new ATOM 0 HA ALA A 12 0.608 0.194 2.990 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.761 0.382 0.536 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.820 1.977 1.324 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.313 1.235 0.702 1.00 0.00 H new ATOM 213 N LYS A 13 3.591 -0.949 2.256 1.00 0.00 N ATOM 214 CA LYS A 13 4.366 -2.172 2.087 1.00 0.00 C ATOM 215 C LYS A 13 4.636 -2.823 3.438 1.00 0.00 C ATOM 216 O LYS A 13 4.617 -4.048 3.556 1.00 0.00 O ATOM 217 CB LYS A 13 5.668 -1.894 1.314 1.00 0.00 C ATOM 218 CG LYS A 13 6.896 -1.585 2.164 1.00 0.00 C ATOM 219 CD LYS A 13 7.241 -0.110 2.087 1.00 0.00 C ATOM 220 CE LYS A 13 8.583 0.187 2.738 1.00 0.00 C ATOM 221 NZ LYS A 13 9.386 1.152 1.939 1.00 0.00 N ATOM 0 H LYS A 13 4.148 -0.096 2.304 1.00 0.00 H new ATOM 0 HA LYS A 13 3.783 -2.875 1.493 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.890 -2.761 0.692 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.496 -1.054 0.641 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.708 -1.866 3.200 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.742 -2.180 1.820 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.265 0.204 1.044 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.461 0.473 2.578 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.420 0.590 3.738 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.143 -0.741 2.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.111 1.586 2.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.846 0.652 1.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.762 1.893 1.561 1.00 0.00 H new ATOM 235 N GLU A 14 4.865 -2.001 4.462 1.00 0.00 N ATOM 236 CA GLU A 14 5.112 -2.518 5.803 1.00 0.00 C ATOM 237 C GLU A 14 3.925 -3.361 6.248 1.00 0.00 C ATOM 238 O GLU A 14 4.077 -4.516 6.661 1.00 0.00 O ATOM 239 CB GLU A 14 5.343 -1.369 6.788 1.00 0.00 C ATOM 240 CG GLU A 14 6.773 -0.848 6.796 1.00 0.00 C ATOM 241 CD GLU A 14 7.540 -1.264 8.036 1.00 0.00 C ATOM 242 OE1 GLU A 14 7.638 -2.483 8.293 1.00 0.00 O ATOM 243 OE2 GLU A 14 8.041 -0.371 8.752 1.00 0.00 O ATOM 0 H GLU A 14 4.884 -0.984 4.388 1.00 0.00 H new ATOM 0 HA GLU A 14 6.009 -3.137 5.785 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.668 -0.549 6.541 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.082 -1.705 7.792 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.294 -1.215 5.911 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.759 0.240 6.730 1.00 0.00 H new ATOM 250 N GLU A 15 2.732 -2.788 6.111 1.00 0.00 N ATOM 251 CA GLU A 15 1.512 -3.498 6.452 1.00 0.00 C ATOM 252 C GLU A 15 1.371 -4.699 5.535 1.00 0.00 C ATOM 253 O GLU A 15 0.887 -5.757 5.937 1.00 0.00 O ATOM 254 CB GLU A 15 0.294 -2.588 6.298 1.00 0.00 C ATOM 255 CG GLU A 15 -1.008 -3.251 6.718 1.00 0.00 C ATOM 256 CD GLU A 15 -2.193 -2.309 6.635 1.00 0.00 C ATOM 257 OE1 GLU A 15 -2.012 -1.102 6.900 1.00 0.00 O ATOM 258 OE2 GLU A 15 -3.302 -2.779 6.306 1.00 0.00 O ATOM 0 H GLU A 15 2.589 -1.838 5.768 1.00 0.00 H new ATOM 0 HA GLU A 15 1.567 -3.822 7.491 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.444 -1.688 6.894 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.214 -2.272 5.258 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.192 -4.118 6.083 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.911 -3.619 7.739 1.00 0.00 H new ATOM 265 N ALA A 16 1.820 -4.520 4.296 1.00 0.00 N ATOM 266 CA ALA A 16 1.769 -5.578 3.311 1.00 0.00 C ATOM 267 C ALA A 16 2.645 -6.742 3.746 1.00 0.00 C ATOM 268 O ALA A 16 2.298 -7.904 3.541 1.00 0.00 O ATOM 269 CB ALA A 16 2.205 -5.059 1.951 1.00 0.00 C ATOM 0 H ALA A 16 2.223 -3.647 3.957 1.00 0.00 H new ATOM 0 HA ALA A 16 0.741 -5.930 3.228 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.161 -5.868 1.222 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.541 -4.253 1.639 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.226 -4.684 2.015 1.00 0.00 H new ATOM 275 N ILE A 17 3.778 -6.423 4.376 1.00 0.00 N ATOM 276 CA ILE A 17 4.684 -7.454 4.863 1.00 0.00 C ATOM 277 C ILE A 17 3.935 -8.363 5.826 1.00 0.00 C ATOM 278 O ILE A 17 3.965 -9.586 5.694 1.00 0.00 O ATOM 279 CB ILE A 17 5.918 -6.852 5.577 1.00 0.00 C ATOM 280 CG1 ILE A 17 6.767 -6.033 4.599 1.00 0.00 C ATOM 281 CG2 ILE A 17 6.762 -7.949 6.212 1.00 0.00 C ATOM 282 CD1 ILE A 17 7.061 -6.750 3.298 1.00 0.00 C ATOM 0 H ILE A 17 4.084 -5.467 4.557 1.00 0.00 H new ATOM 0 HA ILE A 17 5.043 -8.019 4.003 1.00 0.00 H new ATOM 0 HB ILE A 17 5.559 -6.189 6.364 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.252 -5.098 4.380 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.709 -5.772 5.081 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.624 -7.503 6.708 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.163 -8.492 6.943 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.104 -8.638 5.440 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.666 -6.108 2.657 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.605 -7.672 3.505 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.124 -6.987 2.793 1.00 0.00 H new ATOM 294 N LYS A 18 3.238 -7.751 6.779 1.00 0.00 N ATOM 295 CA LYS A 18 2.454 -8.504 7.746 1.00 0.00 C ATOM 296 C LYS A 18 1.372 -9.307 7.028 1.00 0.00 C ATOM 297 O LYS A 18 1.012 -10.406 7.450 1.00 0.00 O ATOM 298 CB LYS A 18 1.819 -7.562 8.771 1.00 0.00 C ATOM 299 CG LYS A 18 2.806 -7.020 9.790 1.00 0.00 C ATOM 300 CD LYS A 18 2.661 -7.716 11.135 1.00 0.00 C ATOM 301 CE LYS A 18 3.819 -7.383 12.061 1.00 0.00 C ATOM 302 NZ LYS A 18 3.548 -7.809 13.462 1.00 0.00 N ATOM 0 H LYS A 18 3.202 -6.739 6.900 1.00 0.00 H new ATOM 0 HA LYS A 18 3.116 -9.191 8.272 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.355 -6.727 8.246 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.023 -8.091 9.294 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.822 -7.152 9.419 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.649 -5.949 9.915 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.723 -7.417 11.602 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.612 -8.794 10.985 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.724 -7.872 11.701 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.006 -6.309 12.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.361 -7.565 14.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.699 -7.323 13.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.395 -8.837 13.489 1.00 0.00 H new ATOM 316 N GLU A 19 0.866 -8.745 5.933 1.00 0.00 N ATOM 317 CA GLU A 19 -0.169 -9.397 5.135 1.00 0.00 C ATOM 318 C GLU A 19 0.317 -10.749 4.627 1.00 0.00 C ATOM 319 O GLU A 19 -0.348 -11.767 4.815 1.00 0.00 O ATOM 320 CB GLU A 19 -0.559 -8.502 3.954 1.00 0.00 C ATOM 321 CG GLU A 19 -1.987 -7.980 4.016 1.00 0.00 C ATOM 322 CD GLU A 19 -2.262 -7.176 5.273 1.00 0.00 C ATOM 323 OE1 GLU A 19 -1.420 -7.210 6.196 1.00 0.00 O ATOM 324 OE2 GLU A 19 -3.318 -6.512 5.334 1.00 0.00 O ATOM 0 H GLU A 19 1.158 -7.835 5.577 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.043 -9.559 5.766 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.125 -7.654 3.913 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.428 -9.062 3.028 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.180 -7.358 3.142 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.679 -8.821 3.968 1.00 0.00 H new ATOM 331 N LEU A 20 1.480 -10.752 3.986 1.00 0.00 N ATOM 332 CA LEU A 20 2.049 -11.986 3.459 1.00 0.00 C ATOM 333 C LEU A 20 2.650 -12.821 4.584 1.00 0.00 C ATOM 334 O LEU A 20 2.673 -14.048 4.510 1.00 0.00 O ATOM 335 CB LEU A 20 3.116 -11.683 2.405 1.00 0.00 C ATOM 336 CG LEU A 20 3.191 -12.679 1.238 1.00 0.00 C ATOM 337 CD1 LEU A 20 2.828 -11.993 -0.065 1.00 0.00 C ATOM 338 CD2 LEU A 20 4.581 -13.297 1.149 1.00 0.00 C ATOM 0 H LEU A 20 2.044 -9.919 3.819 1.00 0.00 H new ATOM 0 HA LEU A 20 1.247 -12.555 2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.930 -10.688 2.000 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.089 -11.651 2.896 1.00 0.00 H new ATOM 0 HG LEU A 20 2.473 -13.479 1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.886 -12.711 -0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.814 -11.599 0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.523 -11.175 -0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.614 -14.000 0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.319 -12.511 0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.805 -13.823 2.077 1.00 0.00 H new ATOM 350 N VAL A 21 3.125 -12.150 5.629 1.00 0.00 N ATOM 351 CA VAL A 21 3.710 -12.842 6.770 1.00 0.00 C ATOM 352 C VAL A 21 2.638 -13.625 7.512 1.00 0.00 C ATOM 353 O VAL A 21 2.908 -14.678 8.088 1.00 0.00 O ATOM 354 CB VAL A 21 4.404 -11.861 7.741 1.00 0.00 C ATOM 355 CG1 VAL A 21 4.825 -12.568 9.024 1.00 0.00 C ATOM 356 CG2 VAL A 21 5.606 -11.213 7.071 1.00 0.00 C ATOM 0 H VAL A 21 3.116 -11.133 5.708 1.00 0.00 H new ATOM 0 HA VAL A 21 4.466 -13.527 6.386 1.00 0.00 H new ATOM 0 HB VAL A 21 3.689 -11.082 8.004 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.311 -11.855 9.690 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.945 -12.983 9.516 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.520 -13.373 8.785 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.084 -10.525 7.768 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.318 -11.984 6.777 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.279 -10.665 6.187 1.00 0.00 H new ATOM 366 N ASP A 22 1.415 -13.109 7.484 1.00 0.00 N ATOM 367 CA ASP A 22 0.304 -13.769 8.144 1.00 0.00 C ATOM 368 C ASP A 22 -0.383 -14.734 7.181 1.00 0.00 C ATOM 369 O ASP A 22 -0.869 -15.788 7.588 1.00 0.00 O ATOM 370 CB ASP A 22 -0.700 -12.743 8.676 1.00 0.00 C ATOM 371 CG ASP A 22 -1.515 -13.280 9.836 1.00 0.00 C ATOM 372 OD1 ASP A 22 -1.980 -14.437 9.748 1.00 0.00 O ATOM 373 OD2 ASP A 22 -1.687 -12.546 10.831 1.00 0.00 O ATOM 0 H ASP A 22 1.172 -12.238 7.012 1.00 0.00 H new ATOM 0 HA ASP A 22 0.694 -14.334 8.990 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.166 -11.848 8.994 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.372 -12.445 7.871 1.00 0.00 H new ATOM 378 N ALA A 23 -0.410 -14.369 5.901 1.00 0.00 N ATOM 379 CA ALA A 23 -1.028 -15.213 4.884 1.00 0.00 C ATOM 380 C ALA A 23 -0.051 -16.276 4.379 1.00 0.00 C ATOM 381 O ALA A 23 -0.456 -17.247 3.739 1.00 0.00 O ATOM 382 CB ALA A 23 -1.527 -14.359 3.727 1.00 0.00 C ATOM 0 H ALA A 23 -0.013 -13.499 5.546 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.876 -15.726 5.338 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.986 -14.999 2.974 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.264 -13.644 4.094 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.689 -13.821 3.284 1.00 0.00 H new ATOM 388 N GLY A 24 1.235 -16.087 4.679 1.00 0.00 N ATOM 389 CA GLY A 24 2.264 -17.032 4.264 1.00 0.00 C ATOM 390 C GLY A 24 2.067 -17.568 2.856 1.00 0.00 C ATOM 391 O GLY A 24 1.473 -18.630 2.673 1.00 0.00 O ATOM 0 H GLY A 24 1.585 -15.288 5.207 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.238 -16.546 4.326 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.280 -17.868 4.963 1.00 0.00 H new ATOM 395 N ILE A 25 2.572 -16.841 1.859 1.00 0.00 N ATOM 396 CA ILE A 25 2.446 -17.273 0.469 1.00 0.00 C ATOM 397 C ILE A 25 3.250 -16.384 -0.484 1.00 0.00 C ATOM 398 O ILE A 25 3.267 -15.162 -0.349 1.00 0.00 O ATOM 399 CB ILE A 25 0.970 -17.326 -0.003 1.00 0.00 C ATOM 400 CG1 ILE A 25 0.085 -16.332 0.766 1.00 0.00 C ATOM 401 CG2 ILE A 25 0.425 -18.738 0.146 1.00 0.00 C ATOM 402 CD1 ILE A 25 0.278 -14.889 0.355 1.00 0.00 C ATOM 0 H ILE A 25 3.067 -15.959 1.987 1.00 0.00 H new ATOM 0 HA ILE A 25 2.855 -18.283 0.439 1.00 0.00 H new ATOM 0 HB ILE A 25 0.949 -17.038 -1.054 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.960 -16.604 0.620 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.293 -16.426 1.832 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.612 -18.765 -0.188 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.019 -19.423 -0.459 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.477 -19.040 1.192 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.382 -14.252 0.944 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.314 -14.597 0.528 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.041 -14.777 -0.703 1.00 0.00 H new ATOM 414 N ALA A 26 3.910 -17.025 -1.451 1.00 0.00 N ATOM 415 CA ALA A 26 4.726 -16.334 -2.455 1.00 0.00 C ATOM 416 C ALA A 26 5.451 -15.118 -1.890 1.00 0.00 C ATOM 417 O ALA A 26 4.957 -13.994 -1.983 1.00 0.00 O ATOM 418 CB ALA A 26 3.872 -15.918 -3.645 1.00 0.00 C ATOM 0 H ALA A 26 3.895 -18.039 -1.561 1.00 0.00 H new ATOM 0 HA ALA A 26 5.486 -17.045 -2.779 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.495 -15.407 -4.379 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.427 -16.803 -4.100 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.082 -15.246 -3.309 1.00 0.00 H new ATOM 424 N GLU A 27 6.635 -15.341 -1.328 1.00 0.00 N ATOM 425 CA GLU A 27 7.425 -14.244 -0.784 1.00 0.00 C ATOM 426 C GLU A 27 7.778 -13.265 -1.897 1.00 0.00 C ATOM 427 O GLU A 27 7.943 -12.070 -1.664 1.00 0.00 O ATOM 428 CB GLU A 27 8.697 -14.776 -0.117 1.00 0.00 C ATOM 429 CG GLU A 27 8.682 -14.659 1.398 1.00 0.00 C ATOM 430 CD GLU A 27 9.711 -15.554 2.063 1.00 0.00 C ATOM 431 OE1 GLU A 27 9.486 -16.781 2.111 1.00 0.00 O ATOM 432 OE2 GLU A 27 10.740 -15.026 2.534 1.00 0.00 O ATOM 0 H GLU A 27 7.064 -16.262 -1.238 1.00 0.00 H new ATOM 0 HA GLU A 27 6.836 -13.726 -0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.831 -15.822 -0.391 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.557 -14.232 -0.507 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.870 -13.623 1.681 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.689 -14.915 1.769 1.00 0.00 H new ATOM 439 N LYS A 28 7.873 -13.791 -3.115 1.00 0.00 N ATOM 440 CA LYS A 28 8.184 -12.983 -4.292 1.00 0.00 C ATOM 441 C LYS A 28 7.345 -11.704 -4.305 1.00 0.00 C ATOM 442 O LYS A 28 7.858 -10.604 -4.552 1.00 0.00 O ATOM 443 CB LYS A 28 7.939 -13.815 -5.569 1.00 0.00 C ATOM 444 CG LYS A 28 7.472 -13.019 -6.782 1.00 0.00 C ATOM 445 CD LYS A 28 8.580 -12.872 -7.811 1.00 0.00 C ATOM 446 CE LYS A 28 8.132 -12.033 -8.997 1.00 0.00 C ATOM 447 NZ LYS A 28 8.418 -10.586 -8.792 1.00 0.00 N ATOM 0 H LYS A 28 7.738 -14.782 -3.314 1.00 0.00 H new ATOM 0 HA LYS A 28 9.234 -12.691 -4.258 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.862 -14.334 -5.828 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.195 -14.580 -5.348 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.615 -13.516 -7.237 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.136 -12.032 -6.464 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.451 -12.410 -7.346 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.889 -13.858 -8.158 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.638 -12.379 -9.898 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.063 -12.173 -9.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.561 -10.031 -8.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.713 -10.426 -7.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.180 -10.288 -9.434 1.00 0.00 H new ATOM 461 N TYR A 29 6.054 -11.849 -4.037 1.00 0.00 N ATOM 462 CA TYR A 29 5.167 -10.700 -4.025 1.00 0.00 C ATOM 463 C TYR A 29 5.542 -9.755 -2.890 1.00 0.00 C ATOM 464 O TYR A 29 5.382 -8.536 -2.995 1.00 0.00 O ATOM 465 CB TYR A 29 3.708 -11.134 -3.919 1.00 0.00 C ATOM 466 CG TYR A 29 3.003 -11.164 -5.258 1.00 0.00 C ATOM 467 CD1 TYR A 29 3.136 -12.254 -6.111 1.00 0.00 C ATOM 468 CD2 TYR A 29 2.206 -10.103 -5.670 1.00 0.00 C ATOM 469 CE1 TYR A 29 2.494 -12.283 -7.336 1.00 0.00 C ATOM 470 CE2 TYR A 29 1.562 -10.127 -6.893 1.00 0.00 C ATOM 471 CZ TYR A 29 1.709 -11.218 -7.722 1.00 0.00 C ATOM 472 OH TYR A 29 1.071 -11.245 -8.939 1.00 0.00 O ATOM 0 H TYR A 29 5.605 -12.740 -3.828 1.00 0.00 H new ATOM 0 HA TYR A 29 5.283 -10.167 -4.968 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.661 -12.125 -3.467 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.180 -10.454 -3.251 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.750 -13.091 -5.813 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.088 -9.245 -5.024 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.607 -13.137 -7.987 1.00 0.00 H new ATOM 0 HE2 TYR A 29 0.946 -9.294 -7.198 1.00 0.00 H new ATOM 0 HH TYR A 29 0.558 -10.419 -9.058 1.00 0.00 H new ATOM 482 N ILE A 30 6.080 -10.320 -1.814 1.00 0.00 N ATOM 483 CA ILE A 30 6.516 -9.518 -0.685 1.00 0.00 C ATOM 484 C ILE A 30 7.623 -8.566 -1.133 1.00 0.00 C ATOM 485 O ILE A 30 7.818 -7.500 -0.552 1.00 0.00 O ATOM 486 CB ILE A 30 7.001 -10.403 0.494 1.00 0.00 C ATOM 487 CG1 ILE A 30 6.494 -9.834 1.820 1.00 0.00 C ATOM 488 CG2 ILE A 30 8.521 -10.533 0.517 1.00 0.00 C ATOM 489 CD1 ILE A 30 6.888 -10.663 3.025 1.00 0.00 C ATOM 0 H ILE A 30 6.222 -11.324 -1.703 1.00 0.00 H new ATOM 0 HA ILE A 30 5.664 -8.941 -0.325 1.00 0.00 H new ATOM 0 HB ILE A 30 6.590 -11.403 0.351 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.880 -8.822 1.943 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.407 -9.758 1.781 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.820 -11.160 1.357 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.861 -10.987 -0.414 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.969 -9.545 0.624 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.494 -10.200 3.930 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.479 -11.668 2.925 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.975 -10.718 3.089 1.00 0.00 H new ATOM 501 N LYS A 31 8.339 -8.967 -2.184 1.00 0.00 N ATOM 502 CA LYS A 31 9.419 -8.159 -2.726 1.00 0.00 C ATOM 503 C LYS A 31 8.864 -6.996 -3.543 1.00 0.00 C ATOM 504 O LYS A 31 9.403 -5.891 -3.493 1.00 0.00 O ATOM 505 CB LYS A 31 10.359 -9.012 -3.584 1.00 0.00 C ATOM 506 CG LYS A 31 11.453 -8.208 -4.277 1.00 0.00 C ATOM 507 CD LYS A 31 12.820 -8.490 -3.676 1.00 0.00 C ATOM 508 CE LYS A 31 13.489 -9.680 -4.344 1.00 0.00 C ATOM 509 NZ LYS A 31 14.003 -9.338 -5.700 1.00 0.00 N ATOM 0 H LYS A 31 8.186 -9.849 -2.674 1.00 0.00 H new ATOM 0 HA LYS A 31 9.989 -7.754 -1.890 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.822 -9.772 -2.955 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.773 -9.537 -4.338 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.465 -8.450 -5.340 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.231 -7.144 -4.195 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.453 -7.609 -3.781 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.716 -8.682 -2.608 1.00 0.00 H new ATOM 0 HE2 LYS A 31 14.312 -10.031 -3.721 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.776 -10.501 -4.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.650 -10.085 -6.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.206 -9.258 -6.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.512 -8.432 -5.660 1.00 0.00 H new ATOM 523 N LEU A 32 7.780 -7.231 -4.290 1.00 0.00 N ATOM 524 CA LEU A 32 7.189 -6.152 -5.090 1.00 0.00 C ATOM 525 C LEU A 32 6.764 -5.006 -4.182 1.00 0.00 C ATOM 526 O LEU A 32 6.838 -3.837 -4.560 1.00 0.00 O ATOM 527 CB LEU A 32 5.985 -6.612 -5.928 1.00 0.00 C ATOM 528 CG LEU A 32 5.763 -8.116 -6.013 1.00 0.00 C ATOM 529 CD1 LEU A 32 4.483 -8.424 -6.774 1.00 0.00 C ATOM 530 CD2 LEU A 32 6.954 -8.800 -6.669 1.00 0.00 C ATOM 0 H LEU A 32 7.305 -8.131 -4.358 1.00 0.00 H new ATOM 0 HA LEU A 32 7.960 -5.823 -5.787 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.085 -6.155 -5.515 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.104 -6.225 -6.940 1.00 0.00 H new ATOM 0 HG LEU A 32 5.663 -8.505 -5.000 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.341 -9.503 -6.825 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.636 -7.970 -6.260 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.554 -8.019 -7.784 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.774 -9.874 -6.720 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.090 -8.407 -7.677 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.852 -8.610 -6.081 1.00 0.00 H new ATOM 542 N ILE A 33 6.331 -5.353 -2.974 1.00 0.00 N ATOM 543 CA ILE A 33 5.906 -4.351 -2.002 1.00 0.00 C ATOM 544 C ILE A 33 7.077 -3.904 -1.140 1.00 0.00 C ATOM 545 O ILE A 33 7.302 -2.709 -0.952 1.00 0.00 O ATOM 546 CB ILE A 33 4.791 -4.868 -1.075 1.00 0.00 C ATOM 547 CG1 ILE A 33 5.061 -6.311 -0.654 1.00 0.00 C ATOM 548 CG2 ILE A 33 3.432 -4.744 -1.749 1.00 0.00 C ATOM 549 CD1 ILE A 33 4.032 -6.854 0.296 1.00 0.00 C ATOM 0 H ILE A 33 6.265 -6.316 -2.645 1.00 0.00 H new ATOM 0 HA ILE A 33 5.518 -3.512 -2.581 1.00 0.00 H new ATOM 0 HB ILE A 33 4.781 -4.252 -0.176 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.094 -6.941 -1.543 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.044 -6.368 -0.186 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.658 -5.115 -1.077 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.237 -3.698 -1.985 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.427 -5.331 -2.668 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.283 -7.883 0.555 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.015 -6.246 1.200 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.050 -6.828 -0.177 1.00 0.00 H new ATOM 561 N ALA A 34 7.820 -4.874 -0.617 1.00 0.00 N ATOM 562 CA ALA A 34 8.967 -4.581 0.227 1.00 0.00 C ATOM 563 C ALA A 34 9.959 -3.678 -0.496 1.00 0.00 C ATOM 564 O ALA A 34 10.691 -2.912 0.132 1.00 0.00 O ATOM 565 CB ALA A 34 9.645 -5.871 0.662 1.00 0.00 C ATOM 0 H ALA A 34 7.646 -5.868 -0.764 1.00 0.00 H new ATOM 0 HA ALA A 34 8.612 -4.054 1.113 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.502 -5.637 1.293 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.938 -6.483 1.222 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.982 -6.420 -0.218 1.00 0.00 H new ATOM 571 N ASN A 35 9.975 -3.774 -1.822 1.00 0.00 N ATOM 572 CA ASN A 35 10.876 -2.966 -2.636 1.00 0.00 C ATOM 573 C ASN A 35 10.210 -1.655 -3.062 1.00 0.00 C ATOM 574 O ASN A 35 10.887 -0.723 -3.495 1.00 0.00 O ATOM 575 CB ASN A 35 11.326 -3.764 -3.867 1.00 0.00 C ATOM 576 CG ASN A 35 12.121 -2.925 -4.850 1.00 0.00 C ATOM 577 OD1 ASN A 35 12.864 -2.027 -4.458 1.00 0.00 O ATOM 578 ND2 ASN A 35 11.966 -3.217 -6.136 1.00 0.00 N ATOM 0 H ASN A 35 9.375 -4.403 -2.355 1.00 0.00 H new ATOM 0 HA ASN A 35 11.750 -2.715 -2.035 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.932 -4.610 -3.544 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.450 -4.173 -4.370 1.00 0.00 H new ATOM 0 HD21 ASN A 35 12.474 -2.687 -6.844 1.00 0.00 H new ATOM 0 HD22 ASN A 35 11.339 -3.971 -6.416 1.00 0.00 H new ATOM 585 N ALA A 36 8.885 -1.582 -2.931 1.00 0.00 N ATOM 586 CA ALA A 36 8.151 -0.375 -3.301 1.00 0.00 C ATOM 587 C ALA A 36 8.338 -0.053 -4.782 1.00 0.00 C ATOM 588 O ALA A 36 8.753 -0.911 -5.560 1.00 0.00 O ATOM 589 CB ALA A 36 8.606 0.792 -2.439 1.00 0.00 C ATOM 0 H ALA A 36 8.303 -2.340 -2.574 1.00 0.00 H new ATOM 0 HA ALA A 36 7.089 -0.549 -3.129 1.00 0.00 H new ATOM 0 HB1 ALA A 36 8.054 1.689 -2.720 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.418 0.564 -1.390 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.673 0.960 -2.588 1.00 0.00 H new ATOM 595 N LYS A 37 8.021 1.193 -5.152 1.00 0.00 N ATOM 596 CA LYS A 37 8.123 1.686 -6.531 1.00 0.00 C ATOM 597 C LYS A 37 6.900 2.533 -6.848 1.00 0.00 C ATOM 598 O LYS A 37 7.010 3.683 -7.273 1.00 0.00 O ATOM 599 CB LYS A 37 8.240 0.540 -7.550 1.00 0.00 C ATOM 600 CG LYS A 37 8.122 0.992 -8.999 1.00 0.00 C ATOM 601 CD LYS A 37 8.345 -0.165 -9.962 1.00 0.00 C ATOM 602 CE LYS A 37 9.122 0.274 -11.193 1.00 0.00 C ATOM 603 NZ LYS A 37 10.297 -0.605 -11.452 1.00 0.00 N ATOM 0 H LYS A 37 7.682 1.896 -4.495 1.00 0.00 H new ATOM 0 HA LYS A 37 9.032 2.283 -6.609 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.199 0.040 -7.412 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.464 -0.197 -7.345 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.135 1.423 -9.168 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.851 1.778 -9.197 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.887 -0.963 -9.454 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.383 -0.577 -10.266 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.463 0.264 -12.061 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.460 1.302 -11.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.800 -0.272 -12.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.939 -0.576 -10.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.973 -1.582 -11.603 1.00 0.00 H new ATOM 617 N THR A 38 5.729 1.951 -6.613 1.00 0.00 N ATOM 618 CA THR A 38 4.467 2.634 -6.842 1.00 0.00 C ATOM 619 C THR A 38 3.587 2.524 -5.603 1.00 0.00 C ATOM 620 O THR A 38 2.975 1.484 -5.361 1.00 0.00 O ATOM 621 CB THR A 38 3.746 2.036 -8.052 1.00 0.00 C ATOM 622 OG1 THR A 38 4.006 0.649 -8.157 1.00 0.00 O ATOM 623 CG2 THR A 38 4.144 2.680 -9.363 1.00 0.00 C ATOM 0 H THR A 38 5.631 0.999 -6.261 1.00 0.00 H new ATOM 0 HA THR A 38 4.670 3.686 -7.045 1.00 0.00 H new ATOM 0 HB THR A 38 2.687 2.225 -7.879 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.535 0.286 -8.936 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.597 2.210 -10.180 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.908 3.744 -9.332 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.215 2.551 -9.522 1.00 0.00 H new ATOM 631 N VAL A 39 3.532 3.598 -4.819 1.00 0.00 N ATOM 632 CA VAL A 39 2.724 3.620 -3.598 1.00 0.00 C ATOM 633 C VAL A 39 1.366 2.967 -3.835 1.00 0.00 C ATOM 634 O VAL A 39 0.842 2.247 -2.979 1.00 0.00 O ATOM 635 CB VAL A 39 2.507 5.062 -3.094 1.00 0.00 C ATOM 636 CG1 VAL A 39 1.765 5.888 -4.136 1.00 0.00 C ATOM 637 CG2 VAL A 39 1.760 5.064 -1.767 1.00 0.00 C ATOM 0 H VAL A 39 4.036 4.465 -5.006 1.00 0.00 H new ATOM 0 HA VAL A 39 3.271 3.058 -2.841 1.00 0.00 H new ATOM 0 HB VAL A 39 3.484 5.518 -2.931 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.622 6.902 -3.762 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.347 5.920 -5.057 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.794 5.434 -4.336 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.618 6.091 -1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.788 4.587 -1.896 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.338 4.515 -1.023 1.00 0.00 H new ATOM 647 N GLU A 40 0.815 3.209 -5.018 1.00 0.00 N ATOM 648 CA GLU A 40 -0.471 2.640 -5.392 1.00 0.00 C ATOM 649 C GLU A 40 -0.328 1.140 -5.596 1.00 0.00 C ATOM 650 O GLU A 40 -1.142 0.357 -5.105 1.00 0.00 O ATOM 651 CB GLU A 40 -1.019 3.311 -6.657 1.00 0.00 C ATOM 652 CG GLU A 40 -2.209 4.211 -6.390 1.00 0.00 C ATOM 653 CD GLU A 40 -3.350 3.496 -5.700 1.00 0.00 C ATOM 654 OE1 GLU A 40 -3.769 2.431 -6.200 1.00 0.00 O ATOM 655 OE2 GLU A 40 -3.822 3.996 -4.657 1.00 0.00 O ATOM 0 H GLU A 40 1.240 3.797 -5.735 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.183 2.821 -4.586 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.226 3.897 -7.122 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.308 2.541 -7.372 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.890 5.052 -5.775 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.564 4.623 -7.334 1.00 0.00 H new ATOM 662 N GLY A 41 0.729 0.738 -6.300 1.00 0.00 N ATOM 663 CA GLY A 41 0.965 -0.672 -6.524 1.00 0.00 C ATOM 664 C GLY A 41 1.227 -1.400 -5.223 1.00 0.00 C ATOM 665 O GLY A 41 0.667 -2.465 -4.981 1.00 0.00 O ATOM 0 H GLY A 41 1.420 1.363 -6.715 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.101 -1.113 -7.022 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.817 -0.799 -7.192 1.00 0.00 H new ATOM 669 N VAL A 42 2.067 -0.813 -4.372 1.00 0.00 N ATOM 670 CA VAL A 42 2.380 -1.406 -3.077 1.00 0.00 C ATOM 671 C VAL A 42 1.095 -1.821 -2.369 1.00 0.00 C ATOM 672 O VAL A 42 1.012 -2.898 -1.777 1.00 0.00 O ATOM 673 CB VAL A 42 3.153 -0.422 -2.180 1.00 0.00 C ATOM 674 CG1 VAL A 42 3.719 -1.141 -0.965 1.00 0.00 C ATOM 675 CG2 VAL A 42 4.263 0.263 -2.964 1.00 0.00 C ATOM 0 H VAL A 42 2.541 0.071 -4.557 1.00 0.00 H new ATOM 0 HA VAL A 42 3.007 -2.279 -3.256 1.00 0.00 H new ATOM 0 HB VAL A 42 2.459 0.344 -1.834 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.262 -0.430 -0.342 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.904 -1.579 -0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.397 -1.929 -1.292 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.796 0.954 -2.311 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.957 -0.487 -3.343 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.832 0.814 -3.800 1.00 0.00 H new ATOM 685 N TRP A 43 0.088 -0.956 -2.455 1.00 0.00 N ATOM 686 CA TRP A 43 -1.204 -1.227 -1.838 1.00 0.00 C ATOM 687 C TRP A 43 -2.014 -2.220 -2.671 1.00 0.00 C ATOM 688 O TRP A 43 -2.847 -2.954 -2.137 1.00 0.00 O ATOM 689 CB TRP A 43 -1.994 0.071 -1.662 1.00 0.00 C ATOM 690 CG TRP A 43 -3.161 -0.066 -0.731 1.00 0.00 C ATOM 691 CD1 TRP A 43 -3.141 0.054 0.628 1.00 0.00 C ATOM 692 CD2 TRP A 43 -4.517 -0.352 -1.090 1.00 0.00 C ATOM 693 NE1 TRP A 43 -4.403 -0.139 1.136 1.00 0.00 N ATOM 694 CE2 TRP A 43 -5.265 -0.390 0.101 1.00 0.00 C ATOM 695 CE3 TRP A 43 -5.171 -0.580 -2.305 1.00 0.00 C ATOM 696 CZ2 TRP A 43 -6.634 -0.646 0.112 1.00 0.00 C ATOM 697 CZ3 TRP A 43 -6.530 -0.833 -2.292 1.00 0.00 C ATOM 698 CH2 TRP A 43 -7.249 -0.863 -1.090 1.00 0.00 C ATOM 0 H TRP A 43 0.143 -0.063 -2.945 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.021 -1.669 -0.859 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.327 0.846 -1.285 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.352 0.405 -2.636 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -2.262 0.269 1.218 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -4.657 -0.102 2.123 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.624 -0.559 -3.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -7.190 -0.672 1.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -7.046 -1.010 -3.224 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -8.310 -1.062 -1.113 1.00 0.00 H new ATOM 709 N THR A 44 -1.771 -2.243 -3.982 1.00 0.00 N ATOM 710 CA THR A 44 -2.492 -3.153 -4.869 1.00 0.00 C ATOM 711 C THR A 44 -1.890 -4.554 -4.823 1.00 0.00 C ATOM 712 O THR A 44 -2.604 -5.541 -4.660 1.00 0.00 O ATOM 713 CB THR A 44 -2.483 -2.629 -6.307 1.00 0.00 C ATOM 714 OG1 THR A 44 -2.582 -1.216 -6.327 1.00 0.00 O ATOM 715 CG2 THR A 44 -3.612 -3.179 -7.150 1.00 0.00 C ATOM 0 H THR A 44 -1.087 -1.648 -4.449 1.00 0.00 H new ATOM 0 HA THR A 44 -3.523 -3.207 -4.520 1.00 0.00 H new ATOM 0 HB THR A 44 -1.536 -2.965 -6.731 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.739 -0.825 -6.017 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.547 -2.768 -8.157 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.536 -4.265 -7.196 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.567 -2.901 -6.705 1.00 0.00 H new ATOM 723 N LEU A 45 -0.572 -4.627 -4.958 1.00 0.00 N ATOM 724 CA LEU A 45 0.130 -5.902 -4.923 1.00 0.00 C ATOM 725 C LEU A 45 -0.135 -6.608 -3.604 1.00 0.00 C ATOM 726 O LEU A 45 -0.237 -7.831 -3.550 1.00 0.00 O ATOM 727 CB LEU A 45 1.634 -5.688 -5.112 1.00 0.00 C ATOM 728 CG LEU A 45 2.083 -5.477 -6.560 1.00 0.00 C ATOM 729 CD1 LEU A 45 1.604 -6.617 -7.444 1.00 0.00 C ATOM 730 CD2 LEU A 45 1.586 -4.140 -7.087 1.00 0.00 C ATOM 0 H LEU A 45 0.032 -3.817 -5.093 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.239 -6.525 -5.738 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.939 -4.823 -4.524 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.162 -6.551 -4.706 1.00 0.00 H new ATOM 0 HG LEU A 45 3.173 -5.467 -6.581 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.934 -6.446 -8.469 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.018 -7.558 -7.081 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.515 -6.666 -7.417 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.916 -4.010 -8.118 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.497 -4.116 -7.049 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.988 -3.334 -6.473 1.00 0.00 H new ATOM 741 N LYS A 46 -0.259 -5.816 -2.542 1.00 0.00 N ATOM 742 CA LYS A 46 -0.528 -6.350 -1.213 1.00 0.00 C ATOM 743 C LYS A 46 -1.937 -6.934 -1.152 1.00 0.00 C ATOM 744 O LYS A 46 -2.122 -8.119 -0.878 1.00 0.00 O ATOM 745 CB LYS A 46 -0.362 -5.239 -0.169 1.00 0.00 C ATOM 746 CG LYS A 46 -1.008 -5.536 1.178 1.00 0.00 C ATOM 747 CD LYS A 46 -1.123 -4.282 2.028 1.00 0.00 C ATOM 748 CE LYS A 46 -1.368 -4.616 3.492 1.00 0.00 C ATOM 749 NZ LYS A 46 -2.773 -4.332 3.899 1.00 0.00 N ATOM 0 H LYS A 46 -0.177 -4.800 -2.578 1.00 0.00 H new ATOM 0 HA LYS A 46 0.182 -7.148 -0.997 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.702 -5.058 -0.015 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.788 -4.318 -0.567 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.999 -5.963 1.022 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.419 -6.284 1.709 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.209 -3.695 1.937 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.938 -3.663 1.655 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.145 -5.669 3.666 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.686 -4.038 4.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.775 -3.681 4.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.283 -3.896 3.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.243 -5.220 4.167 1.00 0.00 H new ATOM 763 N ASP A 47 -2.929 -6.091 -1.407 1.00 0.00 N ATOM 764 CA ASP A 47 -4.319 -6.528 -1.387 1.00 0.00 C ATOM 765 C ASP A 47 -4.535 -7.656 -2.390 1.00 0.00 C ATOM 766 O ASP A 47 -5.375 -8.534 -2.187 1.00 0.00 O ATOM 767 CB ASP A 47 -5.250 -5.355 -1.706 1.00 0.00 C ATOM 768 CG ASP A 47 -6.498 -5.356 -0.844 1.00 0.00 C ATOM 769 OD1 ASP A 47 -6.442 -5.899 0.280 1.00 0.00 O ATOM 770 OD2 ASP A 47 -7.530 -4.816 -1.293 1.00 0.00 O ATOM 0 H ASP A 47 -2.798 -5.104 -1.629 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.551 -6.898 -0.388 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.712 -4.418 -1.561 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.537 -5.398 -2.757 1.00 0.00 H new ATOM 775 N GLU A 48 -3.764 -7.624 -3.473 1.00 0.00 N ATOM 776 CA GLU A 48 -3.861 -8.639 -4.513 1.00 0.00 C ATOM 777 C GLU A 48 -3.173 -9.932 -4.084 1.00 0.00 C ATOM 778 O GLU A 48 -3.774 -11.008 -4.126 1.00 0.00 O ATOM 779 CB GLU A 48 -3.241 -8.127 -5.815 1.00 0.00 C ATOM 780 CG GLU A 48 -3.659 -8.924 -7.040 1.00 0.00 C ATOM 781 CD GLU A 48 -3.635 -8.097 -8.310 1.00 0.00 C ATOM 782 OE1 GLU A 48 -4.548 -7.265 -8.495 1.00 0.00 O ATOM 783 OE2 GLU A 48 -2.702 -8.282 -9.121 1.00 0.00 O ATOM 0 H GLU A 48 -3.064 -6.904 -3.652 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.918 -8.850 -4.678 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.523 -7.084 -5.957 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.155 -8.155 -5.727 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.994 -9.780 -7.156 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.663 -9.319 -6.887 1.00 0.00 H new ATOM 790 N ILE A 49 -1.910 -9.826 -3.670 1.00 0.00 N ATOM 791 CA ILE A 49 -1.164 -11.001 -3.242 1.00 0.00 C ATOM 792 C ILE A 49 -1.873 -11.717 -2.099 1.00 0.00 C ATOM 793 O ILE A 49 -1.685 -12.914 -1.897 1.00 0.00 O ATOM 794 CB ILE A 49 0.292 -10.679 -2.833 1.00 0.00 C ATOM 795 CG1 ILE A 49 1.033 -11.968 -2.465 1.00 0.00 C ATOM 796 CG2 ILE A 49 0.345 -9.692 -1.680 1.00 0.00 C ATOM 797 CD1 ILE A 49 0.904 -13.067 -3.501 1.00 0.00 C ATOM 0 H ILE A 49 -1.391 -8.949 -3.623 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.121 -11.658 -4.111 1.00 0.00 H new ATOM 0 HB ILE A 49 0.784 -10.214 -3.687 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.089 -11.740 -2.321 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.653 -12.334 -1.511 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.384 -9.490 -1.421 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.142 -8.762 -1.974 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.169 -10.114 -0.816 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.455 -13.947 -3.169 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.147 -13.325 -3.629 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.311 -12.721 -4.451 1.00 0.00 H new ATOM 809 N LEU A 50 -2.700 -10.992 -1.360 1.00 0.00 N ATOM 810 CA LEU A 50 -3.441 -11.595 -0.264 1.00 0.00 C ATOM 811 C LEU A 50 -4.679 -12.299 -0.807 1.00 0.00 C ATOM 812 O LEU A 50 -5.117 -13.317 -0.271 1.00 0.00 O ATOM 813 CB LEU A 50 -3.836 -10.544 0.772 1.00 0.00 C ATOM 814 CG LEU A 50 -3.840 -11.043 2.216 1.00 0.00 C ATOM 815 CD1 LEU A 50 -2.439 -10.976 2.797 1.00 0.00 C ATOM 816 CD2 LEU A 50 -4.811 -10.230 3.059 1.00 0.00 C ATOM 0 H LEU A 50 -2.873 -9.996 -1.497 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.801 -12.326 0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.149 -9.701 0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.830 -10.169 0.529 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.170 -12.082 2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.454 -11.334 3.826 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.770 -11.601 2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.086 -9.945 2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.800 -10.600 4.084 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.513 -9.182 3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.817 -10.325 2.649 1.00 0.00 H new ATOM 828 N THR A 51 -5.234 -11.747 -1.885 1.00 0.00 N ATOM 829 CA THR A 51 -6.420 -12.312 -2.519 1.00 0.00 C ATOM 830 C THR A 51 -6.141 -13.701 -3.109 1.00 0.00 C ATOM 831 O THR A 51 -7.061 -14.500 -3.279 1.00 0.00 O ATOM 832 CB THR A 51 -6.927 -11.370 -3.616 1.00 0.00 C ATOM 833 OG1 THR A 51 -7.510 -10.211 -3.048 1.00 0.00 O ATOM 834 CG2 THR A 51 -7.958 -11.997 -4.533 1.00 0.00 C ATOM 0 H THR A 51 -4.878 -10.905 -2.338 1.00 0.00 H new ATOM 0 HA THR A 51 -7.186 -12.424 -1.751 1.00 0.00 H new ATOM 0 HB THR A 51 -6.045 -11.127 -4.209 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.803 -9.601 -2.752 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.269 -11.269 -5.283 1.00 0.00 H new ATOM 0 HG22 THR A 51 -7.524 -12.866 -5.028 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.824 -12.308 -3.948 1.00 0.00 H new ATOM 842 N PHE A 52 -4.873 -13.994 -3.418 1.00 0.00 N ATOM 843 CA PHE A 52 -4.513 -15.296 -3.983 1.00 0.00 C ATOM 844 C PHE A 52 -4.332 -16.348 -2.887 1.00 0.00 C ATOM 845 O PHE A 52 -3.769 -17.418 -3.116 1.00 0.00 O ATOM 846 CB PHE A 52 -3.255 -15.164 -4.866 1.00 0.00 C ATOM 847 CG PHE A 52 -2.040 -15.904 -4.368 1.00 0.00 C ATOM 848 CD1 PHE A 52 -1.232 -15.347 -3.395 1.00 0.00 C ATOM 849 CD2 PHE A 52 -1.706 -17.149 -4.878 1.00 0.00 C ATOM 850 CE1 PHE A 52 -0.113 -16.011 -2.933 1.00 0.00 C ATOM 851 CE2 PHE A 52 -0.587 -17.823 -4.422 1.00 0.00 C ATOM 852 CZ PHE A 52 0.211 -17.252 -3.449 1.00 0.00 C ATOM 0 H PHE A 52 -4.089 -13.355 -3.288 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.333 -15.638 -4.614 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.494 -15.523 -5.867 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.004 -14.107 -4.958 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.480 -14.377 -2.990 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.326 -17.598 -5.640 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.507 -15.562 -2.171 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.338 -18.793 -4.826 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.086 -17.774 -3.092 1.00 0.00 H new ATOM 862 N THR A 53 -4.846 -16.037 -1.708 1.00 0.00 N ATOM 863 CA THR A 53 -4.782 -16.934 -0.563 1.00 0.00 C ATOM 864 C THR A 53 -5.560 -16.306 0.586 1.00 0.00 C ATOM 865 O THR A 53 -4.985 -15.852 1.576 1.00 0.00 O ATOM 866 CB THR A 53 -3.323 -17.217 -0.165 1.00 0.00 C ATOM 867 OG1 THR A 53 -2.740 -18.156 -1.052 1.00 0.00 O ATOM 868 CG2 THR A 53 -3.164 -17.771 1.238 1.00 0.00 C ATOM 0 H THR A 53 -5.320 -15.154 -1.517 1.00 0.00 H new ATOM 0 HA THR A 53 -5.229 -17.894 -0.821 1.00 0.00 H new ATOM 0 HB THR A 53 -2.827 -16.248 -0.211 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.304 -18.247 -1.848 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.108 -17.944 1.443 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.561 -17.056 1.959 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.709 -18.711 1.322 1.00 0.00 H new ATOM 876 N VAL A 54 -6.878 -16.253 0.420 1.00 0.00 N ATOM 877 CA VAL A 54 -7.749 -15.650 1.415 1.00 0.00 C ATOM 878 C VAL A 54 -8.888 -16.590 1.802 1.00 0.00 C ATOM 879 O VAL A 54 -8.816 -17.270 2.826 1.00 0.00 O ATOM 880 CB VAL A 54 -8.326 -14.308 0.906 1.00 0.00 C ATOM 881 CG1 VAL A 54 -7.573 -13.134 1.508 1.00 0.00 C ATOM 882 CG2 VAL A 54 -8.300 -14.243 -0.615 1.00 0.00 C ATOM 0 H VAL A 54 -7.364 -16.622 -0.397 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.143 -15.460 2.301 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.366 -14.247 1.227 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.996 -12.201 1.136 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.660 -13.164 2.594 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.522 -13.193 1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.711 -13.289 -0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.272 -14.336 -0.966 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.898 -15.057 -1.024 1.00 0.00 H new ATOM 892 N THR A 55 -9.932 -16.626 0.980 1.00 0.00 N ATOM 893 CA THR A 55 -11.081 -17.485 1.240 1.00 0.00 C ATOM 894 C THR A 55 -11.863 -16.998 2.459 1.00 0.00 C ATOM 895 O THR A 55 -11.295 -16.381 3.363 1.00 0.00 O ATOM 896 CB THR A 55 -10.637 -18.933 1.455 1.00 0.00 C ATOM 897 OG1 THR A 55 -9.533 -19.245 0.618 1.00 0.00 O ATOM 898 CG2 THR A 55 -11.726 -19.946 1.177 1.00 0.00 C ATOM 0 H THR A 55 -10.006 -16.070 0.128 1.00 0.00 H new ATOM 0 HA THR A 55 -11.732 -17.441 0.367 1.00 0.00 H new ATOM 0 HB THR A 55 -10.369 -18.999 2.509 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.260 -20.174 0.769 1.00 0.00 H new ATOM 0 HG21 THR A 55 -11.341 -20.951 1.350 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.571 -19.762 1.840 1.00 0.00 H new ATOM 0 HG23 THR A 55 -12.051 -19.855 0.141 1.00 0.00 H new ATOM 906 N GLU A 56 -13.160 -17.278 2.476 1.00 0.00 N ATOM 907 CA GLU A 56 -14.015 -16.869 3.582 1.00 0.00 C ATOM 908 C GLU A 56 -14.059 -15.349 3.700 1.00 0.00 C ATOM 909 O GLU A 56 -13.191 -14.683 3.104 1.00 0.00 O ATOM 910 CB GLU A 56 -13.524 -17.479 4.896 1.00 0.00 C ATOM 911 CG GLU A 56 -13.444 -18.997 4.869 1.00 0.00 C ATOM 912 CD GLU A 56 -12.660 -19.562 6.036 1.00 0.00 C ATOM 913 OE1 GLU A 56 -12.504 -18.847 7.049 1.00 0.00 O ATOM 914 OE2 GLU A 56 -12.205 -20.721 5.939 1.00 0.00 O ATOM 915 OXT GLU A 56 -14.969 -14.837 4.388 1.00 0.00 O ATOM 0 H GLU A 56 -13.643 -17.787 1.736 1.00 0.00 H new ATOM 0 HA GLU A 56 -15.022 -17.232 3.379 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.538 -17.076 5.128 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.192 -17.173 5.701 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.453 -19.410 4.880 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.979 -19.316 3.936 1.00 0.00 H new TER 922 GLU A 56