USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 22 THR OG1 : rot -51:sc= 1.44 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.39 K(o=2.8,f=-5.2!) USER MOD Set 2.1: A 7 THR OG1 : rot 170:sc= 0.164 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -159:sc= 0.488 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 0.452 USER MOD Single : A 1 MET CE :methyl -142:sc= 0 (180deg=-2.06!) USER MOD Single : A 1 MET N :NH3+ -167:sc= 2.3 (180deg=2.24) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -129:sc= 1.17 (180deg=-0.657!) USER MOD Single : A 14 THR OG1 : rot -66:sc= 0.122 USER MOD Single : A 20 SER OG : rot 180:sc=0.000857 USER MOD Single : A 27 LYS NZ :NH3+ -111:sc= 1.6 (180deg=-0.186) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 41 GLN : amide:sc= 0.0143 K(o=0.014,f=-3.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.646 K(o=-0.65,f=-0.13) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 150:sc= 0.562 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0971 X(o=-0.097,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 99:sc= 1.27 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.183 K(o=-0.18,f=-0.97) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.075 -6.630 -5.163 1.00 9.67 N ATOM 2 CA MET A 1 11.237 -7.005 -3.748 1.00 10.38 C ATOM 3 C MET A 1 9.895 -7.283 -3.135 1.00 9.62 C ATOM 4 O MET A 1 8.878 -6.731 -3.543 1.00 9.62 O ATOM 5 CB MET A 1 12.011 -5.777 -3.040 1.00 13.77 C ATOM 6 CG MET A 1 11.148 -4.576 -2.692 1.00 16.29 C ATOM 7 SD MET A 1 12.180 -3.263 -1.843 1.00 17.17 S ATOM 8 CE MET A 1 10.847 -2.215 -1.356 1.00 16.11 C ATOM 0 H1 MET A 1 12.001 -6.654 -5.637 1.00 9.67 H new ATOM 0 H2 MET A 1 10.431 -7.301 -5.628 1.00 9.67 H new ATOM 0 H3 MET A 1 10.679 -5.670 -5.225 1.00 9.67 H new ATOM 0 HA MET A 1 11.816 -7.920 -3.622 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.479 -6.143 -2.126 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.814 -5.447 -3.700 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.699 -4.167 -3.597 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.330 -4.883 -2.041 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.147 -1.172 -1.460 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.982 -2.409 -1.990 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.588 -2.416 -0.317 1.00 16.11 H new ATOM 20 N GLN A 2 9.846 -8.224 -2.131 1.00 9.27 N ATOM 21 CA GLN A 2 8.572 -8.621 -1.530 1.00 9.07 C ATOM 22 C GLN A 2 8.111 -7.782 -0.325 1.00 8.72 C ATOM 23 O GLN A 2 8.906 -7.499 0.601 1.00 8.22 O ATOM 24 CB GLN A 2 8.795 -10.070 -1.068 1.00 14.46 C ATOM 25 CG GLN A 2 7.466 -10.618 -0.446 1.00 17.01 C ATOM 26 CD GLN A 2 7.510 -12.135 -0.416 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.655 -12.723 0.637 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.253 -12.677 -1.601 1.00 19.49 N ATOM 0 H GLN A 2 10.664 -8.696 -1.746 1.00 9.27 H new ATOM 0 HA GLN A 2 7.784 -8.482 -2.270 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.100 -10.691 -1.910 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.599 -10.111 -0.334 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.336 -10.227 0.563 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.611 -10.280 -1.032 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.150 -12.081 -2.423 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.158 -13.689 -1.689 1.00 19.49 H new ATOM 37 N ILE A 3 6.789 -7.373 -0.336 1.00 5.87 N ATOM 38 CA ILE A 3 6.174 -6.717 0.821 1.00 5.07 C ATOM 39 C ILE A 3 4.863 -7.441 1.241 1.00 4.01 C ATOM 40 O ILE A 3 4.218 -8.172 0.475 1.00 4.61 O ATOM 41 CB ILE A 3 5.844 -5.224 0.690 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.020 -4.973 -0.582 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.164 -4.424 0.696 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.341 -3.611 -0.599 1.00 10.83 C ATOM 0 H ILE A 3 6.163 -7.496 -1.132 1.00 5.87 H new ATOM 0 HA ILE A 3 6.963 -6.791 1.569 1.00 5.07 H new ATOM 0 HB ILE A 3 5.236 -4.892 1.532 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.672 -5.057 -1.452 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.262 -5.751 -0.675 1.00 4.72 H new ATOM 0 HG21 ILE A 3 6.945 -3.360 0.603 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.695 -4.605 1.630 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.785 -4.741 -0.142 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.776 -3.498 -1.524 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.664 -3.531 0.252 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.096 -2.827 -0.537 1.00 10.83 H new ATOM 56 N PHE A 4 4.415 -7.229 2.475 1.00 4.55 N ATOM 57 CA PHE A 4 3.190 -7.777 3.066 1.00 4.68 C ATOM 58 C PHE A 4 2.282 -6.627 3.443 1.00 5.30 C ATOM 59 O PHE A 4 2.675 -5.643 4.087 1.00 5.58 O ATOM 60 CB PHE A 4 3.481 -8.571 4.400 1.00 4.83 C ATOM 61 CG PHE A 4 4.478 -9.676 4.173 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.006 -10.804 3.436 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.744 -9.682 4.748 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.896 -11.830 3.162 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.581 -10.727 4.488 1.00 10.61 C ATOM 66 CZ PHE A 4 6.175 -11.816 3.705 1.00 8.90 C ATOM 0 H PHE A 4 4.924 -6.636 3.130 1.00 4.55 H new ATOM 0 HA PHE A 4 2.744 -8.448 2.332 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.861 -7.886 5.158 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.552 -8.990 4.786 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.981 -10.856 3.100 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.059 -8.873 5.390 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.594 -12.646 2.522 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.581 -10.715 4.896 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.851 -12.639 3.525 1.00 8.90 H new ATOM 76 N VAL A 5 1.029 -6.678 3.076 1.00 4.44 N ATOM 77 CA VAL A 5 0.036 -5.736 3.446 1.00 3.87 C ATOM 78 C VAL A 5 -1.113 -6.341 4.281 1.00 4.93 C ATOM 79 O VAL A 5 -1.808 -7.273 3.925 1.00 6.84 O ATOM 80 CB VAL A 5 -0.592 -4.935 2.303 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.398 -3.772 2.887 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.430 -4.424 1.268 1.00 9.13 C ATOM 0 H VAL A 5 0.666 -7.422 2.479 1.00 4.44 H new ATOM 0 HA VAL A 5 0.624 -5.046 4.051 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.246 -5.614 1.756 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.848 -3.198 2.077 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.183 -4.162 3.534 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.738 -3.126 3.466 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.089 -3.866 0.489 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.152 -3.773 1.761 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.950 -5.271 0.822 1.00 9.13 H new ATOM 92 N LYS A 6 -1.331 -5.806 5.442 1.00 6.04 N ATOM 93 CA LYS A 6 -2.279 -6.364 6.362 1.00 6.12 C ATOM 94 C LYS A 6 -3.631 -5.674 6.363 1.00 6.57 C ATOM 95 O LYS A 6 -3.623 -4.432 6.208 1.00 5.76 O ATOM 96 CB LYS A 6 -1.747 -6.152 7.806 1.00 7.45 C ATOM 97 CG LYS A 6 -0.314 -6.700 7.881 1.00 11.12 C ATOM 98 CD LYS A 6 -0.105 -8.255 7.846 1.00 14.54 C ATOM 99 CE LYS A 6 -0.354 -8.860 9.212 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.302 -10.313 9.257 1.00 20.55 N ATOM 0 H LYS A 6 -0.857 -4.969 5.781 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.399 -7.403 6.056 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.762 -5.093 8.064 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.387 -6.664 8.525 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.249 -6.271 7.052 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.137 -6.325 8.800 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.781 -8.701 7.117 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.910 -8.483 7.521 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.384 -8.463 9.909 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.333 -8.535 9.564 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.815 -10.653 10.095 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.743 -10.703 8.400 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.689 -10.623 9.308 1.00 20.55 H new ATOM 114 N THR A 7 -4.766 -6.370 6.420 1.00 7.41 N ATOM 115 CA THR A 7 -6.082 -5.691 6.250 1.00 7.48 C ATOM 116 C THR A 7 -6.851 -5.606 7.589 1.00 8.75 C ATOM 117 O THR A 7 -6.466 -6.191 8.638 1.00 8.58 O ATOM 118 CB THR A 7 -6.968 -6.331 5.140 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.592 -7.542 5.453 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.156 -6.668 3.868 1.00 9.17 C ATOM 0 H THR A 7 -4.819 -7.376 6.577 1.00 7.41 H new ATOM 0 HA THR A 7 -5.854 -4.679 5.916 1.00 7.48 H new ATOM 0 HB THR A 7 -7.718 -5.551 5.008 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.241 -7.766 4.754 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.816 -7.112 3.122 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.715 -5.756 3.466 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.364 -7.374 4.118 1.00 9.17 H new ATOM 128 N LEU A 8 -7.987 -4.862 7.619 1.00 9.84 N ATOM 129 CA LEU A 8 -8.827 -4.769 8.794 1.00 14.15 C ATOM 130 C LEU A 8 -9.340 -6.066 9.351 1.00 17.37 C ATOM 131 O LEU A 8 -9.355 -6.309 10.545 1.00 17.01 O ATOM 132 CB LEU A 8 -9.909 -3.723 8.462 1.00 16.63 C ATOM 133 CG LEU A 8 -10.971 -3.469 9.583 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.373 -3.170 10.926 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.911 -2.368 9.101 1.00 18.59 C ATOM 0 H LEU A 8 -8.326 -4.321 6.824 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.227 -4.446 9.645 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.417 -2.778 8.232 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.430 -4.040 7.558 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.531 -4.389 9.749 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.170 -3.005 11.651 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.759 -4.012 11.247 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.754 -2.275 10.858 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.663 -2.171 9.865 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.340 -1.459 8.911 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.403 -2.686 8.182 1.00 18.59 H new ATOM 147 N THR A 9 -9.622 -7.013 8.469 1.00 18.33 N ATOM 148 CA THR A 9 -10.243 -8.366 8.732 1.00 19.24 C ATOM 149 C THR A 9 -9.221 -9.439 8.806 1.00 19.48 C ATOM 150 O THR A 9 -9.428 -10.642 8.831 1.00 23.14 O ATOM 151 CB THR A 9 -11.387 -8.630 7.696 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.922 -8.628 6.337 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.605 -7.651 7.863 1.00 19.70 C ATOM 0 H THR A 9 -9.423 -6.880 7.478 1.00 18.33 H new ATOM 0 HA THR A 9 -10.706 -8.370 9.719 1.00 19.24 H new ATOM 0 HB THR A 9 -11.741 -9.636 7.922 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.675 -8.799 5.733 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.364 -7.884 7.117 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.029 -7.765 8.860 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.267 -6.624 7.728 1.00 19.70 H new ATOM 161 N GLY A 10 -7.964 -9.007 8.804 1.00 19.43 N ATOM 162 CA GLY A 10 -6.730 -9.751 8.985 1.00 18.74 C ATOM 163 C GLY A 10 -6.237 -10.561 7.843 1.00 17.62 C ATOM 164 O GLY A 10 -5.545 -11.582 8.001 1.00 19.74 O ATOM 0 H GLY A 10 -7.768 -8.017 8.659 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.948 -9.042 9.255 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.863 -10.418 9.836 1.00 18.74 H new ATOM 168 N LYS A 11 -6.454 -10.134 6.583 1.00 13.56 N ATOM 169 CA LYS A 11 -5.776 -10.634 5.413 1.00 11.91 C ATOM 170 C LYS A 11 -4.377 -10.146 5.349 1.00 10.18 C ATOM 171 O LYS A 11 -4.071 -9.032 5.773 1.00 9.10 O ATOM 172 CB LYS A 11 -6.485 -10.420 4.074 1.00 13.43 C ATOM 173 CG LYS A 11 -7.720 -11.316 3.912 1.00 16.69 C ATOM 174 CD LYS A 11 -8.245 -11.381 2.519 1.00 17.92 C ATOM 175 CE LYS A 11 -7.481 -12.338 1.528 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.009 -12.337 0.166 1.00 21.93 N ATOM 0 H LYS A 11 -7.134 -9.405 6.365 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.789 -11.715 5.554 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -6.784 -9.375 3.988 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -5.787 -10.619 3.261 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -7.470 -12.324 4.242 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -8.509 -10.952 4.570 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -9.288 -11.694 2.561 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.231 -10.374 2.101 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.431 -12.048 1.498 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.520 -13.354 1.920 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.180 -13.316 -0.141 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.903 -11.805 0.140 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.321 -11.889 -0.473 1.00 21.93 H new ATOM 190 N THR A 12 -3.492 -10.992 4.833 1.00 9.63 N ATOM 191 CA THR A 12 -2.057 -10.656 4.656 1.00 9.85 C ATOM 192 C THR A 12 -1.758 -10.816 3.188 1.00 11.66 C ATOM 193 O THR A 12 -1.805 -11.907 2.624 1.00 12.33 O ATOM 194 CB THR A 12 -1.118 -11.627 5.457 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.451 -11.764 6.841 1.00 10.91 O ATOM 196 CG2 THR A 12 0.358 -11.085 5.292 1.00 9.63 C ATOM 0 H THR A 12 -3.734 -11.933 4.522 1.00 9.63 H new ATOM 0 HA THR A 12 -1.876 -9.646 5.023 1.00 9.85 H new ATOM 0 HB THR A 12 -1.237 -12.630 5.047 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.824 -12.384 7.269 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.046 -11.733 5.835 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.626 -11.075 4.236 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.421 -10.073 5.692 1.00 9.63 H new ATOM 204 N ILE A 13 -1.473 -9.660 2.513 1.00 10.42 N ATOM 205 CA ILE A 13 -1.453 -9.615 1.072 1.00 11.84 C ATOM 206 C ILE A 13 0.001 -9.585 0.707 1.00 10.55 C ATOM 207 O ILE A 13 0.640 -8.589 1.042 1.00 11.92 O ATOM 208 CB ILE A 13 -1.962 -8.305 0.372 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.339 -7.889 1.058 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.267 -8.628 -1.059 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.958 -6.563 0.630 1.00 16.46 C ATOM 0 H ILE A 13 -1.260 -8.772 2.967 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.089 -10.444 0.760 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.216 -7.514 0.451 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.065 -8.679 0.865 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.183 -7.857 2.136 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.623 -7.731 -1.566 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.364 -8.989 -1.551 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.036 -9.399 -1.102 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.890 -6.404 1.173 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.266 -5.750 0.851 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.162 -6.585 -0.441 1.00 16.46 H new ATOM 223 N THR A 14 0.488 -10.602 0.029 1.00 9.39 N ATOM 224 CA THR A 14 1.913 -10.647 -0.394 1.00 9.63 C ATOM 225 C THR A 14 1.990 -10.123 -1.771 1.00 11.20 C ATOM 226 O THR A 14 1.271 -10.535 -2.648 1.00 11.63 O ATOM 227 CB THR A 14 2.512 -11.970 -0.488 1.00 10.38 C ATOM 228 OG1 THR A 14 2.449 -12.648 0.763 1.00 16.30 O ATOM 229 CG2 THR A 14 4.004 -11.894 -0.812 1.00 11.66 C ATOM 0 H THR A 14 -0.061 -11.415 -0.251 1.00 9.39 H new ATOM 0 HA THR A 14 2.445 -10.084 0.373 1.00 9.63 H new ATOM 0 HB THR A 14 1.955 -12.487 -1.270 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.007 -12.179 1.418 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.415 -12.902 -0.874 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.144 -11.386 -1.766 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.519 -11.340 -0.027 1.00 11.66 H new ATOM 237 N LEU A 15 2.873 -9.083 -1.935 1.00 8.29 N ATOM 238 CA LEU A 15 3.148 -8.338 -3.178 1.00 9.03 C ATOM 239 C LEU A 15 4.582 -8.303 -3.546 1.00 8.59 C ATOM 240 O LEU A 15 5.516 -8.397 -2.724 1.00 7.79 O ATOM 241 CB LEU A 15 2.617 -6.881 -3.110 1.00 11.08 C ATOM 242 CG LEU A 15 1.112 -6.653 -2.674 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.893 -5.161 -2.514 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.196 -7.263 -3.698 1.00 15.27 C ATOM 0 H LEU A 15 3.432 -8.737 -1.155 1.00 8.29 H new ATOM 0 HA LEU A 15 2.615 -8.892 -3.951 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.252 -6.327 -2.418 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.750 -6.432 -4.094 1.00 11.08 H new ATOM 0 HG LEU A 15 0.892 -7.138 -1.723 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.138 -4.975 -2.213 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.569 -4.774 -1.752 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.091 -4.661 -3.462 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.840 -7.106 -3.398 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.369 -6.793 -4.666 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.394 -8.332 -3.773 1.00 15.27 H new ATOM 256 N GLU A 16 4.733 -8.193 -4.832 1.00 11.04 N ATOM 257 CA GLU A 16 5.995 -8.093 -5.516 1.00 11.50 C ATOM 258 C GLU A 16 6.059 -6.667 -5.909 1.00 10.13 C ATOM 259 O GLU A 16 5.192 -6.229 -6.694 1.00 9.83 O ATOM 260 CB GLU A 16 6.014 -8.990 -6.774 1.00 17.22 C ATOM 261 CG GLU A 16 7.297 -8.860 -7.567 1.00 23.33 C ATOM 262 CD GLU A 16 8.543 -9.138 -6.772 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.727 -10.300 -6.309 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.455 -8.244 -6.557 1.00 28.86 O ATOM 0 H GLU A 16 3.938 -8.169 -5.470 1.00 11.04 H new ATOM 0 HA GLU A 16 6.834 -8.413 -4.899 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.880 -10.030 -6.475 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.170 -8.731 -7.413 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.259 -9.546 -8.414 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.358 -7.851 -7.976 1.00 23.33 H new ATOM 271 N VAL A 17 6.976 -5.885 -5.363 1.00 8.99 N ATOM 272 CA VAL A 17 7.041 -4.465 -5.588 1.00 8.85 C ATOM 273 C VAL A 17 8.443 -4.032 -5.880 1.00 8.04 C ATOM 274 O VAL A 17 9.411 -4.672 -5.511 1.00 8.99 O ATOM 275 CB VAL A 17 6.470 -3.594 -4.498 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.034 -4.054 -4.131 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.342 -3.604 -3.213 1.00 10.54 C ATOM 0 H VAL A 17 7.706 -6.233 -4.741 1.00 8.99 H new ATOM 0 HA VAL A 17 6.393 -4.314 -6.452 1.00 8.85 H new ATOM 0 HB VAL A 17 6.453 -2.578 -4.891 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.637 -3.414 -3.343 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.394 -3.985 -5.011 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.061 -5.086 -3.782 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.887 -2.961 -2.459 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.411 -4.621 -2.828 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.341 -3.236 -3.448 1.00 10.54 H new ATOM 287 N GLU A 18 8.607 -2.897 -6.575 1.00 7.29 N ATOM 288 CA GLU A 18 9.923 -2.427 -7.017 1.00 7.08 C ATOM 289 C GLU A 18 10.176 -1.064 -6.187 1.00 6.45 C ATOM 290 O GLU A 18 9.266 -0.247 -6.104 1.00 5.28 O ATOM 291 CB GLU A 18 9.987 -2.154 -8.566 1.00 10.28 C ATOM 292 CG GLU A 18 11.288 -1.646 -9.126 1.00 12.65 C ATOM 293 CD GLU A 18 11.282 -1.599 -10.663 1.00 14.15 C ATOM 294 OE1 GLU A 18 10.177 -1.674 -11.295 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.360 -1.499 -11.316 1.00 14.33 O ATOM 0 H GLU A 18 7.836 -2.285 -6.844 1.00 7.29 H new ATOM 0 HA GLU A 18 10.685 -3.184 -6.833 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.737 -3.081 -9.082 1.00 10.28 H new ATOM 0 HB3 GLU A 18 9.209 -1.432 -8.813 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.484 -0.648 -8.735 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.102 -2.287 -8.787 1.00 12.65 H new ATOM 302 N PRO A 19 11.454 -0.735 -5.735 1.00 7.24 N ATOM 303 CA PRO A 19 11.770 0.508 -5.037 1.00 7.07 C ATOM 304 C PRO A 19 11.214 1.790 -5.780 1.00 6.65 C ATOM 305 O PRO A 19 10.765 2.667 -5.049 1.00 6.37 O ATOM 306 CB PRO A 19 13.299 0.431 -5.008 1.00 7.61 C ATOM 307 CG PRO A 19 13.545 -0.991 -4.675 1.00 8.16 C ATOM 308 CD PRO A 19 12.459 -1.752 -5.536 1.00 7.49 C ATOM 0 HA PRO A 19 11.313 0.605 -4.052 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.737 0.704 -5.968 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.725 1.102 -4.261 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.557 -1.298 -4.939 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.422 -1.183 -3.609 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.867 -2.110 -6.481 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.060 -2.620 -5.012 1.00 7.49 H new ATOM 316 N SER A 20 11.205 1.841 -7.138 1.00 6.80 N ATOM 317 CA SER A 20 10.743 2.990 -7.906 1.00 6.28 C ATOM 318 C SER A 20 9.251 3.024 -8.215 1.00 8.45 C ATOM 319 O SER A 20 8.868 3.923 -8.992 1.00 7.26 O ATOM 320 CB SER A 20 11.525 3.156 -9.215 1.00 8.57 C ATOM 321 OG SER A 20 11.562 1.918 -9.953 1.00 11.13 O ATOM 0 H SER A 20 11.525 1.068 -7.721 1.00 6.80 H new ATOM 0 HA SER A 20 10.936 3.826 -7.234 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.062 3.933 -9.824 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.541 3.485 -8.997 1.00 8.57 H new ATOM 0 HG SER A 20 12.064 2.048 -10.785 1.00 11.13 H new ATOM 327 N ASP A 21 8.408 2.053 -7.748 1.00 7.50 N ATOM 328 CA ASP A 21 6.976 2.184 -7.869 1.00 7.70 C ATOM 329 C ASP A 21 6.366 3.177 -6.974 1.00 7.08 C ATOM 330 O ASP A 21 6.688 3.376 -5.820 1.00 8.11 O ATOM 331 CB ASP A 21 6.381 0.825 -7.442 1.00 11.00 C ATOM 332 CG ASP A 21 6.686 -0.250 -8.487 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.904 0.041 -9.698 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.515 -1.437 -8.125 1.00 14.36 O ATOM 0 H ASP A 21 8.719 1.194 -7.295 1.00 7.50 H new ATOM 0 HA ASP A 21 6.773 2.496 -8.894 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.793 0.529 -6.477 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.303 0.919 -7.313 1.00 11.00 H new ATOM 339 N THR A 22 5.376 4.004 -7.420 1.00 5.37 N ATOM 340 CA THR A 22 4.659 4.862 -6.540 1.00 6.01 C ATOM 341 C THR A 22 3.760 4.144 -5.535 1.00 8.01 C ATOM 342 O THR A 22 3.502 2.966 -5.658 1.00 8.11 O ATOM 343 CB THR A 22 3.850 5.989 -7.153 1.00 8.92 C ATOM 344 OG1 THR A 22 2.867 5.496 -8.054 1.00 10.22 O ATOM 345 CG2 THR A 22 4.810 6.998 -7.866 1.00 9.65 C ATOM 0 H THR A 22 5.085 4.066 -8.396 1.00 5.37 H new ATOM 0 HA THR A 22 5.512 5.317 -6.037 1.00 6.01 H new ATOM 0 HB THR A 22 3.319 6.507 -6.355 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.286 4.881 -8.691 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.226 7.807 -8.306 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.510 7.409 -7.139 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.363 6.482 -8.651 1.00 9.65 H new ATOM 353 N ILE A 23 3.283 4.782 -4.506 1.00 8.32 N ATOM 354 CA ILE A 23 2.235 4.197 -3.694 1.00 9.92 C ATOM 355 C ILE A 23 0.935 3.886 -4.478 1.00 10.01 C ATOM 356 O ILE A 23 0.265 2.857 -4.339 1.00 8.71 O ATOM 357 CB ILE A 23 1.980 5.060 -2.463 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.244 5.123 -1.563 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.711 4.719 -1.629 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.678 3.853 -0.764 1.00 12.30 C ATOM 0 H ILE A 23 3.596 5.704 -4.203 1.00 8.32 H new ATOM 0 HA ILE A 23 2.594 3.222 -3.365 1.00 9.92 H new ATOM 0 HB ILE A 23 1.760 6.046 -2.871 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.082 5.414 -2.196 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.094 5.927 -0.843 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.639 5.400 -0.781 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.175 4.824 -2.255 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.779 3.694 -1.265 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.578 4.074 -0.190 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.878 3.559 -0.085 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.882 3.038 -1.459 1.00 12.30 H new ATOM 372 N GLU A 24 0.551 4.780 -5.407 1.00 9.54 N ATOM 373 CA GLU A 24 -0.499 4.607 -6.402 1.00 11.81 C ATOM 374 C GLU A 24 -0.217 3.366 -7.275 1.00 11.14 C ATOM 375 O GLU A 24 -1.138 2.597 -7.612 1.00 10.62 O ATOM 376 CB GLU A 24 -0.576 5.920 -7.226 1.00 19.24 C ATOM 377 CG GLU A 24 -1.818 6.069 -8.139 1.00 27.76 C ATOM 378 CD GLU A 24 -1.565 7.225 -9.070 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.637 7.109 -9.914 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.178 8.313 -8.931 1.00 34.80 O ATOM 0 H GLU A 24 0.998 5.694 -5.479 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.466 4.425 -5.933 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.553 6.763 -6.535 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.318 5.991 -7.846 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.989 5.153 -8.704 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.712 6.247 -7.542 1.00 27.76 H new ATOM 387 N ASN A 25 1.060 3.044 -7.687 1.00 9.43 N ATOM 388 CA ASN A 25 1.433 1.824 -8.343 1.00 10.96 C ATOM 389 C ASN A 25 1.204 0.656 -7.434 1.00 9.68 C ATOM 390 O ASN A 25 0.616 -0.335 -7.856 1.00 9.33 O ATOM 391 CB ASN A 25 2.921 1.851 -8.904 1.00 16.78 C ATOM 392 CG ASN A 25 3.057 2.805 -10.061 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.721 3.844 -9.976 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.424 2.416 -11.173 1.00 24.70 N ATOM 0 H ASN A 25 1.850 3.674 -7.547 1.00 9.43 H new ATOM 0 HA ASN A 25 0.791 1.716 -9.217 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.606 2.143 -8.108 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.210 0.849 -9.221 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.474 2.989 -12.015 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.891 1.546 -11.179 1.00 24.70 H new ATOM 401 N VAL A 26 1.614 0.685 -6.187 1.00 6.52 N ATOM 402 CA VAL A 26 1.475 -0.473 -5.240 1.00 5.53 C ATOM 403 C VAL A 26 -0.009 -0.797 -4.969 1.00 4.42 C ATOM 404 O VAL A 26 -0.468 -1.921 -4.890 1.00 3.40 O ATOM 405 CB VAL A 26 2.124 -0.140 -3.854 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.858 -1.277 -2.816 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.636 -0.037 -4.041 1.00 8.12 C ATOM 0 H VAL A 26 2.060 1.501 -5.768 1.00 6.52 H new ATOM 0 HA VAL A 26 1.973 -1.320 -5.711 1.00 5.53 H new ATOM 0 HB VAL A 26 1.691 0.791 -3.488 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.321 -1.016 -1.864 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.784 -1.398 -2.676 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.283 -2.211 -3.183 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.106 0.195 -3.085 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.022 -0.986 -4.415 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.861 0.753 -4.757 1.00 8.12 H new ATOM 417 N LYS A 27 -0.876 0.236 -4.829 1.00 2.64 N ATOM 418 CA LYS A 27 -2.316 0.047 -4.643 1.00 4.14 C ATOM 419 C LYS A 27 -2.920 -0.565 -5.816 1.00 5.58 C ATOM 420 O LYS A 27 -3.873 -1.344 -5.666 1.00 4.11 O ATOM 421 CB LYS A 27 -3.087 1.349 -4.307 1.00 3.97 C ATOM 422 CG LYS A 27 -2.617 1.954 -2.968 1.00 7.45 C ATOM 423 CD LYS A 27 -3.341 3.220 -2.477 1.00 9.02 C ATOM 424 CE LYS A 27 -3.430 4.447 -3.481 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.433 5.414 -3.079 1.00 15.47 N ATOM 0 H LYS A 27 -0.588 1.214 -4.843 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.401 -0.613 -3.780 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.942 2.076 -5.107 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.155 1.138 -4.257 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.715 1.189 -2.198 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.555 2.184 -3.055 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.356 2.940 -2.197 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.843 3.562 -1.570 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.458 4.937 -3.539 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.662 4.080 -4.481 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -5.224 5.395 -3.754 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.783 5.176 -2.129 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.012 6.365 -3.065 1.00 15.47 H new ATOM 439 N ALA A 28 -2.334 -0.350 -7.031 1.00 6.61 N ATOM 440 CA ALA A 28 -2.843 -1.077 -8.214 1.00 7.74 C ATOM 441 C ALA A 28 -2.574 -2.599 -8.193 1.00 9.17 C ATOM 442 O ALA A 28 -3.348 -3.424 -8.691 1.00 11.45 O ATOM 443 CB ALA A 28 -2.273 -0.378 -9.473 1.00 7.68 C ATOM 0 H ALA A 28 -1.554 0.284 -7.205 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.932 -1.026 -8.215 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.630 -0.890 -10.367 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.604 0.660 -9.494 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.184 -0.411 -9.446 1.00 7.68 H new ATOM 449 N LYS A 29 -1.438 -3.015 -7.584 1.00 8.96 N ATOM 450 CA LYS A 29 -1.120 -4.389 -7.254 1.00 7.90 C ATOM 451 C LYS A 29 -2.132 -4.919 -6.160 1.00 6.92 C ATOM 452 O LYS A 29 -2.423 -6.152 -6.189 1.00 6.87 O ATOM 453 CB LYS A 29 0.321 -4.455 -6.801 1.00 10.28 C ATOM 454 CG LYS A 29 1.316 -3.780 -7.751 1.00 14.94 C ATOM 455 CD LYS A 29 2.807 -3.932 -7.391 1.00 19.69 C ATOM 456 CE LYS A 29 3.804 -3.107 -8.202 1.00 22.63 C ATOM 457 NZ LYS A 29 3.793 -3.314 -9.610 1.00 24.98 N ATOM 0 H LYS A 29 -0.703 -2.364 -7.307 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.227 -5.038 -8.123 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.402 -3.989 -5.819 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.604 -5.501 -6.682 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.162 -4.183 -8.752 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.080 -2.717 -7.796 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.930 -3.673 -6.339 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.075 -4.984 -7.494 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.612 -2.051 -8.009 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.807 -3.321 -7.832 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.507 -2.704 -10.056 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.011 -4.310 -9.816 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.853 -3.080 -9.988 1.00 24.98 H new ATOM 471 N ILE A 30 -2.587 -4.134 -5.174 1.00 4.57 N ATOM 472 CA ILE A 30 -3.767 -4.578 -4.373 1.00 5.58 C ATOM 473 C ILE A 30 -5.022 -4.828 -5.186 1.00 7.26 C ATOM 474 O ILE A 30 -5.763 -5.760 -4.871 1.00 9.46 O ATOM 475 CB ILE A 30 -3.963 -3.683 -3.156 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.654 -3.558 -2.357 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.170 -4.140 -2.305 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.758 -2.734 -1.104 1.00 2.00 C ATOM 0 H ILE A 30 -2.190 -3.232 -4.910 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.537 -5.574 -3.995 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.212 -2.678 -3.496 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.310 -4.557 -2.091 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.892 -3.120 -3.001 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.280 -3.479 -1.445 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.076 -4.103 -2.910 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.006 -5.161 -1.959 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.788 -2.702 -0.608 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.068 -1.721 -1.360 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.493 -3.181 -0.435 1.00 2.00 H new ATOM 490 N GLN A 31 -5.322 -3.988 -6.218 1.00 7.06 N ATOM 491 CA GLN A 31 -6.449 -4.193 -7.145 1.00 8.67 C ATOM 492 C GLN A 31 -6.336 -5.416 -7.854 1.00 10.90 C ATOM 493 O GLN A 31 -7.223 -6.274 -7.764 1.00 9.63 O ATOM 494 CB GLN A 31 -6.539 -3.042 -8.169 1.00 9.12 C ATOM 495 CG GLN A 31 -7.730 -3.033 -9.107 1.00 10.76 C ATOM 496 CD GLN A 31 -7.716 -1.785 -10.030 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.712 -1.049 -10.020 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.640 -1.526 -10.790 1.00 14.76 N ATOM 0 H GLN A 31 -4.779 -3.149 -6.422 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.350 -4.219 -6.532 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.537 -2.101 -7.619 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.633 -3.059 -8.775 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.722 -3.937 -9.716 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.652 -3.047 -8.526 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -5.838 -2.156 -10.771 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.624 -0.699 -11.386 1.00 14.76 H new ATOM 507 N ASP A 32 -5.224 -5.667 -8.464 1.00 10.93 N ATOM 508 CA ASP A 32 -5.001 -7.004 -9.097 1.00 14.01 C ATOM 509 C ASP A 32 -5.176 -8.215 -8.172 1.00 14.04 C ATOM 510 O ASP A 32 -5.687 -9.237 -8.634 1.00 13.39 O ATOM 511 CB ASP A 32 -3.598 -7.085 -9.717 1.00 18.01 C ATOM 512 CG ASP A 32 -3.574 -6.570 -11.141 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.346 -7.088 -11.998 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.852 -5.562 -11.437 1.00 26.29 O ATOM 0 H ASP A 32 -4.451 -5.009 -8.558 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.787 -7.066 -9.850 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -2.900 -6.507 -9.111 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.254 -8.119 -9.700 1.00 18.01 H new ATOM 519 N LYS A 33 -4.795 -8.084 -6.941 1.00 14.22 N ATOM 520 CA LYS A 33 -5.048 -9.070 -5.935 1.00 14.00 C ATOM 521 C LYS A 33 -6.431 -9.252 -5.433 1.00 12.37 C ATOM 522 O LYS A 33 -6.919 -10.387 -5.426 1.00 12.17 O ATOM 523 CB LYS A 33 -4.095 -8.894 -4.729 1.00 18.62 C ATOM 524 CG LYS A 33 -2.619 -9.329 -4.992 1.00 24.00 C ATOM 525 CD LYS A 33 -2.481 -10.828 -4.966 1.00 27.61 C ATOM 526 CE LYS A 33 -1.024 -11.309 -4.769 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.125 -12.715 -4.623 1.00 30.06 N ATOM 0 H LYS A 33 -4.287 -7.269 -6.598 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.859 -9.986 -6.494 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.102 -7.846 -4.428 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.484 -9.469 -3.889 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.291 -8.948 -5.959 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.967 -8.888 -4.238 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.099 -11.228 -4.163 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.867 -11.237 -5.900 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.401 -11.043 -5.623 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.572 -10.851 -3.889 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.177 -13.119 -4.485 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.719 -12.937 -3.799 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.553 -13.123 -5.478 1.00 30.06 H new ATOM 541 N GLU A 34 -7.133 -8.189 -4.993 1.00 10.11 N ATOM 542 CA GLU A 34 -8.362 -8.262 -4.202 1.00 10.07 C ATOM 543 C GLU A 34 -9.598 -7.735 -4.842 1.00 9.32 C ATOM 544 O GLU A 34 -10.725 -7.707 -4.280 1.00 11.61 O ATOM 545 CB GLU A 34 -8.059 -7.516 -2.930 1.00 14.77 C ATOM 546 CG GLU A 34 -7.068 -8.276 -2.022 1.00 18.75 C ATOM 547 CD GLU A 34 -7.655 -9.541 -1.433 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.691 -9.514 -0.677 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.028 -10.592 -1.678 1.00 25.19 O ATOM 0 H GLU A 34 -6.846 -7.230 -5.188 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.608 -9.314 -4.055 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.645 -6.538 -3.176 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.987 -7.342 -2.385 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.178 -8.529 -2.597 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.749 -7.619 -1.213 1.00 18.75 H new ATOM 556 N GLY A 35 -9.461 -7.204 -6.068 1.00 7.22 N ATOM 557 CA GLY A 35 -10.567 -6.596 -6.849 1.00 6.29 C ATOM 558 C GLY A 35 -10.830 -5.142 -6.462 1.00 6.93 C ATOM 559 O GLY A 35 -11.863 -4.635 -6.858 1.00 7.41 O ATOM 0 H GLY A 35 -8.567 -7.181 -6.558 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.328 -6.648 -7.911 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.476 -7.178 -6.698 1.00 6.29 H new ATOM 563 N ILE A 36 -10.002 -4.443 -5.692 1.00 5.86 N ATOM 564 CA ILE A 36 -10.377 -3.179 -5.019 1.00 6.07 C ATOM 565 C ILE A 36 -9.733 -1.964 -5.744 1.00 6.36 C ATOM 566 O ILE A 36 -8.568 -1.936 -5.961 1.00 6.18 O ATOM 567 CB ILE A 36 -9.772 -3.104 -3.567 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.378 -4.226 -2.754 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.190 -1.805 -2.877 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.673 -4.374 -1.401 1.00 9.49 C ATOM 0 H ILE A 36 -9.041 -4.731 -5.509 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.467 -3.153 -5.020 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.686 -3.166 -3.636 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.439 -4.031 -2.595 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.305 -5.161 -3.309 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.762 -1.771 -1.875 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.829 -0.954 -3.454 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.277 -1.763 -2.809 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.131 -5.188 -0.839 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.618 -4.593 -1.563 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.769 -3.446 -0.837 1.00 9.49 H new ATOM 582 N PRO A 37 -10.511 -0.965 -6.216 1.00 8.65 N ATOM 583 CA PRO A 37 -10.010 0.269 -6.794 1.00 9.18 C ATOM 584 C PRO A 37 -8.889 0.964 -6.021 1.00 9.85 C ATOM 585 O PRO A 37 -9.153 0.971 -4.804 1.00 8.51 O ATOM 586 CB PRO A 37 -11.232 1.187 -6.907 1.00 11.42 C ATOM 587 CG PRO A 37 -12.432 0.276 -6.788 1.00 9.27 C ATOM 588 CD PRO A 37 -11.973 -0.966 -6.059 1.00 8.33 C ATOM 0 HA PRO A 37 -9.539 0.035 -7.749 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.231 1.940 -6.119 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.236 1.720 -7.858 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.237 0.768 -6.242 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.823 0.023 -7.773 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.259 -0.938 -5.008 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.418 -1.865 -6.487 1.00 8.33 H new ATOM 596 N PRO A 38 -7.796 1.535 -6.562 1.00 8.71 N ATOM 597 CA PRO A 38 -6.732 2.162 -5.777 1.00 9.08 C ATOM 598 C PRO A 38 -7.215 3.450 -5.192 1.00 9.28 C ATOM 599 O PRO A 38 -6.521 4.087 -4.384 1.00 6.50 O ATOM 600 CB PRO A 38 -5.610 2.442 -6.742 1.00 10.31 C ATOM 601 CG PRO A 38 -6.168 2.299 -8.158 1.00 10.81 C ATOM 602 CD PRO A 38 -7.360 1.375 -7.981 1.00 12.00 C ATOM 0 HA PRO A 38 -6.414 1.517 -4.958 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.214 3.445 -6.587 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.786 1.746 -6.583 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.466 3.263 -8.571 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.430 1.875 -8.839 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.164 1.639 -8.668 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.087 0.341 -8.191 1.00 12.00 H new ATOM 610 N ASP A 39 -8.355 3.978 -5.676 1.00 11.20 N ATOM 611 CA ASP A 39 -8.924 5.214 -5.201 1.00 14.96 C ATOM 612 C ASP A 39 -9.989 4.965 -4.040 1.00 13.99 C ATOM 613 O ASP A 39 -10.567 5.814 -3.371 1.00 13.75 O ATOM 614 CB ASP A 39 -9.507 5.994 -6.288 1.00 24.16 C ATOM 615 CG ASP A 39 -8.420 6.542 -7.227 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.488 7.154 -6.708 1.00 35.55 O ATOM 617 OD2 ASP A 39 -8.506 6.253 -8.450 1.00 34.22 O ATOM 0 H ASP A 39 -8.900 3.538 -6.418 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.106 5.797 -4.779 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.200 5.372 -6.854 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.085 6.821 -5.876 1.00 24.16 H new ATOM 622 N GLN A 40 -10.102 3.673 -3.633 1.00 11.60 N ATOM 623 CA GLN A 40 -10.805 3.324 -2.381 1.00 10.76 C ATOM 624 C GLN A 40 -9.824 2.885 -1.245 1.00 8.01 C ATOM 625 O GLN A 40 -10.160 2.756 -0.141 1.00 8.96 O ATOM 626 CB GLN A 40 -11.691 2.056 -2.645 1.00 11.14 C ATOM 627 CG GLN A 40 -12.904 1.777 -1.705 1.00 14.85 C ATOM 628 CD GLN A 40 -13.479 0.398 -1.912 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.192 -0.579 -1.177 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.342 0.326 -2.953 1.00 18.16 N ATOM 0 H GLN A 40 -9.723 2.876 -4.144 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.364 4.210 -2.081 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.072 2.126 -3.664 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.038 1.184 -2.609 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.590 1.886 -0.667 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.679 2.523 -1.883 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.535 1.156 -3.514 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.799 -0.558 -3.176 1.00 18.16 H new ATOM 639 N GLN A 41 -8.514 2.765 -1.559 1.00 6.52 N ATOM 640 CA GLN A 41 -7.552 2.272 -0.635 1.00 3.87 C ATOM 641 C GLN A 41 -6.596 3.350 -0.151 1.00 4.79 C ATOM 642 O GLN A 41 -6.143 4.225 -0.836 1.00 6.34 O ATOM 643 CB GLN A 41 -6.584 1.343 -1.406 1.00 4.20 C ATOM 644 CG GLN A 41 -7.209 -0.002 -1.897 1.00 3.20 C ATOM 645 CD GLN A 41 -6.159 -0.571 -2.878 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.044 -0.663 -2.461 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.521 -0.968 -4.110 1.00 7.13 N ATOM 0 H GLN A 41 -8.127 3.016 -2.469 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.120 1.824 0.180 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.197 1.883 -2.270 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.733 1.117 -0.764 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.389 -0.684 -1.066 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.168 0.160 -2.390 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.489 -0.866 -4.415 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.828 -1.371 -4.740 1.00 7.13 H new ATOM 656 N ARG A 42 -6.301 3.255 1.150 1.00 5.73 N ATOM 657 CA ARG A 42 -5.238 4.010 1.849 1.00 6.97 C ATOM 658 C ARG A 42 -4.168 3.044 2.526 1.00 7.15 C ATOM 659 O ARG A 42 -4.584 2.145 3.248 1.00 7.33 O ATOM 660 CB ARG A 42 -5.845 4.850 2.922 1.00 13.23 C ATOM 661 CG ARG A 42 -6.659 5.997 2.326 1.00 21.27 C ATOM 662 CD ARG A 42 -6.913 7.094 3.343 1.00 26.14 C ATOM 663 NE ARG A 42 -7.216 8.312 2.513 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.391 8.883 2.522 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.445 8.682 3.335 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.618 9.919 1.670 1.00 36.39 N ATOM 0 H ARG A 42 -6.811 2.629 1.774 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.734 4.625 1.103 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.486 4.234 3.552 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.060 5.251 3.562 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.129 6.412 1.468 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.611 5.615 1.958 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.747 6.843 3.999 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.043 7.254 3.980 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.481 8.704 1.925 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.388 7.991 4.083 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.301 9.221 3.203 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.879 10.234 1.042 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.528 10.380 1.659 1.00 36.39 H new ATOM 680 N LEU A 43 -2.860 3.399 2.371 1.00 4.65 N ATOM 681 CA LEU A 43 -1.747 2.541 2.830 1.00 3.51 C ATOM 682 C LEU A 43 -1.047 3.222 3.987 1.00 5.56 C ATOM 683 O LEU A 43 -0.789 4.446 3.974 1.00 4.19 O ATOM 684 CB LEU A 43 -0.757 2.188 1.697 1.00 3.74 C ATOM 685 CG LEU A 43 -1.436 1.221 0.655 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.426 1.066 -0.491 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.811 -0.140 1.309 1.00 6.41 C ATOM 0 H LEU A 43 -2.560 4.270 1.933 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.162 1.589 3.162 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.428 3.099 1.197 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.131 1.715 2.116 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.378 1.623 0.282 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.838 0.403 -1.252 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.223 2.042 -0.931 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.501 0.642 -0.104 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.278 -0.785 0.565 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.910 -0.620 1.692 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.508 0.030 2.129 1.00 6.41 H new ATOM 699 N ILE A 44 -0.643 2.463 5.059 1.00 4.58 N ATOM 700 CA ILE A 44 -0.014 2.967 6.224 1.00 5.55 C ATOM 701 C ILE A 44 1.292 2.179 6.496 1.00 5.46 C ATOM 702 O ILE A 44 1.279 1.017 6.696 1.00 6.04 O ATOM 703 CB ILE A 44 -0.850 2.796 7.494 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.151 3.688 7.213 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.123 3.136 8.850 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.948 4.119 8.473 1.00 13.90 C ATOM 0 H ILE A 44 -0.774 1.452 5.088 1.00 4.58 H new ATOM 0 HA ILE A 44 0.146 4.027 6.025 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.083 1.745 7.666 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.846 4.584 6.673 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.818 3.130 6.555 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.811 2.979 9.681 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.745 2.488 8.970 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.200 4.177 8.839 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.808 4.718 8.172 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.292 3.233 9.007 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.305 4.709 9.126 1.00 13.90 H new ATOM 718 N PHE A 45 2.485 2.846 6.578 1.00 6.75 N ATOM 719 CA PHE A 45 3.708 2.158 6.910 1.00 4.70 C ATOM 720 C PHE A 45 4.181 2.858 8.181 1.00 6.34 C ATOM 721 O PHE A 45 4.323 4.084 8.170 1.00 5.45 O ATOM 722 CB PHE A 45 4.771 2.215 5.805 1.00 5.51 C ATOM 723 CG PHE A 45 6.141 1.680 6.184 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.255 0.312 6.565 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.108 2.633 6.428 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.461 -0.063 7.194 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.315 2.240 7.104 1.00 6.64 C ATOM 728 CZ PHE A 45 8.419 0.901 7.436 1.00 6.84 C ATOM 0 H PHE A 45 2.593 3.847 6.415 1.00 6.75 H new ATOM 0 HA PHE A 45 3.538 1.089 7.039 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.406 1.653 4.945 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.881 3.251 5.485 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.462 -0.399 6.383 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.961 3.657 6.117 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.632 -1.090 7.482 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.095 2.949 7.339 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.327 0.583 7.926 1.00 6.84 H new ATOM 738 N ALA A 46 4.491 2.093 9.286 1.00 6.53 N ATOM 739 CA ALA A 46 5.124 2.593 10.423 1.00 7.15 C ATOM 740 C ALA A 46 4.345 3.660 11.144 1.00 9.00 C ATOM 741 O ALA A 46 4.859 4.604 11.747 1.00 11.15 O ATOM 742 CB ALA A 46 6.553 3.058 10.119 1.00 8.99 C ATOM 0 H ALA A 46 4.276 1.098 9.347 1.00 6.53 H new ATOM 0 HA ALA A 46 5.175 1.750 11.113 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.013 3.441 11.030 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.137 2.218 9.743 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.527 3.847 9.367 1.00 8.99 H new ATOM 748 N GLY A 47 2.992 3.562 11.171 1.00 9.35 N ATOM 749 CA GLY A 47 2.071 4.582 11.675 1.00 11.68 C ATOM 750 C GLY A 47 1.987 5.885 10.908 1.00 11.14 C ATOM 751 O GLY A 47 1.291 6.779 11.331 1.00 13.93 O ATOM 0 H GLY A 47 2.506 2.734 10.827 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.072 4.147 11.710 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.354 4.813 12.702 1.00 11.68 H new ATOM 755 N LYS A 48 2.693 6.008 9.728 1.00 10.47 N ATOM 756 CA LYS A 48 2.535 7.176 8.813 1.00 8.82 C ATOM 757 C LYS A 48 1.813 6.739 7.546 1.00 7.68 C ATOM 758 O LYS A 48 2.114 5.754 6.887 1.00 6.47 O ATOM 759 CB LYS A 48 3.995 7.696 8.447 1.00 9.74 C ATOM 760 CG LYS A 48 4.000 9.124 7.873 1.00 14.14 C ATOM 761 CD LYS A 48 5.349 9.478 7.279 1.00 16.32 C ATOM 762 CE LYS A 48 6.630 9.363 8.190 1.00 20.04 C ATOM 763 NZ LYS A 48 6.577 10.315 9.331 1.00 23.92 N ATOM 0 H LYS A 48 3.366 5.315 9.402 1.00 10.47 H new ATOM 0 HA LYS A 48 1.953 7.965 9.289 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.619 7.668 9.340 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.445 7.018 7.722 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.229 9.212 7.107 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.750 9.835 8.660 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.504 8.841 6.408 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.292 10.505 6.917 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.718 8.345 8.569 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.521 9.559 7.593 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.435 10.212 9.909 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.518 11.288 8.969 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 5.740 10.112 9.914 1.00 23.92 H new ATOM 777 N GLN A 49 0.770 7.519 7.233 1.00 8.89 N ATOM 778 CA GLN A 49 0.037 7.337 6.018 1.00 7.18 C ATOM 779 C GLN A 49 0.812 7.742 4.784 1.00 8.23 C ATOM 780 O GLN A 49 1.524 8.755 4.744 1.00 9.70 O ATOM 781 CB GLN A 49 -1.227 8.130 6.135 1.00 11.67 C ATOM 782 CG GLN A 49 -2.418 7.496 5.343 1.00 15.82 C ATOM 783 CD GLN A 49 -3.671 8.375 5.491 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.123 8.597 6.583 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.217 8.850 4.352 1.00 20.67 N ATOM 0 H GLN A 49 0.430 8.280 7.821 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.170 6.275 5.890 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.501 8.215 7.187 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.051 9.141 5.769 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.154 7.397 4.290 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.621 6.492 5.716 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.791 8.630 3.452 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.056 9.429 4.391 1.00 20.67 H new ATOM 794 N LEU A 50 0.692 6.939 3.722 1.00 6.51 N ATOM 795 CA LEU A 50 1.430 7.049 2.530 1.00 7.41 C ATOM 796 C LEU A 50 0.627 7.705 1.436 1.00 8.27 C ATOM 797 O LEU A 50 -0.421 7.266 0.972 1.00 8.34 O ATOM 798 CB LEU A 50 1.924 5.678 2.015 1.00 7.13 C ATOM 799 CG LEU A 50 2.515 4.888 3.204 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.929 3.449 2.693 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.755 5.495 3.875 1.00 9.11 C ATOM 0 H LEU A 50 0.031 6.162 3.704 1.00 6.51 H new ATOM 0 HA LEU A 50 2.292 7.668 2.777 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.100 5.124 1.565 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.678 5.814 1.240 1.00 7.13 H new ATOM 0 HG LEU A 50 1.726 4.891 3.956 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.349 2.876 3.520 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.050 2.934 2.304 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.673 3.544 1.902 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.077 4.852 4.694 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.559 5.581 3.144 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.511 6.483 4.264 1.00 9.11 H new ATOM 813 N GLU A 51 1.073 8.898 1.000 1.00 9.43 N ATOM 814 CA GLU A 51 0.598 9.583 -0.177 1.00 11.90 C ATOM 815 C GLU A 51 0.796 8.785 -1.474 1.00 11.49 C ATOM 816 O GLU A 51 1.814 8.124 -1.741 1.00 9.88 O ATOM 817 CB GLU A 51 1.231 11.013 -0.316 1.00 16.56 C ATOM 818 CG GLU A 51 1.219 11.765 1.043 1.00 26.06 C ATOM 819 CD GLU A 51 -0.111 12.431 1.328 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.788 13.007 0.425 1.00 32.13 O ATOM 821 OE2 GLU A 51 -0.514 12.396 2.501 1.00 33.44 O ATOM 0 H GLU A 51 1.802 9.416 1.490 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.477 9.688 -0.031 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.255 10.927 -0.678 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.678 11.588 -1.058 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.449 11.063 1.845 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.006 12.519 1.044 1.00 26.06 H new ATOM 828 N ASP A 52 -0.209 8.930 -2.417 1.00 12.71 N ATOM 829 CA ASP A 52 -0.399 8.168 -3.628 1.00 16.56 C ATOM 830 C ASP A 52 0.786 8.313 -4.534 1.00 15.83 C ATOM 831 O ASP A 52 1.332 7.365 -5.162 1.00 17.21 O ATOM 832 CB ASP A 52 -1.759 8.520 -4.307 1.00 21.05 C ATOM 833 CG ASP A 52 -2.907 8.377 -3.366 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.926 7.478 -2.511 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.834 9.228 -3.484 1.00 28.37 O ATOM 0 H ASP A 52 -0.933 9.640 -2.304 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.462 7.109 -3.378 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.723 9.543 -4.682 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.913 7.870 -5.168 1.00 21.05 H new ATOM 840 N GLY A 53 1.297 9.578 -4.590 1.00 15.00 N ATOM 841 CA GLY A 53 2.245 10.006 -5.604 1.00 11.77 C ATOM 842 C GLY A 53 3.642 10.014 -5.225 1.00 11.10 C ATOM 843 O GLY A 53 4.493 10.598 -5.863 1.00 11.25 O ATOM 0 H GLY A 53 1.049 10.310 -3.925 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.131 9.356 -6.472 1.00 11.77 H new ATOM 0 HA3 GLY A 53 1.973 11.013 -5.921 1.00 11.77 H new ATOM 847 N ARG A 54 4.030 9.379 -4.133 1.00 8.53 N ATOM 848 CA ARG A 54 5.408 9.277 -3.726 1.00 9.05 C ATOM 849 C ARG A 54 5.769 7.849 -3.778 1.00 8.96 C ATOM 850 O ARG A 54 4.891 6.997 -3.854 1.00 11.60 O ATOM 851 CB ARG A 54 5.537 9.631 -2.207 1.00 7.97 C ATOM 852 CG ARG A 54 5.374 11.132 -1.912 1.00 9.62 C ATOM 853 CD ARG A 54 6.196 11.989 -2.887 1.00 12.20 C ATOM 854 NE ARG A 54 6.199 13.452 -2.365 1.00 18.23 N ATOM 855 CZ ARG A 54 7.128 13.958 -1.529 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.178 13.290 -1.133 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.009 15.219 -1.095 1.00 23.38 N ATOM 0 H ARG A 54 3.381 8.914 -3.498 1.00 8.53 H new ATOM 0 HA ARG A 54 6.016 9.926 -4.356 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.785 9.075 -1.647 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.511 9.301 -1.846 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.321 11.406 -1.983 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.689 11.339 -0.889 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.215 11.610 -2.960 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.767 11.944 -3.888 1.00 12.20 H new ATOM 0 HE ARG A 54 5.449 14.070 -2.675 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.327 12.335 -1.458 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.849 13.724 -0.499 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.220 15.790 -1.397 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.708 15.609 -0.462 1.00 23.38 H new ATOM 871 N THR A 55 7.098 7.573 -3.822 1.00 9.05 N ATOM 872 CA THR A 55 7.599 6.171 -4.058 1.00 9.03 C ATOM 873 C THR A 55 7.986 5.323 -2.848 1.00 8.15 C ATOM 874 O THR A 55 8.257 5.879 -1.809 1.00 5.91 O ATOM 875 CB THR A 55 8.789 6.124 -5.056 1.00 11.15 C ATOM 876 OG1 THR A 55 9.866 6.976 -4.679 1.00 11.95 O ATOM 877 CG2 THR A 55 8.393 6.527 -6.502 1.00 11.71 C ATOM 0 H THR A 55 7.832 8.271 -3.702 1.00 9.05 H new ATOM 0 HA THR A 55 6.694 5.717 -4.462 1.00 9.03 H new ATOM 0 HB THR A 55 9.100 5.080 -5.027 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.586 6.905 -5.340 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.269 6.473 -7.148 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.627 5.846 -6.873 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.004 7.545 -6.502 1.00 11.71 H new ATOM 885 N LEU A 56 7.983 4.022 -2.962 1.00 6.91 N ATOM 886 CA LEU A 56 8.521 3.127 -1.916 1.00 8.29 C ATOM 887 C LEU A 56 9.863 3.484 -1.365 1.00 8.05 C ATOM 888 O LEU A 56 10.032 3.586 -0.158 1.00 10.17 O ATOM 889 CB LEU A 56 8.546 1.640 -2.368 1.00 6.60 C ATOM 890 CG LEU A 56 7.111 1.028 -2.622 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.256 -0.252 -3.401 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.410 0.814 -1.274 1.00 8.64 C ATOM 0 H LEU A 56 7.612 3.531 -3.775 1.00 6.91 H new ATOM 0 HA LEU A 56 7.810 3.272 -1.103 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.133 1.557 -3.282 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.055 1.047 -1.608 1.00 6.60 H new ATOM 0 HG LEU A 56 6.494 1.707 -3.210 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.271 -0.682 -3.581 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.741 -0.045 -4.355 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.861 -0.958 -2.832 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.419 0.392 -1.442 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.998 0.129 -0.663 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.315 1.769 -0.758 1.00 8.64 H new ATOM 904 N SER A 57 10.800 3.798 -2.263 1.00 8.92 N ATOM 905 CA SER A 57 12.114 4.238 -1.943 1.00 9.00 C ATOM 906 C SER A 57 12.152 5.658 -1.311 1.00 9.44 C ATOM 907 O SER A 57 13.069 5.809 -0.488 1.00 10.91 O ATOM 908 CB SER A 57 12.978 4.132 -3.232 1.00 10.32 C ATOM 909 OG SER A 57 14.309 4.479 -3.024 1.00 13.59 O ATOM 0 H SER A 57 10.633 3.742 -3.268 1.00 8.92 H new ATOM 0 HA SER A 57 12.527 3.595 -1.166 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.929 3.112 -3.612 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.555 4.779 -4.000 1.00 10.32 H new ATOM 0 HG SER A 57 14.805 4.393 -3.865 1.00 13.59 H new ATOM 915 N ASP A 58 11.237 6.576 -1.631 1.00 9.11 N ATOM 916 CA ASP A 58 11.134 7.796 -0.920 1.00 7.91 C ATOM 917 C ASP A 58 10.618 7.708 0.502 1.00 9.12 C ATOM 918 O ASP A 58 10.954 8.557 1.344 1.00 8.61 O ATOM 919 CB ASP A 58 10.230 8.701 -1.857 1.00 8.41 C ATOM 920 CG ASP A 58 10.112 10.119 -1.387 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.110 10.912 -1.486 1.00 10.05 O ATOM 922 OD2 ASP A 58 8.998 10.556 -0.934 1.00 11.70 O ATOM 0 H ASP A 58 10.563 6.470 -2.389 1.00 9.11 H new ATOM 0 HA ASP A 58 12.126 8.209 -0.737 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.645 8.694 -2.865 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.234 8.263 -1.920 1.00 8.41 H new ATOM 927 N TYR A 59 9.836 6.690 0.906 1.00 7.97 N ATOM 928 CA TYR A 59 9.516 6.473 2.333 1.00 8.45 C ATOM 929 C TYR A 59 10.601 5.614 2.946 1.00 10.98 C ATOM 930 O TYR A 59 10.586 5.214 4.104 1.00 12.95 O ATOM 931 CB TYR A 59 8.063 5.797 2.431 1.00 7.94 C ATOM 932 CG TYR A 59 7.018 6.833 2.191 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.640 7.756 3.226 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.231 6.792 1.056 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.590 8.637 3.008 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.160 7.692 0.848 1.00 6.52 C ATOM 937 CZ TYR A 59 4.812 8.616 1.869 1.00 6.76 C ATOM 938 OH TYR A 59 3.743 9.477 1.765 1.00 7.63 O ATOM 0 H TYR A 59 9.416 6.009 0.273 1.00 7.97 H new ATOM 0 HA TYR A 59 9.484 7.410 2.889 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.972 4.996 1.697 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.925 5.346 3.414 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.170 7.764 4.167 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.441 6.048 0.302 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.372 9.374 3.766 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.610 7.677 -0.081 1.00 6.52 H new ATOM 0 HH TYR A 59 3.596 9.703 0.823 1.00 7.63 H new ATOM 948 N ASN A 60 11.565 5.239 2.114 1.00 12.38 N ATOM 949 CA ASN A 60 12.714 4.348 2.423 1.00 13.94 C ATOM 950 C ASN A 60 12.262 2.952 2.952 1.00 14.16 C ATOM 951 O ASN A 60 12.953 2.378 3.824 1.00 14.26 O ATOM 952 CB ASN A 60 13.777 5.036 3.422 1.00 19.23 C ATOM 953 CG ASN A 60 14.680 5.995 2.642 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.218 7.111 2.261 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.978 5.687 2.376 1.00 24.09 N ATOM 0 H ASN A 60 11.581 5.558 1.145 1.00 12.38 H new ATOM 0 HA ASN A 60 13.224 4.182 1.474 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.252 5.577 4.209 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.380 4.270 3.909 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.568 6.352 1.875 1.00 24.09 H new ATOM 0 HD22 ASN A 60 16.362 4.791 2.678 1.00 24.09 H new ATOM 962 N ILE A 61 11.172 2.345 2.389 1.00 11.08 N ATOM 963 CA ILE A 61 10.636 0.997 2.650 1.00 11.78 C ATOM 964 C ILE A 61 11.506 -0.132 2.090 1.00 13.74 C ATOM 965 O ILE A 61 11.734 -0.256 0.881 1.00 14.60 O ATOM 966 CB ILE A 61 9.221 0.886 2.121 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.357 1.819 2.899 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.740 -0.550 2.080 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.154 2.227 2.109 1.00 11.42 C ATOM 0 H ILE A 61 10.613 2.834 1.690 1.00 11.08 H new ATOM 0 HA ILE A 61 10.639 0.871 3.733 1.00 11.78 H new ATOM 0 HB ILE A 61 9.175 1.194 1.076 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.041 1.340 3.826 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.930 2.704 3.177 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.721 -0.582 1.694 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.392 -1.134 1.430 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.760 -0.969 3.086 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.543 2.907 2.702 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.472 2.728 1.195 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.569 1.343 1.854 1.00 11.42 H new ATOM 981 N GLN A 62 12.029 -1.016 2.961 1.00 13.97 N ATOM 982 CA GLN A 62 12.733 -2.232 2.660 1.00 15.52 C ATOM 983 C GLN A 62 11.867 -3.438 2.520 1.00 13.94 C ATOM 984 O GLN A 62 10.796 -3.508 3.113 1.00 12.15 O ATOM 985 CB GLN A 62 13.850 -2.530 3.724 1.00 19.53 C ATOM 986 CG GLN A 62 14.859 -1.423 3.913 1.00 26.38 C ATOM 987 CD GLN A 62 15.953 -1.784 4.890 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.122 -1.116 5.928 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.625 -2.954 4.629 1.00 32.71 N ATOM 0 H GLN A 62 11.953 -0.867 3.967 1.00 13.97 H new ATOM 0 HA GLN A 62 13.177 -2.044 1.682 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.373 -2.735 4.683 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.378 -3.437 3.431 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.306 -1.177 2.950 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.346 -0.527 4.264 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.448 -3.461 3.762 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.301 -3.315 5.302 1.00 32.71 H new ATOM 998 N LYS A 63 12.407 -4.497 1.893 1.00 11.73 N ATOM 999 CA LYS A 63 11.726 -5.801 1.693 1.00 11.97 C ATOM 1000 C LYS A 63 11.358 -6.499 2.938 1.00 10.41 C ATOM 1001 O LYS A 63 11.927 -6.395 4.001 1.00 9.59 O ATOM 1002 CB LYS A 63 12.563 -6.768 0.760 1.00 13.73 C ATOM 1003 CG LYS A 63 13.887 -7.273 1.402 1.00 16.98 C ATOM 1004 CD LYS A 63 14.859 -7.910 0.461 1.00 20.19 C ATOM 1005 CE LYS A 63 15.655 -7.058 -0.514 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.475 -7.870 -1.408 1.00 25.97 N ATOM 0 H LYS A 63 13.348 -4.477 1.501 1.00 11.73 H new ATOM 0 HA LYS A 63 10.790 -5.540 1.198 1.00 11.97 H new ATOM 0 HB2 LYS A 63 11.946 -7.628 0.498 1.00 13.73 H new ATOM 0 HB3 LYS A 63 12.796 -6.248 -0.169 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.379 -6.430 1.888 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.640 -7.992 2.183 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.577 -8.464 1.065 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.306 -8.642 -0.128 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.971 -6.448 -1.104 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.295 -6.373 0.042 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.001 -7.249 -2.056 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.146 -8.434 -0.848 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.863 -8.506 -1.958 1.00 25.97 H new ATOM 1020 N GLU A 64 10.162 -7.216 2.862 1.00 10.04 N ATOM 1021 CA GLU A 64 9.588 -7.971 3.929 1.00 10.94 C ATOM 1022 C GLU A 64 9.141 -7.162 5.065 1.00 9.74 C ATOM 1023 O GLU A 64 8.677 -7.578 6.116 1.00 9.42 O ATOM 1024 CB GLU A 64 10.476 -9.198 4.367 1.00 18.31 C ATOM 1025 CG GLU A 64 10.824 -10.133 3.156 1.00 24.16 C ATOM 1026 CD GLU A 64 11.796 -11.232 3.451 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.750 -10.964 4.210 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.744 -12.320 2.811 1.00 32.61 O ATOM 0 H GLU A 64 9.602 -7.248 2.010 1.00 10.04 H new ATOM 0 HA GLU A 64 8.675 -8.390 3.506 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.398 -8.835 4.821 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.950 -9.773 5.129 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.900 -10.578 2.785 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.228 -9.520 2.350 1.00 24.16 H new ATOM 1035 N SER A 65 9.062 -5.818 4.856 1.00 6.85 N ATOM 1036 CA SER A 65 8.200 -4.891 5.642 1.00 6.90 C ATOM 1037 C SER A 65 6.698 -5.136 5.602 1.00 4.72 C ATOM 1038 O SER A 65 6.097 -5.652 4.636 1.00 3.91 O ATOM 1039 CB SER A 65 8.426 -3.450 5.390 1.00 7.28 C ATOM 1040 OG SER A 65 9.798 -3.071 5.488 1.00 10.56 O ATOM 0 H SER A 65 9.600 -5.344 4.130 1.00 6.85 H new ATOM 0 HA SER A 65 8.552 -5.153 6.640 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.057 -3.199 4.396 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.843 -2.867 6.103 1.00 7.28 H new ATOM 0 HG SER A 65 10.190 -3.028 4.591 1.00 10.56 H new ATOM 1046 N THR A 66 6.053 -4.805 6.732 1.00 4.48 N ATOM 1047 CA THR A 66 4.648 -4.811 7.011 1.00 3.80 C ATOM 1048 C THR A 66 4.095 -3.488 6.666 1.00 4.60 C ATOM 1049 O THR A 66 4.296 -2.492 7.318 1.00 5.33 O ATOM 1050 CB THR A 66 4.397 -5.202 8.474 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.962 -6.429 8.724 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.903 -5.348 8.755 1.00 3.40 C ATOM 0 H THR A 66 6.581 -4.496 7.548 1.00 4.48 H new ATOM 0 HA THR A 66 4.137 -5.559 6.405 1.00 3.80 H new ATOM 0 HB THR A 66 4.827 -4.420 9.100 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.803 -6.678 9.658 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.754 -5.625 9.799 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.401 -4.401 8.556 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.486 -6.122 8.111 1.00 3.40 H new ATOM 1060 N LEU A 67 3.191 -3.434 5.668 1.00 4.17 N ATOM 1061 CA LEU A 67 2.337 -2.298 5.466 1.00 3.85 C ATOM 1062 C LEU A 67 0.872 -2.635 5.945 1.00 3.80 C ATOM 1063 O LEU A 67 0.575 -3.810 6.173 1.00 5.54 O ATOM 1064 CB LEU A 67 2.239 -2.166 3.927 1.00 7.18 C ATOM 1065 CG LEU A 67 2.814 -0.880 3.376 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.285 -0.917 3.584 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.432 -0.585 1.921 1.00 11.66 C ATOM 0 H LEU A 67 3.050 -4.186 4.993 1.00 4.17 H new ATOM 0 HA LEU A 67 2.716 -1.421 5.991 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.757 -3.008 3.468 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.192 -2.237 3.634 1.00 7.18 H new ATOM 0 HG LEU A 67 2.373 -0.045 3.920 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.730 -0.001 3.196 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.500 -1.002 4.649 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.705 -1.775 3.059 1.00 8.12 H new ATOM 0 HD21 LEU A 67 2.887 0.355 1.609 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.789 -1.391 1.280 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.348 -0.508 1.838 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.049 -1.659 6.096 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.443 -1.818 6.545 1.00 4.17 C ATOM 1081 C HIS A 68 -2.346 -1.178 5.546 1.00 5.32 C ATOM 1082 O HIS A 68 -2.183 -0.069 4.998 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.725 -1.399 8.018 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.655 -1.877 8.932 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.593 -1.365 8.959 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.756 -2.914 9.811 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.288 -2.136 9.823 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.510 -3.110 10.349 1.00 16.30 N ATOM 0 H HIS A 68 0.176 -0.685 5.896 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.654 -2.887 6.583 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.801 -0.313 8.081 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.685 -1.805 8.336 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.940 -0.562 8.435 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.649 -3.475 10.044 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.331 -1.993 10.063 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.394 -1.921 5.187 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.398 -1.377 4.313 1.00 3.97 C ATOM 1098 C LEU A 69 -5.579 -0.829 5.108 1.00 5.07 C ATOM 1099 O LEU A 69 -6.154 -1.431 5.920 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.916 -2.422 3.343 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.893 -2.050 2.255 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.334 -1.048 1.228 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.463 -3.273 1.565 1.00 9.96 C ATOM 0 H LEU A 69 -3.556 -2.882 5.489 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.922 -0.570 3.755 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.047 -2.865 2.856 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.383 -3.207 3.938 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.705 -1.535 2.768 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.096 -0.831 0.479 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.052 -0.126 1.736 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.458 -1.477 0.741 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.162 -2.960 0.789 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.653 -3.847 1.115 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.985 -3.892 2.295 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.033 0.368 4.712 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.176 1.097 5.237 1.00 6.26 C ATOM 1117 C VAL A 70 -8.046 1.368 3.971 1.00 9.22 C ATOM 1118 O VAL A 70 -7.508 1.517 2.860 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.761 2.394 5.865 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.909 3.185 6.440 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.852 2.105 7.037 1.00 8.54 C ATOM 0 H VAL A 70 -5.571 0.882 3.962 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.698 0.542 6.016 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.289 2.968 5.068 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.531 4.110 6.876 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.620 3.421 5.649 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.406 2.596 7.211 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.545 3.043 7.500 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.384 1.496 7.768 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.970 1.567 6.689 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.358 1.504 4.144 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.260 1.733 3.064 1.00 16.06 C ATOM 1133 C LEU A 71 -10.986 2.994 3.221 1.00 18.09 C ATOM 1134 O LEU A 71 -10.845 3.708 4.212 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.170 0.418 2.873 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.310 -0.811 2.405 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.193 -2.078 2.252 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.698 -0.590 0.998 1.00 19.57 C ATOM 0 H LEU A 71 -9.811 1.455 5.056 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.722 1.878 2.127 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.668 0.179 3.813 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.951 0.618 2.140 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.537 -0.927 3.164 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.575 -2.915 1.927 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.654 -2.318 3.210 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.971 -1.892 1.511 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.112 -1.464 0.715 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.498 -0.439 0.273 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.053 0.289 1.016 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.913 3.264 2.279 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.428 4.569 2.091 1.00 25.83 C ATOM 1152 C ARG A 72 -13.848 4.479 1.665 1.00 27.74 C ATOM 1153 O ARG A 72 -14.258 3.649 0.893 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.553 5.254 0.921 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.985 6.743 0.649 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.016 7.302 -0.403 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.403 8.684 -0.705 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.716 9.543 -1.447 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.565 9.177 -2.028 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.253 10.742 -1.737 1.00 35.02 N ATOM 0 H ARG A 72 -12.302 2.564 1.647 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.376 5.152 3.010 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.499 5.228 1.196 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.658 4.674 0.004 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -13.013 6.788 0.290 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.942 7.331 1.566 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.992 7.268 -0.031 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.047 6.694 -1.307 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.282 9.016 -0.308 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.209 8.230 -1.902 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.045 9.846 -2.596 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -12.180 10.984 -1.387 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.733 11.409 -2.307 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.773 5.337 2.211 1.00 28.93 N ATOM 1175 CA LEU A 73 -16.167 5.303 1.790 1.00 30.76 C ATOM 1176 C LEU A 73 -16.364 5.902 0.382 1.00 32.18 C ATOM 1177 O LEU A 73 -15.595 6.778 -0.012 1.00 32.31 O ATOM 1178 CB LEU A 73 -17.005 6.047 2.854 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.896 5.446 4.232 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.586 6.410 5.234 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -17.480 4.060 4.424 1.00 29.11 C ATOM 0 H LEU A 73 -14.559 6.034 2.924 1.00 28.93 H new ATOM 0 HA LEU A 73 -16.500 4.268 1.715 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.685 7.088 2.894 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -18.051 6.046 2.547 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.826 5.321 4.400 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -17.520 5.997 6.240 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.089 7.380 5.207 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.634 6.532 4.959 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -17.336 3.744 5.457 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -18.546 4.079 4.196 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.979 3.358 3.757 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.429 5.501 -0.308 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.848 6.105 -1.572 1.00 35.33 C ATOM 1195 C ARG A 74 -18.137 7.577 -1.394 1.00 36.22 C ATOM 1196 O ARG A 74 -17.868 8.341 -2.319 1.00 36.70 O ATOM 1197 CB ARG A 74 -19.128 5.513 -2.221 1.00 36.91 C ATOM 1198 CG ARG A 74 -19.622 6.024 -3.635 1.00 38.62 C ATOM 1199 CD ARG A 74 -18.698 5.637 -4.787 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.784 6.780 -4.963 1.00 41.13 N ATOM 1201 CZ ARG A 74 -17.058 6.890 -6.056 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -16.883 5.905 -6.933 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -16.442 8.057 -6.271 1.00 41.93 N ATOM 0 H ARG A 74 -18.033 4.738 -0.002 1.00 33.82 H new ATOM 0 HA ARG A 74 -17.002 5.896 -2.227 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.979 4.436 -2.302 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -19.947 5.669 -1.518 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -20.617 5.623 -3.829 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -19.716 7.110 -3.606 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -18.146 4.725 -4.558 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -19.266 5.445 -5.697 1.00 39.75 H new ATOM 0 HE ARG A 74 -17.714 7.490 -4.234 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -17.325 4.999 -6.777 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -16.307 6.056 -7.761 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -16.545 8.819 -5.601 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -15.869 8.185 -7.105 1.00 41.93 H new ATOM 1217 N GLY A 75 -18.752 8.008 -0.240 1.00 36.31 N ATOM 1218 CA GLY A 75 -19.188 9.376 0.117 1.00 36.07 C ATOM 1219 C GLY A 75 -18.085 10.307 0.514 1.00 36.16 C ATOM 1220 O GLY A 75 -18.345 11.321 1.144 1.00 36.26 O ATOM 0 H GLY A 75 -18.964 7.348 0.508 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -19.718 9.806 -0.733 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -19.902 9.311 0.938 1.00 36.07 H new ATOM 1224 N GLY A 76 -16.832 10.005 0.263 1.00 36.05 N ATOM 1225 CA GLY A 76 -15.740 10.960 0.567 1.00 36.19 C ATOM 1226 C GLY A 76 -14.442 10.599 -0.218 1.00 36.20 C ATOM 1227 O GLY A 76 -13.910 11.451 -0.986 1.00 0.00 O ATOM 1228 OXT GLY A 76 -13.989 9.384 -0.158 1.00 0.00 O ATOM 0 H GLY A 76 -16.525 9.122 -0.146 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -16.055 11.971 0.309 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -15.535 10.953 1.637 1.00 36.19 H new TER 1232 GLY A 76