USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 586 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 180:sc= 0.833 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.841 K(o=1.7,f=0.86) USER MOD Single : A 1 MET CE :methyl 174:sc= 0 (180deg=-0.072) USER MOD Single : A 1 MET N :NH3+ 167:sc= 0.982 (180deg=0.735) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.052) USER MOD Single : A 6 LYS NZ :NH3+ 166:sc= 1.14 (180deg=0.982) USER MOD Single : A 7 THR OG1 : rot -65:sc= 0.422 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00923 USER MOD Single : A 11 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00355) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -145:sc= 1.42 (180deg=0.982) USER MOD Single : A 29 LYS NZ :NH3+ -164:sc= -0.0133 (180deg=-0.226) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.61) 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) USER MOD Single : A 41 GLN : amide:sc= 1.12 K(o=1.1,f=-6.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.11 K(o=-0.11,f=-0.62) USER MOD Single : A 55 THR OG1 : rot -18:sc= 1.29 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.52 USER MOD Single : A 60 ASN : amide:sc= -0.204 X(o=-0.2,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -165:sc= -0.0514 (180deg=-0.275) USER MOD Single : A 65 SER OG : rot -115:sc= 0.087 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.136 K(o=0.14,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.900 -7.524 -5.036 1.00 9.67 N ATOM 2 CA MET A 1 11.724 -7.990 -3.578 1.00 10.38 C ATOM 3 C MET A 1 10.238 -8.119 -3.159 1.00 9.62 C ATOM 4 O MET A 1 9.335 -7.755 -3.922 1.00 9.62 O ATOM 5 CB MET A 1 12.592 -7.093 -2.641 1.00 13.77 C ATOM 6 CG MET A 1 12.114 -5.663 -2.589 1.00 16.29 C ATOM 7 SD MET A 1 10.888 -5.237 -1.315 1.00 17.17 S ATOM 8 CE MET A 1 10.949 -3.442 -1.604 1.00 16.11 C ATOM 0 H1 MET A 1 12.889 -7.245 -5.194 1.00 9.67 H new ATOM 0 H2 MET A 1 11.652 -8.301 -5.681 1.00 9.67 H new ATOM 0 H3 MET A 1 11.278 -6.711 -5.218 1.00 9.67 H new ATOM 0 HA MET A 1 12.095 -9.010 -3.481 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.582 -7.511 -1.634 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.627 -7.113 -2.984 1.00 13.77 H new ATOM 0 HG2 MET A 1 12.984 -5.022 -2.447 1.00 16.29 H new ATOM 0 HG3 MET A 1 11.690 -5.414 -3.562 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.187 -2.950 -0.999 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.933 -3.062 -1.328 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.764 -3.237 -2.658 1.00 16.11 H new ATOM 20 N GLN A 2 9.969 -8.686 -1.927 1.00 9.27 N ATOM 21 CA GLN A 2 8.596 -8.928 -1.478 1.00 9.07 C ATOM 22 C GLN A 2 8.285 -8.094 -0.332 1.00 8.72 C ATOM 23 O GLN A 2 9.112 -7.887 0.582 1.00 8.22 O ATOM 24 CB GLN A 2 8.545 -10.491 -1.135 1.00 14.46 C ATOM 25 CG GLN A 2 7.169 -10.988 -0.786 1.00 17.01 C ATOM 26 CD GLN A 2 7.142 -12.532 -0.627 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.044 -13.012 0.528 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.260 -13.266 -1.736 1.00 19.49 N ATOM 0 H GLN A 2 10.687 -8.969 -1.260 1.00 9.27 H new ATOM 0 HA GLN A 2 7.850 -8.673 -2.231 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.919 -11.054 -1.990 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.217 -10.693 -0.301 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.837 -10.520 0.141 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.466 -10.689 -1.563 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.335 -12.809 -2.645 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.275 -14.284 -1.675 1.00 19.49 H new ATOM 37 N ILE A 3 7.007 -7.741 -0.258 1.00 5.87 N ATOM 38 CA ILE A 3 6.394 -7.012 0.868 1.00 5.07 C ATOM 39 C ILE A 3 5.038 -7.693 1.221 1.00 4.01 C ATOM 40 O ILE A 3 4.596 -8.681 0.625 1.00 4.61 O ATOM 41 CB ILE A 3 6.184 -5.579 0.560 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.306 -5.314 -0.703 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.580 -4.944 0.355 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.618 -3.980 -0.740 1.00 10.83 C ATOM 0 H ILE A 3 6.340 -7.957 -0.999 1.00 5.87 H new ATOM 0 HA ILE A 3 7.075 -7.054 1.718 1.00 5.07 H new ATOM 0 HB ILE A 3 5.637 -5.139 1.394 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.936 -5.404 -1.588 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.550 -6.096 -0.770 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.468 -3.884 0.125 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.169 -5.057 1.265 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.089 -5.442 -0.470 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.035 -3.897 -1.657 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.956 -3.888 0.121 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.363 -3.185 -0.710 1.00 10.83 H new ATOM 56 N PHE A 4 4.357 -7.142 2.207 1.00 4.55 N ATOM 57 CA PHE A 4 3.213 -7.714 2.888 1.00 4.68 C ATOM 58 C PHE A 4 2.316 -6.510 3.157 1.00 5.30 C ATOM 59 O PHE A 4 2.796 -5.424 3.466 1.00 5.58 O ATOM 60 CB PHE A 4 3.504 -8.471 4.243 1.00 4.83 C ATOM 61 CG PHE A 4 4.410 -9.615 3.975 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.041 -10.773 3.268 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.718 -9.537 4.594 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.909 -11.870 3.173 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.549 -10.668 4.507 1.00 10.61 C ATOM 66 CZ PHE A 4 6.171 -11.745 3.756 1.00 8.90 C ATOM 0 H PHE A 4 4.604 -6.224 2.577 1.00 4.55 H new ATOM 0 HA PHE A 4 2.785 -8.496 2.261 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.959 -7.791 4.963 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.572 -8.825 4.684 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.073 -10.818 2.790 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.043 -8.642 5.104 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.612 -12.777 2.668 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.490 -10.685 5.036 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.886 -12.541 3.606 1.00 8.90 H new ATOM 76 N VAL A 5 0.979 -6.763 2.974 1.00 4.44 N ATOM 77 CA VAL A 5 -0.065 -5.822 3.195 1.00 3.87 C ATOM 78 C VAL A 5 -1.097 -6.489 4.055 1.00 4.93 C ATOM 79 O VAL A 5 -1.598 -7.546 3.698 1.00 6.84 O ATOM 80 CB VAL A 5 -0.740 -5.436 1.841 1.00 2.99 C ATOM 81 CG1 VAL A 5 -2.039 -4.669 2.004 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.280 -4.591 1.082 1.00 9.13 C ATOM 0 H VAL A 5 0.635 -7.670 2.658 1.00 4.44 H new ATOM 0 HA VAL A 5 0.339 -4.925 3.664 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.014 -6.345 1.306 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.449 -4.436 1.022 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.753 -5.276 2.561 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.849 -3.743 2.547 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.139 -4.290 0.122 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.523 -3.703 1.666 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.185 -5.175 0.916 1.00 9.13 H new ATOM 92 N LYS A 6 -1.368 -5.904 5.245 1.00 6.04 N ATOM 93 CA LYS A 6 -2.135 -6.536 6.279 1.00 6.12 C ATOM 94 C LYS A 6 -3.363 -5.651 6.434 1.00 6.57 C ATOM 95 O LYS A 6 -3.279 -4.429 6.512 1.00 5.76 O ATOM 96 CB LYS A 6 -1.319 -6.676 7.605 1.00 7.45 C ATOM 97 CG LYS A 6 -1.831 -7.783 8.590 1.00 11.12 C ATOM 98 CD LYS A 6 -0.784 -8.141 9.688 1.00 14.54 C ATOM 99 CE LYS A 6 -1.185 -9.086 10.794 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.593 -10.420 10.212 1.00 20.55 N ATOM 0 H LYS A 6 -1.044 -4.969 5.491 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.409 -7.560 6.027 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.280 -6.889 7.353 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.331 -5.717 8.123 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.750 -7.442 9.067 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.079 -8.681 8.024 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.086 -8.568 9.188 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.460 -7.209 10.151 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.355 -9.221 11.487 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.011 -8.661 11.365 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.638 -11.130 10.970 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.527 -10.332 9.764 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.895 -10.717 9.501 1.00 20.55 H new ATOM 114 N THR A 7 -4.503 -6.237 6.681 1.00 7.41 N ATOM 115 CA THR A 7 -5.814 -5.705 6.525 1.00 7.48 C ATOM 116 C THR A 7 -6.582 -5.613 7.816 1.00 8.75 C ATOM 117 O THR A 7 -6.104 -6.046 8.862 1.00 8.58 O ATOM 118 CB THR A 7 -6.622 -6.424 5.496 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.025 -7.714 5.870 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.860 -6.611 4.137 1.00 9.17 C ATOM 0 H THR A 7 -4.530 -7.195 7.031 1.00 7.41 H new ATOM 0 HA THR A 7 -5.647 -4.688 6.169 1.00 7.48 H new ATOM 0 HB THR A 7 -7.488 -5.771 5.391 1.00 9.61 H new ATOM 0 HG1 THR A 7 -6.237 -8.288 5.967 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.500 -7.140 3.431 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.599 -5.635 3.729 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.951 -7.188 4.306 1.00 9.17 H new ATOM 128 N LEU A 8 -7.736 -4.995 7.768 1.00 9.84 N ATOM 129 CA LEU A 8 -8.558 -4.613 8.922 1.00 14.15 C ATOM 130 C LEU A 8 -9.011 -5.786 9.788 1.00 17.37 C ATOM 131 O LEU A 8 -9.006 -5.754 11.046 1.00 17.01 O ATOM 132 CB LEU A 8 -9.844 -3.854 8.630 1.00 16.63 C ATOM 133 CG LEU A 8 -9.617 -2.649 7.715 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.960 -1.975 7.387 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.681 -1.595 8.361 1.00 18.59 C ATOM 0 H LEU A 8 -8.162 -4.724 6.882 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.844 -3.963 9.427 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.563 -4.529 8.165 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.284 -3.516 9.568 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.144 -3.023 6.807 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.788 -1.118 6.735 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.612 -2.689 6.883 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.434 -1.639 8.310 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.548 -0.758 7.676 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.123 -1.237 9.291 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.712 -2.049 8.571 1.00 18.59 H new ATOM 147 N THR A 9 -9.304 -6.950 9.137 1.00 18.33 N ATOM 148 CA THR A 9 -9.637 -8.184 9.821 1.00 19.24 C ATOM 149 C THR A 9 -8.387 -9.045 10.106 1.00 19.48 C ATOM 150 O THR A 9 -8.402 -10.245 10.368 1.00 23.14 O ATOM 151 CB THR A 9 -10.648 -9.060 9.117 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.088 -9.221 7.781 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.944 -8.181 8.966 1.00 19.70 C ATOM 0 H THR A 9 -9.309 -7.033 8.120 1.00 18.33 H new ATOM 0 HA THR A 9 -10.092 -7.833 10.747 1.00 19.24 H new ATOM 0 HB THR A 9 -10.859 -10.004 9.619 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.682 -9.785 7.243 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.719 -8.759 8.462 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.298 -7.883 9.953 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.714 -7.292 8.379 1.00 19.70 H new ATOM 161 N GLY A 10 -7.174 -8.488 9.960 1.00 19.43 N ATOM 162 CA GLY A 10 -5.824 -9.080 10.134 1.00 18.74 C ATOM 163 C GLY A 10 -5.306 -9.854 8.970 1.00 17.62 C ATOM 164 O GLY A 10 -4.160 -10.278 8.988 1.00 19.74 O ATOM 0 H GLY A 10 -7.100 -7.508 9.688 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.121 -8.277 10.356 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.844 -9.736 11.004 1.00 18.74 H new ATOM 168 N LYS A 11 -6.146 -10.091 7.895 1.00 13.56 N ATOM 169 CA LYS A 11 -5.713 -10.833 6.727 1.00 11.91 C ATOM 170 C LYS A 11 -4.553 -10.189 6.009 1.00 10.18 C ATOM 171 O LYS A 11 -4.451 -8.960 5.972 1.00 9.10 O ATOM 172 CB LYS A 11 -6.919 -10.997 5.815 1.00 13.43 C ATOM 173 CG LYS A 11 -6.628 -11.427 4.338 1.00 16.69 C ATOM 174 CD LYS A 11 -7.814 -11.257 3.417 1.00 17.92 C ATOM 175 CE LYS A 11 -7.719 -11.811 1.981 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.565 -13.294 1.997 1.00 21.93 N ATOM 0 H LYS A 11 -7.112 -9.766 7.849 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.335 -11.805 7.043 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.585 -11.736 6.260 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.461 -10.052 5.794 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.793 -10.840 3.955 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.316 -12.471 4.327 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.675 -11.724 3.896 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.028 -10.191 3.347 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.614 -11.539 1.421 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.872 -11.358 1.466 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.537 -13.651 1.020 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -6.681 -13.546 2.483 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.370 -13.721 2.499 1.00 21.93 H new ATOM 190 N THR A 12 -3.564 -11.026 5.577 1.00 9.63 N ATOM 191 CA THR A 12 -2.323 -10.622 4.936 1.00 9.85 C ATOM 192 C THR A 12 -2.431 -11.031 3.445 1.00 11.66 C ATOM 193 O THR A 12 -2.778 -12.201 3.149 1.00 12.33 O ATOM 194 CB THR A 12 -1.041 -11.323 5.428 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.878 -11.056 6.815 1.00 10.91 O ATOM 196 CG2 THR A 12 0.203 -10.687 4.883 1.00 9.63 C ATOM 0 H THR A 12 -3.635 -12.038 5.681 1.00 9.63 H new ATOM 0 HA THR A 12 -2.225 -9.558 5.152 1.00 9.85 H new ATOM 0 HB THR A 12 -1.151 -12.369 5.141 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.066 -11.498 7.140 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.078 -11.217 5.259 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.190 -10.736 3.794 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.247 -9.645 5.199 1.00 9.63 H new ATOM 204 N ILE A 13 -2.088 -10.133 2.501 1.00 10.42 N ATOM 205 CA ILE A 13 -1.822 -10.417 1.093 1.00 11.84 C ATOM 206 C ILE A 13 -0.379 -10.022 0.740 1.00 10.55 C ATOM 207 O ILE A 13 0.264 -9.242 1.449 1.00 11.92 O ATOM 208 CB ILE A 13 -2.857 -9.908 0.107 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.870 -8.365 0.152 1.00 14.87 C ATOM 210 CG2 ILE A 13 -4.223 -10.592 0.354 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.587 -7.688 -1.021 1.00 16.46 C ATOM 0 H ILE A 13 -1.986 -9.142 2.720 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.924 -11.496 0.977 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.602 -10.179 -0.917 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.345 -8.048 1.080 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.840 -8.009 0.183 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.953 -10.215 -0.362 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -4.118 -11.670 0.231 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.562 -10.373 1.367 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.542 -6.606 -0.899 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.101 -7.968 -1.955 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.629 -8.008 -1.044 1.00 16.46 H new ATOM 223 N THR A 14 0.235 -10.611 -0.318 1.00 9.39 N ATOM 224 CA THR A 14 1.607 -10.660 -0.600 1.00 9.63 C ATOM 225 C THR A 14 1.838 -10.083 -1.927 1.00 11.20 C ATOM 226 O THR A 14 1.339 -10.524 -2.966 1.00 11.63 O ATOM 227 CB THR A 14 2.153 -12.089 -0.483 1.00 10.38 C ATOM 228 OG1 THR A 14 1.826 -12.580 0.819 1.00 16.30 O ATOM 229 CG2 THR A 14 3.622 -12.093 -0.654 1.00 11.66 C ATOM 0 H THR A 14 -0.309 -11.094 -1.033 1.00 9.39 H new ATOM 0 HA THR A 14 2.153 -10.070 0.137 1.00 9.63 H new ATOM 0 HB THR A 14 1.713 -12.719 -1.257 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.164 -13.495 0.918 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.995 -13.113 -0.569 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.875 -11.695 -1.637 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.080 -11.473 0.117 1.00 11.66 H new ATOM 237 N LEU A 15 2.862 -9.244 -2.064 1.00 8.29 N ATOM 238 CA LEU A 15 3.069 -8.547 -3.335 1.00 9.03 C ATOM 239 C LEU A 15 4.563 -8.437 -3.614 1.00 8.59 C ATOM 240 O LEU A 15 5.433 -8.485 -2.726 1.00 7.79 O ATOM 241 CB LEU A 15 2.533 -7.101 -3.193 1.00 11.08 C ATOM 242 CG LEU A 15 1.102 -6.999 -2.635 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.761 -5.556 -2.466 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.129 -7.649 -3.679 1.00 15.27 C ATOM 0 H LEU A 15 3.544 -9.033 -1.336 1.00 8.29 H new ATOM 0 HA LEU A 15 2.563 -9.091 -4.132 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.204 -6.541 -2.541 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.563 -6.619 -4.170 1.00 11.08 H new ATOM 0 HG LEU A 15 1.017 -7.509 -1.675 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.251 -5.465 -2.071 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.464 -5.095 -1.772 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.820 -5.053 -3.431 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.894 -7.590 -3.308 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.203 -7.115 -4.627 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.401 -8.694 -3.829 1.00 15.27 H new ATOM 256 N GLU A 16 4.940 -8.253 -4.887 1.00 11.04 N ATOM 257 CA GLU A 16 6.291 -8.113 -5.382 1.00 11.50 C ATOM 258 C GLU A 16 6.548 -6.802 -6.068 1.00 10.13 C ATOM 259 O GLU A 16 5.739 -6.255 -6.876 1.00 9.83 O ATOM 260 CB GLU A 16 6.653 -9.335 -6.378 1.00 17.22 C ATOM 261 CG GLU A 16 5.831 -9.513 -7.686 1.00 23.33 C ATOM 262 CD GLU A 16 5.855 -10.875 -8.280 1.00 26.99 C ATOM 263 OE1 GLU A 16 6.964 -11.267 -8.818 1.00 28.86 O ATOM 264 OE2 GLU A 16 4.848 -11.607 -8.205 1.00 28.90 O ATOM 0 H GLU A 16 4.253 -8.196 -5.638 1.00 11.04 H new ATOM 0 HA GLU A 16 6.939 -8.138 -4.506 1.00 11.50 H new ATOM 0 HB2 GLU A 16 7.701 -9.230 -6.660 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.568 -10.260 -5.808 1.00 17.22 H new ATOM 0 HG2 GLU A 16 4.795 -9.243 -7.482 1.00 23.33 H new ATOM 0 HG3 GLU A 16 6.204 -8.806 -8.427 1.00 23.33 H new ATOM 271 N VAL A 17 7.661 -6.086 -5.678 1.00 8.99 N ATOM 272 CA VAL A 17 7.919 -4.666 -5.942 1.00 8.85 C ATOM 273 C VAL A 17 9.367 -4.416 -5.849 1.00 8.04 C ATOM 274 O VAL A 17 10.196 -5.259 -5.464 1.00 8.99 O ATOM 275 CB VAL A 17 7.155 -3.722 -4.996 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.631 -3.719 -5.192 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.568 -4.025 -3.515 1.00 10.54 C ATOM 0 H VAL A 17 8.418 -6.523 -5.152 1.00 8.99 H new ATOM 0 HA VAL A 17 7.554 -4.450 -6.946 1.00 8.85 H new ATOM 0 HB VAL A 17 7.448 -2.704 -5.253 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.175 -3.027 -4.485 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.396 -3.406 -6.209 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.240 -4.722 -5.021 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.028 -3.358 -2.843 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.323 -5.059 -3.273 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.640 -3.869 -3.397 1.00 10.54 H new ATOM 287 N GLU A 18 9.752 -3.234 -6.241 1.00 7.29 N ATOM 288 CA GLU A 18 11.136 -2.785 -6.286 1.00 7.08 C ATOM 289 C GLU A 18 11.063 -1.379 -5.693 1.00 6.45 C ATOM 290 O GLU A 18 10.005 -0.802 -5.829 1.00 5.28 O ATOM 291 CB GLU A 18 11.700 -2.617 -7.753 1.00 10.28 C ATOM 292 CG GLU A 18 11.793 -3.919 -8.515 1.00 12.65 C ATOM 293 CD GLU A 18 12.843 -4.776 -7.899 1.00 14.15 C ATOM 294 OE1 GLU A 18 14.061 -4.421 -7.913 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.502 -5.916 -7.402 1.00 18.17 O ATOM 0 H GLU A 18 9.093 -2.521 -6.552 1.00 7.29 H new ATOM 0 HA GLU A 18 11.778 -3.504 -5.777 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.060 -1.928 -8.303 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.689 -2.162 -7.704 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.832 -4.433 -8.498 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.033 -3.725 -9.561 1.00 12.65 H new ATOM 302 N PRO A 19 12.015 -0.739 -5.129 1.00 7.24 N ATOM 303 CA PRO A 19 11.782 0.467 -4.231 1.00 7.07 C ATOM 304 C PRO A 19 11.329 1.677 -4.988 1.00 6.65 C ATOM 305 O PRO A 19 10.817 2.617 -4.434 1.00 6.37 O ATOM 306 CB PRO A 19 13.155 0.724 -3.575 1.00 7.61 C ATOM 307 CG PRO A 19 13.800 -0.716 -3.548 1.00 8.16 C ATOM 308 CD PRO A 19 13.330 -1.350 -4.904 1.00 7.49 C ATOM 0 HA PRO A 19 10.987 0.272 -3.511 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.755 1.426 -4.154 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.054 1.141 -2.573 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.887 -0.668 -3.482 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.454 -1.295 -2.692 1.00 8.16 H new ATOM 0 HD2 PRO A 19 14.022 -1.123 -5.715 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.262 -2.436 -4.837 1.00 7.49 H new ATOM 316 N SER A 20 11.513 1.655 -6.301 1.00 6.80 N ATOM 317 CA SER A 20 11.036 2.727 -7.214 1.00 6.28 C ATOM 318 C SER A 20 9.629 2.777 -7.502 1.00 8.45 C ATOM 319 O SER A 20 9.132 3.726 -8.085 1.00 7.26 O ATOM 320 CB SER A 20 11.804 2.607 -8.609 1.00 8.57 C ATOM 321 OG SER A 20 13.221 2.725 -8.379 1.00 11.13 O ATOM 0 H SER A 20 11.998 0.897 -6.781 1.00 6.80 H new ATOM 0 HA SER A 20 11.249 3.642 -6.661 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.578 1.651 -9.081 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.468 3.387 -9.292 1.00 8.57 H new ATOM 0 HG SER A 20 13.698 2.650 -9.232 1.00 11.13 H new ATOM 327 N ASP A 21 8.880 1.700 -7.124 1.00 7.50 N ATOM 328 CA ASP A 21 7.477 1.603 -7.399 1.00 7.70 C ATOM 329 C ASP A 21 6.674 2.591 -6.596 1.00 7.08 C ATOM 330 O ASP A 21 6.864 2.724 -5.374 1.00 8.11 O ATOM 331 CB ASP A 21 6.893 0.169 -7.177 1.00 11.00 C ATOM 332 CG ASP A 21 7.594 -0.863 -8.094 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.876 -0.441 -9.242 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.807 -2.020 -7.758 1.00 14.36 O ATOM 0 H ASP A 21 9.261 0.897 -6.624 1.00 7.50 H new ATOM 0 HA ASP A 21 7.389 1.839 -8.460 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.019 -0.121 -6.134 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.822 0.173 -7.380 1.00 11.00 H new ATOM 339 N THR A 22 5.912 3.426 -7.325 1.00 5.37 N ATOM 340 CA THR A 22 5.042 4.397 -6.660 1.00 6.01 C ATOM 341 C THR A 22 3.998 3.792 -5.841 1.00 8.01 C ATOM 342 O THR A 22 3.556 2.695 -6.047 1.00 8.11 O ATOM 343 CB THR A 22 4.464 5.438 -7.523 1.00 8.92 C ATOM 344 OG1 THR A 22 3.400 4.972 -8.325 1.00 10.22 O ATOM 345 CG2 THR A 22 5.562 6.143 -8.366 1.00 9.65 C ATOM 0 H THR A 22 5.883 3.446 -8.344 1.00 5.37 H new ATOM 0 HA THR A 22 5.747 4.905 -6.002 1.00 6.01 H new ATOM 0 HB THR A 22 4.024 6.180 -6.857 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.057 5.708 -8.874 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.104 6.907 -8.994 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.289 6.608 -7.700 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.064 5.409 -8.996 1.00 9.65 H new ATOM 353 N ILE A 23 3.622 4.515 -4.780 1.00 8.32 N ATOM 354 CA ILE A 23 2.591 4.100 -3.818 1.00 9.92 C ATOM 355 C ILE A 23 1.253 3.931 -4.538 1.00 10.01 C ATOM 356 O ILE A 23 0.451 3.068 -4.253 1.00 8.71 O ATOM 357 CB ILE A 23 2.465 5.074 -2.662 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.750 5.030 -1.795 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.203 4.795 -1.937 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.073 3.750 -1.013 1.00 12.30 C ATOM 0 H ILE A 23 4.033 5.422 -4.561 1.00 8.32 H new ATOM 0 HA ILE A 23 2.893 3.144 -3.391 1.00 9.92 H new ATOM 0 HB ILE A 23 2.393 6.106 -3.006 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.596 5.239 -2.449 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.692 5.849 -1.078 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.101 5.489 -1.103 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.359 4.917 -2.616 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.219 3.773 -1.558 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.003 3.886 -0.460 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.264 3.536 -0.315 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.182 2.917 -1.708 1.00 12.30 H new ATOM 372 N GLU A 24 1.017 4.715 -5.592 1.00 9.54 N ATOM 373 CA GLU A 24 -0.142 4.626 -6.489 1.00 11.81 C ATOM 374 C GLU A 24 -0.091 3.292 -7.211 1.00 11.14 C ATOM 375 O GLU A 24 -1.011 2.513 -7.365 1.00 10.62 O ATOM 376 CB GLU A 24 -0.035 5.792 -7.483 1.00 19.24 C ATOM 377 CG GLU A 24 -1.083 5.792 -8.623 1.00 27.76 C ATOM 378 CD GLU A 24 -0.971 7.072 -9.446 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.021 7.353 -10.181 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.921 7.892 -9.291 1.00 36.51 O ATOM 0 H GLU A 24 1.657 5.464 -5.857 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.086 4.689 -5.948 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.124 6.727 -6.931 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.960 5.778 -7.927 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.932 4.924 -9.265 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.086 5.708 -8.204 1.00 27.76 H new ATOM 387 N ASN A 25 1.095 2.830 -7.667 1.00 9.43 N ATOM 388 CA ASN A 25 1.372 1.509 -8.195 1.00 10.96 C ATOM 389 C ASN A 25 1.231 0.396 -7.176 1.00 9.68 C ATOM 390 O ASN A 25 0.806 -0.696 -7.493 1.00 9.33 O ATOM 391 CB ASN A 25 2.826 1.366 -8.832 1.00 16.78 C ATOM 392 CG ASN A 25 2.866 1.778 -10.301 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.630 0.947 -11.197 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.183 3.084 -10.513 1.00 24.70 N ATOM 0 H ASN A 25 1.926 3.421 -7.669 1.00 9.43 H new ATOM 0 HA ASN A 25 0.610 1.403 -8.967 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.528 1.979 -8.267 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.159 0.332 -8.739 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.241 3.447 -11.465 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.362 3.700 -9.720 1.00 24.70 H new ATOM 401 N VAL A 26 1.579 0.612 -5.855 1.00 6.52 N ATOM 402 CA VAL A 26 1.332 -0.380 -4.796 1.00 5.53 C ATOM 403 C VAL A 26 -0.147 -0.624 -4.630 1.00 4.42 C ATOM 404 O VAL A 26 -0.654 -1.751 -4.484 1.00 3.40 O ATOM 405 CB VAL A 26 2.046 -0.185 -3.483 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.946 -1.289 -2.459 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.523 0.050 -3.746 1.00 8.12 C ATOM 0 H VAL A 26 2.027 1.467 -5.525 1.00 6.52 H new ATOM 0 HA VAL A 26 1.811 -1.286 -5.166 1.00 5.53 H new ATOM 0 HB VAL A 26 1.525 0.665 -3.043 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.507 -1.010 -1.567 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.900 -1.447 -2.195 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.358 -2.209 -2.874 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.043 0.192 -2.799 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.942 -0.812 -4.265 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.646 0.940 -4.364 1.00 8.12 H new ATOM 417 N LYS A 27 -0.936 0.442 -4.656 1.00 2.64 N ATOM 418 CA LYS A 27 -2.395 0.440 -4.659 1.00 4.14 C ATOM 419 C LYS A 27 -3.000 -0.347 -5.835 1.00 5.58 C ATOM 420 O LYS A 27 -3.902 -1.187 -5.603 1.00 4.11 O ATOM 421 CB LYS A 27 -3.058 1.845 -4.511 1.00 3.97 C ATOM 422 CG LYS A 27 -2.577 2.532 -3.182 1.00 7.45 C ATOM 423 CD LYS A 27 -3.186 3.935 -3.083 1.00 9.02 C ATOM 424 CE LYS A 27 -2.937 4.410 -1.649 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.477 5.761 -1.445 1.00 15.47 N ATOM 0 H LYS A 27 -0.553 1.387 -4.677 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.645 -0.096 -3.743 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.800 2.469 -5.366 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.143 1.745 -4.506 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.875 1.933 -2.322 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.489 2.594 -3.165 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.724 4.611 -3.802 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.253 3.913 -3.306 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.401 3.718 -0.946 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.867 4.406 -1.441 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.860 6.287 -0.793 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.521 6.259 -2.357 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.433 5.695 -1.040 1.00 15.47 H new ATOM 439 N ALA A 28 -2.512 -0.187 -7.049 1.00 6.61 N ATOM 440 CA ALA A 28 -2.877 -0.881 -8.216 1.00 7.74 C ATOM 441 C ALA A 28 -2.549 -2.377 -8.147 1.00 9.17 C ATOM 442 O ALA A 28 -3.447 -3.164 -8.523 1.00 11.45 O ATOM 443 CB ALA A 28 -2.141 -0.209 -9.370 1.00 7.68 C ATOM 0 H ALA A 28 -1.783 0.502 -7.234 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.958 -0.834 -8.350 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.391 -0.713 -10.304 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.439 0.838 -9.431 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.066 -0.271 -9.201 1.00 7.68 H new ATOM 449 N LYS A 29 -1.357 -2.761 -7.578 1.00 8.96 N ATOM 450 CA LYS A 29 -1.010 -4.161 -7.371 1.00 7.90 C ATOM 451 C LYS A 29 -1.892 -4.821 -6.335 1.00 6.92 C ATOM 452 O LYS A 29 -2.175 -6.032 -6.356 1.00 6.87 O ATOM 453 CB LYS A 29 0.440 -4.297 -6.794 1.00 10.28 C ATOM 454 CG LYS A 29 1.499 -3.973 -7.877 1.00 14.94 C ATOM 455 CD LYS A 29 2.870 -4.446 -7.524 1.00 19.69 C ATOM 456 CE LYS A 29 3.902 -3.756 -8.461 1.00 22.63 C ATOM 457 NZ LYS A 29 3.545 -3.868 -9.861 1.00 24.98 N ATOM 0 H LYS A 29 -0.642 -2.104 -7.265 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.122 -4.630 -8.348 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.563 -3.623 -5.946 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.594 -5.310 -6.421 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.196 -4.430 -8.819 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.525 -2.895 -8.039 1.00 14.94 H new ATOM 0 HD2 LYS A 29 3.092 -4.212 -6.483 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.933 -5.529 -7.628 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.983 -2.702 -8.193 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.885 -4.201 -8.304 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.372 -3.643 -10.449 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.231 -4.839 -10.063 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.775 -3.203 -10.077 1.00 24.98 H new ATOM 471 N ILE A 30 -2.444 -4.093 -5.330 1.00 4.57 N ATOM 472 CA ILE A 30 -3.541 -4.544 -4.426 1.00 5.58 C ATOM 473 C ILE A 30 -4.876 -4.701 -5.157 1.00 7.26 C ATOM 474 O ILE A 30 -5.513 -5.715 -5.042 1.00 9.46 O ATOM 475 CB ILE A 30 -3.677 -3.584 -3.194 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.416 -3.809 -2.274 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.961 -3.915 -2.460 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.220 -2.675 -1.252 1.00 2.00 C ATOM 0 H ILE A 30 -2.130 -3.146 -5.118 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.268 -5.535 -4.062 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.719 -2.538 -3.497 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.521 -4.756 -1.745 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.526 -3.889 -2.897 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.069 -3.254 -1.600 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.809 -3.779 -3.131 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.930 -4.950 -2.121 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.338 -2.881 -0.645 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.086 -1.730 -1.778 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.097 -2.610 -0.608 1.00 2.00 H new ATOM 490 N GLN A 31 -5.240 -3.757 -6.053 1.00 7.06 N ATOM 491 CA GLN A 31 -6.431 -3.901 -6.949 1.00 8.67 C ATOM 492 C GLN A 31 -6.348 -5.108 -7.771 1.00 10.90 C ATOM 493 O GLN A 31 -7.289 -5.871 -7.888 1.00 9.63 O ATOM 494 CB GLN A 31 -6.732 -2.719 -7.898 1.00 9.12 C ATOM 495 CG GLN A 31 -8.061 -2.732 -8.672 1.00 10.76 C ATOM 496 CD GLN A 31 -8.142 -1.726 -9.862 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.153 -1.108 -10.288 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.351 -1.527 -10.386 1.00 14.76 N ATOM 0 H GLN A 31 -4.731 -2.882 -6.182 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.249 -3.946 -6.230 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.698 -1.802 -7.310 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.923 -2.661 -8.626 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.231 -3.738 -9.055 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.871 -2.514 -7.976 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.154 -2.042 -10.026 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.473 -0.860 -11.148 1.00 14.76 H new ATOM 507 N ASP A 32 -5.146 -5.418 -8.414 1.00 10.93 N ATOM 508 CA ASP A 32 -4.839 -6.675 -9.170 1.00 14.01 C ATOM 509 C ASP A 32 -5.079 -7.931 -8.347 1.00 14.04 C ATOM 510 O ASP A 32 -5.637 -8.932 -8.845 1.00 13.39 O ATOM 511 CB ASP A 32 -3.409 -6.550 -9.827 1.00 18.01 C ATOM 512 CG ASP A 32 -3.235 -7.590 -10.860 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.046 -7.665 -11.803 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.243 -8.393 -10.774 1.00 26.29 O ATOM 0 H ASP A 32 -4.357 -4.771 -8.409 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.547 -6.795 -9.990 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.289 -5.562 -10.271 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.638 -6.652 -9.063 1.00 18.01 H new ATOM 519 N LYS A 33 -4.678 -7.885 -7.044 1.00 14.22 N ATOM 520 CA LYS A 33 -4.805 -9.019 -6.088 1.00 14.00 C ATOM 521 C LYS A 33 -6.193 -9.294 -5.624 1.00 12.37 C ATOM 522 O LYS A 33 -6.686 -10.420 -5.478 1.00 12.17 O ATOM 523 CB LYS A 33 -3.903 -8.745 -4.919 1.00 18.62 C ATOM 524 CG LYS A 33 -3.698 -9.906 -3.897 1.00 24.00 C ATOM 525 CD LYS A 33 -3.157 -11.190 -4.567 1.00 27.61 C ATOM 526 CE LYS A 33 -1.781 -11.162 -5.123 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.339 -12.504 -5.640 1.00 30.06 N ATOM 0 H LYS A 33 -4.256 -7.055 -6.628 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.512 -9.923 -6.621 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.925 -8.457 -5.305 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.299 -7.884 -4.380 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.004 -9.585 -3.120 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.646 -10.127 -3.407 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.204 -11.994 -3.833 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.838 -11.457 -5.375 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.734 -10.432 -5.931 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.088 -10.828 -4.351 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.373 -12.430 -6.017 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.356 -13.197 -4.865 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.982 -12.814 -6.396 1.00 30.06 H new ATOM 541 N GLU A 34 -6.912 -8.176 -5.381 1.00 10.11 N ATOM 542 CA GLU A 34 -8.048 -8.210 -4.473 1.00 10.07 C ATOM 543 C GLU A 34 -9.233 -7.429 -4.860 1.00 9.32 C ATOM 544 O GLU A 34 -10.231 -7.493 -4.150 1.00 11.61 O ATOM 545 CB GLU A 34 -7.654 -7.608 -3.115 1.00 14.77 C ATOM 546 CG GLU A 34 -6.966 -8.496 -2.090 1.00 18.75 C ATOM 547 CD GLU A 34 -7.896 -9.635 -1.590 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.836 -9.229 -0.849 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.769 -10.772 -2.109 1.00 21.95 O ATOM 0 H GLU A 34 -6.721 -7.264 -5.797 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.307 -9.269 -4.469 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.998 -6.759 -3.309 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.559 -7.213 -2.654 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.067 -8.928 -2.530 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.646 -7.890 -1.242 1.00 18.75 H new ATOM 556 N GLY A 35 -9.174 -6.691 -6.009 1.00 7.22 N ATOM 557 CA GLY A 35 -10.358 -6.101 -6.633 1.00 6.29 C ATOM 558 C GLY A 35 -10.883 -4.838 -6.006 1.00 6.93 C ATOM 559 O GLY A 35 -11.959 -4.295 -6.394 1.00 7.41 O ATOM 0 H GLY A 35 -8.306 -6.501 -6.509 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.127 -5.894 -7.678 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.155 -6.844 -6.625 1.00 6.29 H new ATOM 563 N ILE A 36 -10.084 -4.305 -5.075 1.00 5.86 N ATOM 564 CA ILE A 36 -10.385 -3.050 -4.328 1.00 6.07 C ATOM 565 C ILE A 36 -9.846 -1.846 -5.081 1.00 6.36 C ATOM 566 O ILE A 36 -8.662 -1.740 -5.265 1.00 6.18 O ATOM 567 CB ILE A 36 -9.743 -3.058 -2.919 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.872 -4.385 -2.242 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.332 -1.895 -2.078 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.972 -4.509 -1.020 1.00 9.49 C ATOM 0 H ILE A 36 -9.196 -4.728 -4.806 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.469 -2.990 -4.231 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.670 -2.896 -3.022 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.909 -4.536 -1.942 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.627 -5.176 -2.951 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.881 -1.899 -1.086 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.118 -0.946 -2.570 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.411 -2.022 -1.987 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.106 -5.492 -0.568 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.931 -4.387 -1.321 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.233 -3.737 -0.296 1.00 9.49 H new ATOM 582 N PRO A 37 -10.689 -0.858 -5.469 1.00 8.65 N ATOM 583 CA PRO A 37 -10.346 0.339 -6.237 1.00 9.18 C ATOM 584 C PRO A 37 -9.254 1.129 -5.534 1.00 9.85 C ATOM 585 O PRO A 37 -9.327 1.153 -4.298 1.00 8.51 O ATOM 586 CB PRO A 37 -11.632 1.163 -6.353 1.00 11.42 C ATOM 587 CG PRO A 37 -12.761 0.124 -6.172 1.00 9.27 C ATOM 588 CD PRO A 37 -12.141 -0.935 -5.213 1.00 8.33 C ATOM 0 HA PRO A 37 -9.961 0.080 -7.223 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.678 1.940 -5.590 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.700 1.662 -7.320 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.656 0.576 -5.744 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.052 -0.320 -7.124 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.373 -0.712 -4.172 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.528 -1.933 -5.419 1.00 8.33 H new ATOM 596 N PRO A 38 -8.332 1.752 -6.220 1.00 8.71 N ATOM 597 CA PRO A 38 -7.151 2.394 -5.563 1.00 9.08 C ATOM 598 C PRO A 38 -7.505 3.649 -4.791 1.00 9.28 C ATOM 599 O PRO A 38 -6.794 3.963 -3.830 1.00 6.50 O ATOM 600 CB PRO A 38 -6.220 2.702 -6.702 1.00 10.31 C ATOM 601 CG PRO A 38 -7.149 2.710 -7.938 1.00 10.81 C ATOM 602 CD PRO A 38 -8.081 1.552 -7.667 1.00 12.00 C ATOM 0 HA PRO A 38 -6.711 1.736 -4.814 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.725 3.663 -6.566 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.436 1.950 -6.794 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.691 3.651 -8.030 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.591 2.571 -8.864 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.995 1.606 -8.259 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.619 0.588 -7.880 1.00 12.00 H new ATOM 610 N ASP A 39 -8.635 4.367 -5.093 1.00 11.20 N ATOM 611 CA ASP A 39 -9.105 5.528 -4.417 1.00 14.96 C ATOM 612 C ASP A 39 -9.774 5.089 -3.066 1.00 13.99 C ATOM 613 O ASP A 39 -9.916 5.914 -2.147 1.00 13.75 O ATOM 614 CB ASP A 39 -10.031 6.402 -5.232 1.00 24.16 C ATOM 615 CG ASP A 39 -9.422 6.818 -6.513 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.349 7.537 -6.393 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.022 6.605 -7.589 1.00 35.55 O ATOM 0 H ASP A 39 -9.245 4.099 -5.865 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.238 6.161 -4.229 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.957 5.862 -5.430 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.296 7.287 -4.653 1.00 24.16 H new ATOM 622 N GLN A 40 -10.134 3.781 -2.920 1.00 11.60 N ATOM 623 CA GLN A 40 -10.782 3.179 -1.739 1.00 10.76 C ATOM 624 C GLN A 40 -9.704 2.617 -0.792 1.00 8.01 C ATOM 625 O GLN A 40 -9.985 1.921 0.213 1.00 8.96 O ATOM 626 CB GLN A 40 -11.915 2.116 -2.203 1.00 11.14 C ATOM 627 CG GLN A 40 -12.964 1.739 -1.117 1.00 14.85 C ATOM 628 CD GLN A 40 -13.855 0.540 -1.502 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.960 -0.417 -0.706 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.547 0.591 -2.665 1.00 18.16 N ATOM 0 H GLN A 40 -9.969 3.097 -3.659 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.321 3.929 -1.161 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.441 2.526 -3.065 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.419 1.204 -2.536 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.444 1.509 -0.187 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.599 2.604 -0.922 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.435 1.389 -3.290 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.180 -0.169 -2.916 1.00 18.16 H new ATOM 639 N GLN A 41 -8.397 2.905 -1.032 1.00 6.52 N ATOM 640 CA GLN A 41 -7.261 2.373 -0.258 1.00 3.87 C ATOM 641 C GLN A 41 -6.450 3.436 0.418 1.00 4.79 C ATOM 642 O GLN A 41 -5.748 4.167 -0.298 1.00 6.34 O ATOM 643 CB GLN A 41 -6.344 1.542 -1.188 1.00 4.20 C ATOM 644 CG GLN A 41 -7.010 0.346 -1.851 1.00 3.20 C ATOM 645 CD GLN A 41 -5.861 -0.284 -2.699 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.705 -0.080 -2.377 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.234 -0.797 -3.909 1.00 7.13 N ATOM 0 H GLN A 41 -8.106 3.527 -1.786 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.685 1.750 0.530 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.952 2.197 -1.966 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.491 1.188 -0.609 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.398 -0.357 -1.114 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.850 0.649 -2.475 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.221 -0.945 -4.118 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.525 -1.033 -4.603 1.00 7.13 H new ATOM 656 N ARG A 42 -6.416 3.539 1.737 1.00 5.73 N ATOM 657 CA ARG A 42 -5.362 4.311 2.410 1.00 6.97 C ATOM 658 C ARG A 42 -4.260 3.389 2.843 1.00 7.15 C ATOM 659 O ARG A 42 -4.482 2.470 3.580 1.00 7.33 O ATOM 660 CB ARG A 42 -5.962 5.058 3.593 1.00 13.23 C ATOM 661 CG ARG A 42 -6.567 6.406 3.192 1.00 21.27 C ATOM 662 CD ARG A 42 -7.134 7.168 4.343 1.00 26.14 C ATOM 663 NE ARG A 42 -7.525 8.549 3.828 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.558 9.255 4.300 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.500 8.692 5.074 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.708 10.492 3.964 1.00 36.39 N ATOM 0 H ARG A 42 -7.094 3.106 2.364 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.937 5.044 1.724 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.733 4.441 4.055 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.190 5.220 4.345 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.800 7.011 2.708 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.352 6.238 2.455 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.002 6.652 4.755 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.402 7.251 5.146 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.966 8.958 3.080 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.438 7.703 5.315 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.278 9.254 5.421 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.037 10.935 3.336 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.497 11.027 4.326 1.00 36.39 H new ATOM 680 N LEU A 43 -3.015 3.600 2.341 1.00 4.65 N ATOM 681 CA LEU A 43 -1.964 2.758 2.868 1.00 3.51 C ATOM 682 C LEU A 43 -1.146 3.469 3.968 1.00 5.56 C ATOM 683 O LEU A 43 -0.896 4.657 3.982 1.00 4.19 O ATOM 684 CB LEU A 43 -1.087 2.123 1.787 1.00 3.74 C ATOM 685 CG LEU A 43 -1.805 1.472 0.594 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.700 0.965 -0.368 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.912 0.436 0.880 1.00 6.41 C ATOM 0 H LEU A 43 -2.749 4.287 1.636 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.467 1.918 3.348 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.418 2.891 1.400 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.463 1.365 2.260 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.425 2.243 0.137 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.161 0.492 -1.235 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.089 1.806 -0.695 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.072 0.240 0.149 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.320 0.070 -0.062 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.493 -0.398 1.442 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.706 0.903 1.462 1.00 6.41 H new ATOM 699 N ILE A 44 -0.805 2.666 4.972 1.00 4.58 N ATOM 700 CA ILE A 44 -0.093 3.164 6.205 1.00 5.55 C ATOM 701 C ILE A 44 1.043 2.266 6.562 1.00 5.46 C ATOM 702 O ILE A 44 0.972 1.056 6.658 1.00 6.04 O ATOM 703 CB ILE A 44 -0.992 3.320 7.418 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.476 3.759 7.022 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.448 4.333 8.407 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.332 4.108 8.207 1.00 13.90 C ATOM 0 H ILE A 44 -0.998 1.665 4.981 1.00 4.58 H new ATOM 0 HA ILE A 44 0.269 4.157 5.940 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.018 2.334 7.882 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.426 4.618 6.353 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.950 2.950 6.466 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.125 4.410 9.258 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.535 4.012 8.753 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.362 5.305 7.922 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.326 4.397 7.865 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.412 3.243 8.866 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.880 4.938 8.751 1.00 13.90 H new ATOM 718 N PHE A 45 2.244 2.902 6.794 1.00 6.75 N ATOM 719 CA PHE A 45 3.415 2.296 7.301 1.00 4.70 C ATOM 720 C PHE A 45 4.251 3.352 8.021 1.00 6.34 C ATOM 721 O PHE A 45 4.370 4.475 7.558 1.00 5.45 O ATOM 722 CB PHE A 45 4.317 1.819 6.140 1.00 5.51 C ATOM 723 CG PHE A 45 5.686 1.355 6.358 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.890 0.041 6.823 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.794 2.215 6.289 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.154 -0.415 7.168 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.083 1.754 6.665 1.00 6.64 C ATOM 728 CZ PHE A 45 8.266 0.477 7.183 1.00 6.84 C ATOM 0 H PHE A 45 2.371 3.897 6.606 1.00 6.75 H new ATOM 0 HA PHE A 45 3.109 1.474 7.948 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.786 1.007 5.644 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.375 2.643 5.429 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.045 -0.625 6.913 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.665 3.232 5.948 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.297 -1.454 7.427 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.936 2.406 6.547 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.221 0.170 7.584 1.00 6.84 H new ATOM 738 N ALA A 46 4.875 2.993 9.143 1.00 6.53 N ATOM 739 CA ALA A 46 5.713 3.786 10.038 1.00 7.15 C ATOM 740 C ALA A 46 5.057 5.011 10.547 1.00 9.00 C ATOM 741 O ALA A 46 5.707 6.062 10.681 1.00 11.15 O ATOM 742 CB ALA A 46 7.087 4.054 9.403 1.00 8.99 C ATOM 0 H ALA A 46 4.796 2.034 9.482 1.00 6.53 H new ATOM 0 HA ALA A 46 5.875 3.184 10.932 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.695 4.646 10.087 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.586 3.106 9.202 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.956 4.600 8.469 1.00 8.99 H new ATOM 748 N GLY A 47 3.774 4.865 10.865 1.00 9.35 N ATOM 749 CA GLY A 47 2.873 5.899 11.360 1.00 11.68 C ATOM 750 C GLY A 47 2.581 6.993 10.326 1.00 11.14 C ATOM 751 O GLY A 47 2.085 8.071 10.656 1.00 13.93 O ATOM 0 H GLY A 47 3.307 3.963 10.778 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.934 5.437 11.666 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.308 6.355 12.249 1.00 11.68 H new ATOM 755 N LYS A 48 2.817 6.686 9.091 1.00 10.47 N ATOM 756 CA LYS A 48 2.701 7.614 7.928 1.00 8.82 C ATOM 757 C LYS A 48 1.689 7.104 6.929 1.00 7.68 C ATOM 758 O LYS A 48 1.834 5.995 6.361 1.00 6.47 O ATOM 759 CB LYS A 48 4.071 7.801 7.176 1.00 9.74 C ATOM 760 CG LYS A 48 5.205 8.342 8.048 1.00 14.14 C ATOM 761 CD LYS A 48 6.582 7.993 7.419 1.00 16.32 C ATOM 762 CE LYS A 48 7.655 8.635 8.277 1.00 20.04 C ATOM 763 NZ LYS A 48 8.923 8.312 7.676 1.00 23.92 N ATOM 0 H LYS A 48 3.111 5.749 8.815 1.00 10.47 H new ATOM 0 HA LYS A 48 2.384 8.573 8.338 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.376 6.841 6.760 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.920 8.479 6.336 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.109 9.423 8.153 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.137 7.918 9.050 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.721 6.913 7.377 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.639 8.362 6.395 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.515 9.715 8.326 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.606 8.261 9.300 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.690 8.735 8.236 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 9.042 7.279 7.650 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.954 8.688 6.707 1.00 23.92 H new ATOM 777 N GLN A 49 0.788 7.983 6.464 1.00 8.89 N ATOM 778 CA GLN A 49 -0.144 7.683 5.513 1.00 7.18 C ATOM 779 C GLN A 49 0.507 7.927 4.129 1.00 8.23 C ATOM 780 O GLN A 49 1.103 8.997 3.819 1.00 9.70 O ATOM 781 CB GLN A 49 -1.352 8.613 5.810 1.00 11.67 C ATOM 782 CG GLN A 49 -2.560 8.391 4.768 1.00 15.82 C ATOM 783 CD GLN A 49 -3.680 9.245 5.255 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.600 8.740 5.920 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.731 10.535 4.885 1.00 20.67 N ATOM 0 H GLN A 49 0.736 8.947 6.792 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.489 6.649 5.519 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.710 8.429 6.823 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.027 9.653 5.771 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.262 8.675 3.759 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.856 7.343 4.730 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.970 10.939 4.339 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.531 11.110 5.150 1.00 20.67 H new ATOM 794 N LEU A 50 0.548 6.864 3.299 1.00 6.51 N ATOM 795 CA LEU A 50 1.609 6.856 2.273 1.00 7.41 C ATOM 796 C LEU A 50 1.124 7.577 1.026 1.00 8.27 C ATOM 797 O LEU A 50 0.085 7.253 0.443 1.00 8.34 O ATOM 798 CB LEU A 50 1.967 5.408 1.917 1.00 7.13 C ATOM 799 CG LEU A 50 2.372 4.354 2.987 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.521 2.937 2.358 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.628 4.858 3.728 1.00 9.11 C ATOM 0 H LEU A 50 -0.083 6.063 3.310 1.00 6.51 H new ATOM 0 HA LEU A 50 2.490 7.365 2.664 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.108 4.997 1.386 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.789 5.458 1.203 1.00 7.13 H new ATOM 0 HG LEU A 50 1.583 4.239 3.730 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.805 2.223 3.132 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.572 2.634 1.915 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.291 2.961 1.586 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.923 4.128 4.482 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.441 4.993 3.015 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.408 5.810 4.211 1.00 9.11 H new ATOM 813 N GLU A 51 1.836 8.696 0.687 1.00 9.43 N ATOM 814 CA GLU A 51 1.319 9.531 -0.371 1.00 11.90 C ATOM 815 C GLU A 51 1.483 8.915 -1.764 1.00 11.49 C ATOM 816 O GLU A 51 2.539 8.403 -2.138 1.00 9.88 O ATOM 817 CB GLU A 51 2.056 10.897 -0.376 1.00 16.56 C ATOM 818 CG GLU A 51 1.779 11.704 0.938 1.00 26.06 C ATOM 819 CD GLU A 51 2.787 12.780 1.129 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.871 13.662 0.196 1.00 33.44 O ATOM 821 OE2 GLU A 51 3.492 12.828 2.177 1.00 32.13 O ATOM 0 H GLU A 51 2.710 9.002 1.116 1.00 9.43 H new ATOM 0 HA GLU A 51 0.254 9.645 -0.168 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.128 10.733 -0.484 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.735 11.482 -1.238 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.781 12.140 0.897 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.797 11.029 1.794 1.00 26.06 H new ATOM 828 N ASP A 52 0.362 8.934 -2.555 1.00 12.71 N ATOM 829 CA ASP A 52 0.220 8.224 -3.853 1.00 16.56 C ATOM 830 C ASP A 52 1.333 8.595 -4.913 1.00 15.83 C ATOM 831 O ASP A 52 1.889 7.761 -5.625 1.00 17.21 O ATOM 832 CB ASP A 52 -1.125 8.654 -4.441 1.00 21.05 C ATOM 833 CG ASP A 52 -2.173 8.479 -3.369 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.378 9.398 -2.508 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.834 7.420 -3.309 1.00 28.37 O ATOM 0 H ASP A 52 -0.476 9.454 -2.296 1.00 12.71 H new ATOM 0 HA ASP A 52 0.306 7.155 -3.658 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.084 9.693 -4.770 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.369 8.052 -5.316 1.00 21.05 H new ATOM 840 N GLY A 53 1.686 9.899 -4.886 1.00 15.00 N ATOM 841 CA GLY A 53 2.661 10.382 -5.842 1.00 11.77 C ATOM 842 C GLY A 53 4.158 10.133 -5.472 1.00 11.10 C ATOM 843 O GLY A 53 5.020 10.509 -6.224 1.00 11.25 O ATOM 0 H GLY A 53 1.320 10.596 -4.237 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.461 9.912 -6.805 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.512 11.454 -5.974 1.00 11.77 H new ATOM 847 N ARG A 54 4.377 9.480 -4.346 1.00 8.53 N ATOM 848 CA ARG A 54 5.704 9.050 -3.881 1.00 9.05 C ATOM 849 C ARG A 54 5.971 7.547 -4.050 1.00 8.96 C ATOM 850 O ARG A 54 5.137 6.799 -4.561 1.00 11.60 O ATOM 851 CB ARG A 54 5.914 9.505 -2.403 1.00 7.97 C ATOM 852 CG ARG A 54 5.527 10.967 -2.146 1.00 9.62 C ATOM 853 CD ARG A 54 6.009 11.352 -0.758 1.00 12.20 C ATOM 854 NE ARG A 54 5.480 12.718 -0.443 1.00 18.23 N ATOM 855 CZ ARG A 54 5.963 13.857 -0.928 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.115 13.942 -1.620 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.192 14.936 -0.796 1.00 23.38 N ATOM 0 H ARG A 54 3.626 9.222 -3.706 1.00 8.53 H new ATOM 0 HA ARG A 54 6.437 9.537 -4.524 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.326 8.862 -1.748 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.961 9.363 -2.134 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.976 11.616 -2.897 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.447 11.093 -2.221 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.660 10.629 -0.020 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.098 11.347 -0.719 1.00 12.20 H new ATOM 0 HE ARG A 54 4.686 12.778 0.194 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.667 13.103 -1.796 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.435 14.846 -1.968 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.282 14.860 -0.341 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.512 15.838 -1.150 1.00 23.38 H new ATOM 871 N THR A 55 7.201 7.143 -3.724 1.00 9.05 N ATOM 872 CA THR A 55 7.681 5.783 -3.853 1.00 9.03 C ATOM 873 C THR A 55 7.883 5.043 -2.534 1.00 8.15 C ATOM 874 O THR A 55 7.885 5.689 -1.470 1.00 5.91 O ATOM 875 CB THR A 55 8.953 5.568 -4.759 1.00 11.15 C ATOM 876 OG1 THR A 55 10.088 6.164 -4.144 1.00 11.95 O ATOM 877 CG2 THR A 55 8.837 6.236 -6.126 1.00 11.71 C ATOM 0 H THR A 55 7.905 7.780 -3.352 1.00 9.05 H new ATOM 0 HA THR A 55 6.835 5.341 -4.380 1.00 9.03 H new ATOM 0 HB THR A 55 9.045 4.489 -4.880 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.793 6.810 -3.469 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.745 6.050 -6.700 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.980 5.826 -6.660 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.703 7.310 -5.996 1.00 11.71 H new ATOM 885 N LEU A 56 8.113 3.718 -2.593 1.00 6.91 N ATOM 886 CA LEU A 56 8.558 2.902 -1.482 1.00 8.29 C ATOM 887 C LEU A 56 9.888 3.497 -0.952 1.00 8.05 C ATOM 888 O LEU A 56 10.169 3.555 0.231 1.00 10.17 O ATOM 889 CB LEU A 56 8.758 1.450 -2.038 1.00 6.60 C ATOM 890 CG LEU A 56 7.443 0.694 -2.282 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.640 -0.454 -3.248 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.854 0.258 -1.002 1.00 8.64 C ATOM 0 H LEU A 56 7.985 3.182 -3.451 1.00 6.91 H new ATOM 0 HA LEU A 56 7.843 2.880 -0.660 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.315 1.502 -2.973 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.368 0.882 -1.335 1.00 6.60 H new ATOM 0 HG LEU A 56 6.733 1.374 -2.752 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.691 -0.969 -3.400 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.001 -0.069 -4.202 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.370 -1.152 -2.839 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.923 -0.276 -1.193 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.552 -0.402 -0.487 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.651 1.129 -0.379 1.00 8.64 H new ATOM 904 N SER A 57 10.811 3.882 -1.876 1.00 8.92 N ATOM 905 CA SER A 57 12.082 4.465 -1.436 1.00 9.00 C ATOM 906 C SER A 57 11.923 5.747 -0.604 1.00 9.44 C ATOM 907 O SER A 57 12.780 5.948 0.264 1.00 10.91 O ATOM 908 CB SER A 57 12.998 4.830 -2.613 1.00 10.32 C ATOM 909 OG SER A 57 14.317 5.038 -2.165 1.00 13.59 O ATOM 0 H SER A 57 10.696 3.799 -2.886 1.00 8.92 H new ATOM 0 HA SER A 57 12.519 3.677 -0.822 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.981 4.032 -3.356 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.628 5.730 -3.104 1.00 10.32 H new ATOM 0 HG SER A 57 14.889 5.268 -2.927 1.00 13.59 H new ATOM 915 N ASP A 58 10.806 6.557 -0.741 1.00 9.11 N ATOM 916 CA ASP A 58 10.667 7.773 0.091 1.00 7.91 C ATOM 917 C ASP A 58 10.323 7.552 1.503 1.00 9.12 C ATOM 918 O ASP A 58 10.318 8.400 2.379 1.00 8.61 O ATOM 919 CB ASP A 58 9.509 8.601 -0.533 1.00 8.41 C ATOM 920 CG ASP A 58 9.951 9.019 -1.924 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.739 10.003 -2.079 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.393 8.413 -2.904 1.00 11.70 O ATOM 0 H ASP A 58 10.038 6.385 -1.390 1.00 9.11 H new ATOM 0 HA ASP A 58 11.643 8.258 0.094 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.596 8.008 -0.582 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.289 9.476 0.079 1.00 8.41 H new ATOM 927 N TYR A 59 9.920 6.241 1.721 1.00 7.97 N ATOM 928 CA TYR A 59 9.500 5.775 3.036 1.00 8.45 C ATOM 929 C TYR A 59 10.470 4.709 3.486 1.00 10.98 C ATOM 930 O TYR A 59 10.247 4.199 4.546 1.00 12.95 O ATOM 931 CB TYR A 59 8.137 5.109 3.012 1.00 7.94 C ATOM 932 CG TYR A 59 7.138 6.212 2.632 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.768 7.069 3.657 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.591 6.346 1.397 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.904 8.150 3.364 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.600 7.305 1.120 1.00 6.52 C ATOM 937 CZ TYR A 59 5.304 8.249 2.084 1.00 6.76 C ATOM 938 OH TYR A 59 4.506 9.342 1.705 1.00 7.63 O ATOM 0 H TYR A 59 9.890 5.527 0.993 1.00 7.97 H new ATOM 0 HA TYR A 59 9.466 6.646 3.691 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.113 4.294 2.289 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.894 4.680 3.984 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.133 6.914 4.662 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.927 5.696 0.602 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.702 8.899 4.115 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.081 7.303 0.173 1.00 6.52 H new ATOM 0 HH TYR A 59 4.806 10.146 2.179 1.00 7.63 H new ATOM 948 N ASN A 60 11.510 4.341 2.713 1.00 12.38 N ATOM 949 CA ASN A 60 12.548 3.282 3.118 1.00 13.94 C ATOM 950 C ASN A 60 11.979 1.905 3.428 1.00 14.16 C ATOM 951 O ASN A 60 12.265 1.281 4.479 1.00 14.26 O ATOM 952 CB ASN A 60 13.467 3.763 4.233 1.00 19.23 C ATOM 953 CG ASN A 60 13.914 5.185 3.904 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.841 6.008 4.797 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.335 5.475 2.649 1.00 24.09 N ATOM 0 H ASN A 60 11.684 4.745 1.793 1.00 12.38 H new ATOM 0 HA ASN A 60 13.146 3.148 2.216 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.947 3.740 5.191 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.331 3.105 4.324 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.612 6.427 2.411 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.375 4.741 1.942 1.00 24.09 H new ATOM 962 N ILE A 61 11.135 1.501 2.473 1.00 11.08 N ATOM 963 CA ILE A 61 10.418 0.242 2.547 1.00 11.78 C ATOM 964 C ILE A 61 11.323 -0.825 1.914 1.00 13.74 C ATOM 965 O ILE A 61 11.649 -0.747 0.742 1.00 14.60 O ATOM 966 CB ILE A 61 9.008 0.248 1.963 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.128 1.272 2.734 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.407 -1.173 2.147 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.727 1.614 2.186 1.00 11.42 C ATOM 0 H ILE A 61 10.936 2.043 1.632 1.00 11.08 H new ATOM 0 HA ILE A 61 10.220 0.023 3.596 1.00 11.78 H new ATOM 0 HB ILE A 61 9.039 0.523 0.909 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.002 0.899 3.750 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.691 2.203 2.804 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.397 -1.197 1.737 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.028 -1.901 1.625 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.374 -1.419 3.208 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.248 2.342 2.841 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.821 2.033 1.184 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.121 0.709 2.145 1.00 11.42 H new ATOM 981 N GLN A 62 11.564 -1.881 2.706 1.00 13.97 N ATOM 982 CA GLN A 62 12.541 -2.977 2.447 1.00 15.52 C ATOM 983 C GLN A 62 11.853 -4.315 2.332 1.00 13.94 C ATOM 984 O GLN A 62 10.616 -4.423 2.404 1.00 12.15 O ATOM 985 CB GLN A 62 13.556 -3.206 3.589 1.00 19.53 C ATOM 986 CG GLN A 62 14.486 -1.988 3.752 1.00 26.38 C ATOM 987 CD GLN A 62 15.455 -2.047 4.946 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.498 -1.129 5.772 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.178 -3.185 5.146 1.00 32.71 N ATOM 0 H GLN A 62 11.066 -2.010 3.587 1.00 13.97 H new ATOM 0 HA GLN A 62 13.037 -2.650 1.533 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.024 -3.389 4.522 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.149 -4.096 3.380 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.070 -1.874 2.839 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.870 -1.094 3.850 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.140 -3.940 4.462 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.757 -3.281 5.980 1.00 32.71 H new ATOM 998 N LYS A 63 12.595 -5.422 2.046 1.00 11.73 N ATOM 999 CA LYS A 63 12.130 -6.836 1.895 1.00 11.97 C ATOM 1000 C LYS A 63 11.469 -7.312 3.200 1.00 10.41 C ATOM 1001 O LYS A 63 11.973 -6.972 4.297 1.00 9.59 O ATOM 1002 CB LYS A 63 13.164 -7.922 1.426 1.00 13.73 C ATOM 1003 CG LYS A 63 14.412 -8.203 2.416 1.00 16.98 C ATOM 1004 CD LYS A 63 15.397 -9.267 1.935 1.00 20.19 C ATOM 1005 CE LYS A 63 16.654 -9.367 2.775 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.384 -8.098 2.902 1.00 25.97 N ATOM 0 H LYS A 63 13.602 -5.348 1.905 1.00 11.73 H new ATOM 0 HA LYS A 63 11.436 -6.765 1.058 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.630 -8.860 1.276 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.559 -7.621 0.456 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.954 -7.269 2.565 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.023 -8.504 3.389 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.897 -10.235 1.931 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.677 -9.049 0.904 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.388 -9.723 3.770 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.315 -10.114 2.335 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.342 -8.283 3.262 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.447 -7.639 1.971 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.881 -7.473 3.563 1.00 25.97 H new ATOM 1020 N GLU A 64 10.289 -8.013 3.121 1.00 10.04 N ATOM 1021 CA GLU A 64 9.601 -8.585 4.263 1.00 10.94 C ATOM 1022 C GLU A 64 8.883 -7.559 5.128 1.00 9.74 C ATOM 1023 O GLU A 64 8.512 -7.874 6.251 1.00 9.42 O ATOM 1024 CB GLU A 64 10.393 -9.574 5.125 1.00 18.31 C ATOM 1025 CG GLU A 64 11.062 -10.777 4.332 1.00 24.16 C ATOM 1026 CD GLU A 64 11.437 -11.912 5.324 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.605 -12.532 6.007 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.657 -12.167 5.557 1.00 31.72 O ATOM 0 H GLU A 64 9.808 -8.182 2.237 1.00 10.04 H new ATOM 0 HA GLU A 64 8.849 -9.198 3.765 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.175 -9.027 5.651 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.726 -9.985 5.883 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.374 -11.154 3.576 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.952 -10.430 3.808 1.00 24.16 H new ATOM 1035 N SER A 65 8.713 -6.327 4.587 1.00 6.85 N ATOM 1036 CA SER A 65 8.117 -5.165 5.285 1.00 6.90 C ATOM 1037 C SER A 65 6.593 -5.250 5.195 1.00 4.72 C ATOM 1038 O SER A 65 6.045 -5.461 4.152 1.00 3.91 O ATOM 1039 CB SER A 65 8.664 -3.768 4.812 1.00 7.28 C ATOM 1040 OG SER A 65 8.407 -2.776 5.826 1.00 10.56 O ATOM 0 H SER A 65 8.994 -6.111 3.631 1.00 6.85 H new ATOM 0 HA SER A 65 8.427 -5.225 6.328 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.734 -3.833 4.617 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.186 -3.478 3.876 1.00 7.28 H new ATOM 0 HG SER A 65 7.781 -2.107 5.478 1.00 10.56 H new ATOM 1046 N THR A 66 5.927 -5.075 6.425 1.00 4.48 N ATOM 1047 CA THR A 66 4.501 -5.176 6.633 1.00 3.80 C ATOM 1048 C THR A 66 3.904 -3.835 6.679 1.00 4.60 C ATOM 1049 O THR A 66 4.213 -2.946 7.517 1.00 5.33 O ATOM 1050 CB THR A 66 4.143 -5.804 7.967 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.806 -7.053 8.040 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.657 -6.091 8.131 1.00 3.40 C ATOM 0 H THR A 66 6.432 -4.856 7.284 1.00 4.48 H new ATOM 0 HA THR A 66 4.131 -5.787 5.810 1.00 3.80 H new ATOM 0 HB THR A 66 4.436 -5.096 8.743 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.596 -7.485 8.894 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.479 -6.539 9.109 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.096 -5.160 8.051 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.331 -6.780 7.351 1.00 3.40 H new ATOM 1060 N LEU A 67 2.974 -3.559 5.691 1.00 4.17 N ATOM 1061 CA LEU A 67 2.230 -2.301 5.559 1.00 3.85 C ATOM 1062 C LEU A 67 0.839 -2.583 5.968 1.00 3.80 C ATOM 1063 O LEU A 67 0.364 -3.739 6.055 1.00 5.54 O ATOM 1064 CB LEU A 67 2.238 -1.737 4.073 1.00 7.18 C ATOM 1065 CG LEU A 67 3.541 -1.873 3.279 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.266 -1.514 1.744 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.688 -1.106 3.857 1.00 11.66 C ATOM 0 H LEU A 67 2.737 -4.235 4.965 1.00 4.17 H new ATOM 0 HA LEU A 67 2.701 -1.541 6.182 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.449 -2.242 3.516 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.975 -0.680 4.112 1.00 7.18 H new ATOM 0 HG LEU A 67 3.863 -2.912 3.348 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.192 -1.610 1.176 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.519 -2.197 1.339 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.899 -0.490 1.670 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.573 -1.254 3.238 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.439 -0.045 3.886 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.889 -1.459 4.868 1.00 11.66 H new ATOM 1079 N HIS A 68 0.034 -1.516 6.123 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.408 -1.669 6.544 1.00 4.17 C ATOM 1081 C HIS A 68 -2.236 -1.132 5.418 1.00 5.32 C ATOM 1082 O HIS A 68 -1.769 -0.292 4.619 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.757 -0.744 7.759 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.868 -1.027 8.928 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.458 -0.739 9.011 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.223 -1.478 10.164 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.862 -0.949 10.240 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.123 -1.408 11.034 1.00 16.30 N ATOM 0 H HIS A 68 0.330 -0.552 5.972 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.586 -2.714 6.798 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.654 0.301 7.465 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.798 -0.894 8.046 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.043 -0.413 8.242 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -2.205 -1.836 10.434 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.873 -0.773 10.578 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.459 -1.652 5.242 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.464 -1.298 4.238 1.00 3.97 C ATOM 1098 C LEU A 69 -5.763 -0.947 4.983 1.00 5.07 C ATOM 1099 O LEU A 69 -6.445 -1.751 5.593 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.761 -2.503 3.323 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.035 -2.391 2.467 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -6.006 -1.106 1.562 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.269 -3.692 1.660 1.00 9.96 C ATOM 0 H LEU A 69 -3.796 -2.395 5.853 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.097 -0.467 3.635 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.910 -2.650 2.658 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.839 -3.396 3.943 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.890 -2.274 3.132 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.920 -1.057 0.970 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.933 -0.219 2.192 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.144 -1.150 0.896 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.175 -3.591 1.062 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.418 -3.870 1.003 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.379 -4.531 2.347 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.148 0.326 4.938 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.289 0.995 5.426 1.00 6.26 C ATOM 1117 C VAL A 70 -8.257 1.203 4.295 1.00 9.22 C ATOM 1118 O VAL A 70 -7.914 1.496 3.172 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.861 2.276 6.075 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.029 3.185 6.304 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.148 2.068 7.400 1.00 8.54 C ATOM 0 H VAL A 70 -5.539 0.999 4.472 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.803 0.404 6.184 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.158 2.730 5.377 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.686 4.106 6.776 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.500 3.420 5.349 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.752 2.692 6.953 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.865 3.035 7.817 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.813 1.554 8.094 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.254 1.466 7.241 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.576 0.837 4.529 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.599 0.935 3.507 1.00 16.06 C ATOM 1133 C LEU A 71 -11.335 2.237 3.721 1.00 18.09 C ATOM 1134 O LEU A 71 -12.017 2.546 4.744 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.547 -0.253 3.439 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.693 -1.504 3.383 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.706 -2.687 3.301 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.785 -1.684 2.165 1.00 19.57 C ATOM 0 H LEU A 71 -9.913 0.479 5.423 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.108 0.919 2.534 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.202 -0.273 4.310 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.188 -0.185 2.560 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.033 -1.450 4.248 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.161 -3.630 3.257 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.347 -2.679 4.183 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.319 -2.580 2.406 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.233 -2.620 2.257 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.391 -1.708 1.260 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.082 -0.853 2.109 1.00 19.57 H new