USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 574 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 11 CYS SG : rot 63:sc= -0.899 USER MOD Set 1.2: A 29 SER OG : rot 137:sc= 0.373 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0.978 (180deg=0.745) USER MOD Single : A 3 LYS NZ :NH3+ 162:sc= -0.0549 (180deg=-0.306) USER MOD Single : A 4 LYS NZ :NH3+ 174:sc= 1.24 (180deg=1.09) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.534 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 155:sc= 1.18 (180deg=1.08) USER MOD Single : A 25 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.021) USER MOD Single : A 31 GLN : amide:sc= -1.57! C(o=-1.6!,f=-6.9!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 150:sc= 0 USER MOD Single : A 45 MET CE :methyl -173:sc= 0 (180deg=-0.108) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 54 SER OG : rot 75:sc= 0.982 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.011) USER MOD Single : A 64 HIS : no HE2:sc= 1.23 K(o=1.5,f=-6.8!) USER MOD Single : A 65 HIS : no HD1:sc=-0.00249 X(o=-0.0025,f=0) USER MOD Single : A 66 HIS : no HD1:sc= 0.273 K(o=0.27,f=-3.3!) USER MOD Single : A 67 HIS : no HD1:sc= -0.0465 X(o=-0.047,f=-0.074) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.268 12.782 -14.611 1.00 0.00 N ATOM 2 CA MET A 1 11.699 11.425 -14.732 1.00 0.00 C ATOM 3 C MET A 1 10.310 11.406 -14.117 1.00 0.00 C ATOM 4 O MET A 1 10.135 11.085 -12.938 1.00 0.00 O ATOM 5 CB MET A 1 12.593 10.390 -14.045 1.00 0.00 C ATOM 6 CG MET A 1 13.955 10.226 -14.697 1.00 0.00 C ATOM 7 SD MET A 1 14.943 8.945 -13.901 1.00 0.00 S ATOM 8 CE MET A 1 16.407 8.959 -14.932 1.00 0.00 C ATOM 0 H1 MET A 1 13.139 12.845 -15.175 1.00 0.00 H new ATOM 0 H2 MET A 1 11.579 13.479 -14.959 1.00 0.00 H new ATOM 0 H3 MET A 1 12.487 12.979 -13.614 1.00 0.00 H new ATOM 0 HA MET A 1 11.637 11.165 -15.789 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.732 10.678 -13.003 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.083 9.427 -14.044 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.824 9.979 -15.750 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.492 11.174 -14.656 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.117 8.217 -14.566 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.131 8.721 -15.959 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.866 9.947 -14.899 1.00 0.00 H new ATOM 20 N GLU A 2 9.324 11.776 -14.915 1.00 0.00 N ATOM 21 CA GLU A 2 7.980 11.998 -14.410 1.00 0.00 C ATOM 22 C GLU A 2 7.050 10.843 -14.761 1.00 0.00 C ATOM 23 O GLU A 2 6.527 10.759 -15.873 1.00 0.00 O ATOM 24 CB GLU A 2 7.414 13.320 -14.949 1.00 0.00 C ATOM 25 CG GLU A 2 7.938 14.566 -14.235 1.00 0.00 C ATOM 26 CD GLU A 2 9.453 14.621 -14.151 1.00 0.00 C ATOM 27 OE1 GLU A 2 10.120 14.595 -15.206 1.00 0.00 O ATOM 28 OE2 GLU A 2 9.988 14.686 -13.025 1.00 0.00 O ATOM 0 H GLU A 2 9.429 11.929 -15.918 1.00 0.00 H new ATOM 0 HA GLU A 2 8.043 12.056 -13.323 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.651 13.397 -16.010 1.00 0.00 H new ATOM 0 HB3 GLU A 2 6.327 13.297 -14.865 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.578 15.453 -14.757 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.524 14.599 -13.227 1.00 0.00 H new ATOM 35 N LYS A 3 6.882 9.940 -13.806 1.00 0.00 N ATOM 36 CA LYS A 3 5.902 8.870 -13.916 1.00 0.00 C ATOM 37 C LYS A 3 5.026 8.867 -12.677 1.00 0.00 C ATOM 38 O LYS A 3 4.365 7.882 -12.344 1.00 0.00 O ATOM 39 CB LYS A 3 6.572 7.512 -14.117 1.00 0.00 C ATOM 40 CG LYS A 3 7.664 7.150 -13.112 1.00 0.00 C ATOM 41 CD LYS A 3 8.987 7.831 -13.440 1.00 0.00 C ATOM 42 CE LYS A 3 10.143 7.235 -12.651 1.00 0.00 C ATOM 43 NZ LYS A 3 10.429 5.836 -13.067 1.00 0.00 N ATOM 0 H LYS A 3 7.418 9.928 -12.938 1.00 0.00 H new ATOM 0 HA LYS A 3 5.284 9.050 -14.795 1.00 0.00 H new ATOM 0 HB2 LYS A 3 5.803 6.741 -14.082 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.003 7.486 -15.118 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.346 7.439 -12.110 1.00 0.00 H new ATOM 0 HG3 LYS A 3 7.805 6.069 -13.102 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.189 7.737 -14.507 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.910 8.896 -13.223 1.00 0.00 H new ATOM 0 HE2 LYS A 3 11.034 7.846 -12.793 1.00 0.00 H new ATOM 0 HE3 LYS A 3 9.907 7.257 -11.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 11.382 5.567 -12.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 9.728 5.197 -12.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 10.377 5.765 -14.103 1.00 0.00 H new ATOM 57 N LYS A 4 5.038 10.011 -12.020 1.00 0.00 N ATOM 58 CA LYS A 4 4.230 10.273 -10.831 1.00 0.00 C ATOM 59 C LYS A 4 2.749 10.417 -11.215 1.00 0.00 C ATOM 60 O LYS A 4 2.151 11.480 -11.068 1.00 0.00 O ATOM 61 CB LYS A 4 4.747 11.554 -10.145 1.00 0.00 C ATOM 62 CG LYS A 4 3.999 11.962 -8.881 1.00 0.00 C ATOM 63 CD LYS A 4 4.308 11.058 -7.700 1.00 0.00 C ATOM 64 CE LYS A 4 3.618 11.557 -6.439 1.00 0.00 C ATOM 65 NZ LYS A 4 4.016 10.781 -5.237 1.00 0.00 N ATOM 0 H LYS A 4 5.618 10.803 -12.298 1.00 0.00 H new ATOM 0 HA LYS A 4 4.315 9.437 -10.137 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.799 11.414 -9.896 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.695 12.376 -10.860 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.259 12.989 -8.625 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.927 11.944 -9.076 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.982 10.041 -7.920 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.385 11.019 -7.539 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.860 12.609 -6.287 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.538 11.494 -6.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.602 11.218 -4.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.672 9.803 -5.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.053 10.777 -5.154 1.00 0.00 H new ATOM 79 N PHE A 5 2.176 9.346 -11.747 1.00 0.00 N ATOM 80 CA PHE A 5 0.770 9.340 -12.137 1.00 0.00 C ATOM 81 C PHE A 5 0.066 8.129 -11.546 1.00 0.00 C ATOM 82 O PHE A 5 -1.082 8.206 -11.112 1.00 0.00 O ATOM 83 CB PHE A 5 0.635 9.331 -13.662 1.00 0.00 C ATOM 84 CG PHE A 5 1.243 10.537 -14.332 1.00 0.00 C ATOM 85 CD1 PHE A 5 0.591 11.759 -14.310 1.00 0.00 C ATOM 86 CD2 PHE A 5 2.470 10.448 -14.974 1.00 0.00 C ATOM 87 CE1 PHE A 5 1.147 12.868 -14.919 1.00 0.00 C ATOM 88 CE2 PHE A 5 3.028 11.554 -15.585 1.00 0.00 C ATOM 89 CZ PHE A 5 2.368 12.766 -15.554 1.00 0.00 C ATOM 0 H PHE A 5 2.664 8.467 -11.919 1.00 0.00 H new ATOM 0 HA PHE A 5 0.302 10.246 -11.751 1.00 0.00 H new ATOM 0 HB2 PHE A 5 1.109 8.431 -14.054 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -0.422 9.275 -13.924 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.363 11.846 -13.811 1.00 0.00 H new ATOM 0 HD2 PHE A 5 2.994 9.504 -14.996 1.00 0.00 H new ATOM 0 HE1 PHE A 5 0.626 13.814 -14.898 1.00 0.00 H new ATOM 0 HE2 PHE A 5 3.981 11.471 -16.087 1.00 0.00 H new ATOM 0 HZ PHE A 5 2.806 13.633 -16.026 1.00 0.00 H new ATOM 99 N LEU A 6 0.769 7.006 -11.529 1.00 0.00 N ATOM 100 CA LEU A 6 0.248 5.781 -10.935 1.00 0.00 C ATOM 101 C LEU A 6 0.725 5.649 -9.493 1.00 0.00 C ATOM 102 O LEU A 6 0.349 4.726 -8.777 1.00 0.00 O ATOM 103 CB LEU A 6 0.684 4.568 -11.772 1.00 0.00 C ATOM 104 CG LEU A 6 2.173 4.504 -12.133 1.00 0.00 C ATOM 105 CD1 LEU A 6 3.015 3.994 -10.970 1.00 0.00 C ATOM 106 CD2 LEU A 6 2.382 3.636 -13.360 1.00 0.00 C ATOM 0 H LEU A 6 1.706 6.917 -11.921 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.841 5.822 -10.928 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.423 3.661 -11.226 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.105 4.561 -12.696 1.00 0.00 H new ATOM 0 HG LEU A 6 2.502 5.519 -12.356 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.064 3.963 -11.266 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.898 4.661 -10.116 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.686 2.992 -10.695 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.444 3.600 -13.604 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.022 2.627 -13.158 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.831 4.056 -14.201 1.00 0.00 H new ATOM 118 N ASP A 7 1.549 6.599 -9.078 1.00 0.00 N ATOM 119 CA ASP A 7 2.157 6.584 -7.751 1.00 0.00 C ATOM 120 C ASP A 7 1.174 7.100 -6.703 1.00 0.00 C ATOM 121 O ASP A 7 1.344 6.885 -5.501 1.00 0.00 O ATOM 122 CB ASP A 7 3.421 7.450 -7.777 1.00 0.00 C ATOM 123 CG ASP A 7 4.210 7.413 -6.484 1.00 0.00 C ATOM 124 OD1 ASP A 7 3.894 8.198 -5.568 1.00 0.00 O ATOM 125 OD2 ASP A 7 5.162 6.615 -6.387 1.00 0.00 O ATOM 0 H ASP A 7 1.816 7.401 -9.648 1.00 0.00 H new ATOM 0 HA ASP A 7 2.421 5.561 -7.483 1.00 0.00 H new ATOM 0 HB2 ASP A 7 4.062 7.117 -8.593 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.140 8.481 -7.992 1.00 0.00 H new ATOM 130 N ILE A 8 0.125 7.760 -7.173 1.00 0.00 N ATOM 131 CA ILE A 8 -0.845 8.392 -6.289 1.00 0.00 C ATOM 132 C ILE A 8 -2.086 7.522 -6.098 1.00 0.00 C ATOM 133 O ILE A 8 -3.119 8.002 -5.633 1.00 0.00 O ATOM 134 CB ILE A 8 -1.277 9.772 -6.831 1.00 0.00 C ATOM 135 CG1 ILE A 8 -1.870 9.634 -8.240 1.00 0.00 C ATOM 136 CG2 ILE A 8 -0.096 10.735 -6.836 1.00 0.00 C ATOM 137 CD1 ILE A 8 -2.381 10.936 -8.818 1.00 0.00 C ATOM 0 H ILE A 8 -0.077 7.872 -8.167 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.352 8.519 -5.325 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.047 10.177 -6.174 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.110 9.225 -8.906 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.688 8.914 -8.211 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -0.417 11.703 -7.221 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.280 10.855 -5.820 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.695 10.337 -7.471 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.785 10.758 -9.815 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.165 11.337 -8.175 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.562 11.652 -8.881 1.00 0.00 H new ATOM 149 N LEU A 9 -1.977 6.247 -6.452 1.00 0.00 N ATOM 150 CA LEU A 9 -3.095 5.324 -6.308 1.00 0.00 C ATOM 151 C LEU A 9 -3.411 5.084 -4.834 1.00 0.00 C ATOM 152 O LEU A 9 -2.509 4.887 -4.011 1.00 0.00 O ATOM 153 CB LEU A 9 -2.803 3.993 -7.011 1.00 0.00 C ATOM 154 CG LEU A 9 -2.683 4.073 -8.535 1.00 0.00 C ATOM 155 CD1 LEU A 9 -2.402 2.696 -9.117 1.00 0.00 C ATOM 156 CD2 LEU A 9 -3.951 4.657 -9.142 1.00 0.00 C ATOM 0 H LEU A 9 -1.130 5.831 -6.839 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.965 5.778 -6.781 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.875 3.585 -6.610 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.595 3.287 -6.762 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.850 4.731 -8.781 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.319 2.769 -10.201 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.468 2.311 -8.707 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.217 2.019 -8.860 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.846 4.706 -10.226 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.801 4.024 -8.888 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.115 5.660 -8.748 1.00 0.00 H new ATOM 168 N VAL A 10 -4.697 5.108 -4.510 1.00 0.00 N ATOM 169 CA VAL A 10 -5.151 4.960 -3.138 1.00 0.00 C ATOM 170 C VAL A 10 -6.156 3.822 -3.020 1.00 0.00 C ATOM 171 O VAL A 10 -6.646 3.307 -4.029 1.00 0.00 O ATOM 172 CB VAL A 10 -5.802 6.260 -2.611 1.00 0.00 C ATOM 173 CG1 VAL A 10 -4.800 7.404 -2.605 1.00 0.00 C ATOM 174 CG2 VAL A 10 -7.034 6.626 -3.430 1.00 0.00 C ATOM 0 H VAL A 10 -5.449 5.230 -5.188 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.271 4.736 -2.535 1.00 0.00 H new ATOM 0 HB VAL A 10 -6.121 6.082 -1.584 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.281 8.307 -2.230 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.959 7.147 -1.961 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.441 7.578 -3.619 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.472 7.544 -3.038 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.747 6.776 -4.471 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -7.765 5.820 -3.368 1.00 0.00 H new ATOM 184 N CYS A 11 -6.448 3.424 -1.789 1.00 0.00 N ATOM 185 CA CYS A 11 -7.464 2.414 -1.534 1.00 0.00 C ATOM 186 C CYS A 11 -8.853 3.008 -1.752 1.00 0.00 C ATOM 187 O CYS A 11 -9.087 4.168 -1.423 1.00 0.00 O ATOM 188 CB CYS A 11 -7.352 1.905 -0.100 1.00 0.00 C ATOM 189 SG CYS A 11 -5.691 1.388 0.381 1.00 0.00 S ATOM 0 H CYS A 11 -5.994 3.786 -0.950 1.00 0.00 H new ATOM 0 HA CYS A 11 -7.311 1.583 -2.223 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -7.685 2.690 0.578 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -8.033 1.063 0.028 1.00 0.00 H new ATOM 0 HG CYS A 11 -4.886 2.408 0.327 1.00 0.00 H new ATOM 195 N PRO A 12 -9.797 2.220 -2.289 1.00 0.00 N ATOM 196 CA PRO A 12 -11.158 2.697 -2.561 1.00 0.00 C ATOM 197 C PRO A 12 -11.921 3.061 -1.287 1.00 0.00 C ATOM 198 O PRO A 12 -12.665 4.038 -1.257 1.00 0.00 O ATOM 199 CB PRO A 12 -11.831 1.508 -3.260 1.00 0.00 C ATOM 200 CG PRO A 12 -10.714 0.624 -3.702 1.00 0.00 C ATOM 201 CD PRO A 12 -9.614 0.819 -2.702 1.00 0.00 C ATOM 0 HA PRO A 12 -11.147 3.609 -3.157 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -12.503 0.982 -2.581 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.430 1.839 -4.109 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -11.031 -0.418 -3.735 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.381 0.888 -4.706 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.706 0.133 -1.860 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -8.631 0.652 -3.143 1.00 0.00 H new ATOM 209 N VAL A 13 -11.718 2.274 -0.236 1.00 0.00 N ATOM 210 CA VAL A 13 -12.435 2.475 1.019 1.00 0.00 C ATOM 211 C VAL A 13 -11.727 3.495 1.910 1.00 0.00 C ATOM 212 O VAL A 13 -12.273 4.558 2.213 1.00 0.00 O ATOM 213 CB VAL A 13 -12.588 1.147 1.795 1.00 0.00 C ATOM 214 CG1 VAL A 13 -13.385 1.354 3.076 1.00 0.00 C ATOM 215 CG2 VAL A 13 -13.242 0.085 0.921 1.00 0.00 C ATOM 0 H VAL A 13 -11.064 1.492 -0.228 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.423 2.855 0.759 1.00 0.00 H new ATOM 0 HB VAL A 13 -11.592 0.800 2.069 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -13.479 0.405 3.604 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -12.870 2.074 3.712 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.377 1.732 2.830 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -13.340 -0.842 1.486 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -14.229 0.427 0.610 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -12.625 -0.091 0.040 1.00 0.00 H new ATOM 225 N THR A 14 -10.505 3.172 2.317 1.00 0.00 N ATOM 226 CA THR A 14 -9.767 4.000 3.262 1.00 0.00 C ATOM 227 C THR A 14 -9.240 5.280 2.617 1.00 0.00 C ATOM 228 O THR A 14 -8.895 6.231 3.315 1.00 0.00 O ATOM 229 CB THR A 14 -8.605 3.210 3.885 1.00 0.00 C ATOM 230 OG1 THR A 14 -7.942 2.446 2.870 1.00 0.00 O ATOM 231 CG2 THR A 14 -9.110 2.282 4.981 1.00 0.00 C ATOM 0 H THR A 14 -10.004 2.340 2.006 1.00 0.00 H new ATOM 0 HA THR A 14 -10.467 4.287 4.046 1.00 0.00 H new ATOM 0 HB THR A 14 -7.903 3.917 4.327 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.201 1.945 3.270 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.271 1.733 5.408 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.594 2.870 5.761 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.828 1.578 4.560 1.00 0.00 H new ATOM 239 N LYS A 15 -9.180 5.290 1.284 1.00 0.00 N ATOM 240 CA LYS A 15 -8.794 6.482 0.526 1.00 0.00 C ATOM 241 C LYS A 15 -7.367 6.914 0.876 1.00 0.00 C ATOM 242 O LYS A 15 -7.046 8.105 0.902 1.00 0.00 O ATOM 243 CB LYS A 15 -9.798 7.605 0.813 1.00 0.00 C ATOM 244 CG LYS A 15 -9.880 8.672 -0.264 1.00 0.00 C ATOM 245 CD LYS A 15 -11.043 9.614 0.000 1.00 0.00 C ATOM 246 CE LYS A 15 -11.242 10.602 -1.136 1.00 0.00 C ATOM 247 NZ LYS A 15 -12.483 11.396 -0.955 1.00 0.00 N ATOM 0 H LYS A 15 -9.396 4.480 0.703 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.809 6.253 -0.540 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.786 7.165 0.946 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.531 8.080 1.757 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.948 9.237 -0.295 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.001 8.202 -1.240 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.955 9.034 0.140 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.866 10.158 0.927 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.384 11.273 -1.191 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.287 10.065 -2.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.589 12.061 -1.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.303 10.757 -0.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -12.428 11.927 -0.063 1.00 0.00 H new ATOM 261 N GLY A 16 -6.512 5.930 1.131 1.00 0.00 N ATOM 262 CA GLY A 16 -5.133 6.213 1.479 1.00 0.00 C ATOM 263 C GLY A 16 -4.150 5.598 0.498 1.00 0.00 C ATOM 264 O GLY A 16 -4.452 4.578 -0.125 1.00 0.00 O ATOM 0 H GLY A 16 -6.751 4.939 1.103 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.983 7.292 1.511 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.929 5.833 2.480 1.00 0.00 H new ATOM 268 N ARG A 17 -2.986 6.237 0.361 1.00 0.00 N ATOM 269 CA ARG A 17 -1.933 5.818 -0.553 1.00 0.00 C ATOM 270 C ARG A 17 -1.497 4.370 -0.334 1.00 0.00 C ATOM 271 O ARG A 17 -1.661 3.803 0.751 1.00 0.00 O ATOM 272 CB ARG A 17 -0.746 6.751 -0.351 1.00 0.00 C ATOM 273 CG ARG A 17 0.130 6.925 -1.568 1.00 0.00 C ATOM 274 CD ARG A 17 1.471 6.222 -1.409 1.00 0.00 C ATOM 275 NE ARG A 17 2.434 6.623 -2.437 1.00 0.00 N ATOM 276 CZ ARG A 17 3.735 6.805 -2.202 1.00 0.00 C ATOM 277 NH1 ARG A 17 4.237 6.569 -0.996 1.00 0.00 N ATOM 278 NH2 ARG A 17 4.541 7.205 -3.175 1.00 0.00 N ATOM 0 H ARG A 17 -2.749 7.074 0.894 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.318 5.871 -1.571 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.117 7.729 -0.044 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.136 6.370 0.468 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.384 6.531 -2.445 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.296 7.987 -1.746 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.881 6.445 -0.424 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.321 5.143 -1.456 1.00 0.00 H new ATOM 0 HE ARG A 17 2.091 6.772 -3.386 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.628 6.247 -0.244 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.232 6.710 -0.821 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.168 7.375 -4.109 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.535 7.343 -2.990 1.00 0.00 H new ATOM 292 N LEU A 18 -0.917 3.798 -1.379 1.00 0.00 N ATOM 293 CA LEU A 18 -0.439 2.421 -1.361 1.00 0.00 C ATOM 294 C LEU A 18 1.087 2.379 -1.372 1.00 0.00 C ATOM 295 O LEU A 18 1.717 2.825 -2.329 1.00 0.00 O ATOM 296 CB LEU A 18 -0.977 1.671 -2.584 1.00 0.00 C ATOM 297 CG LEU A 18 -2.499 1.578 -2.678 1.00 0.00 C ATOM 298 CD1 LEU A 18 -2.917 1.044 -4.038 1.00 0.00 C ATOM 299 CD2 LEU A 18 -3.041 0.690 -1.574 1.00 0.00 C ATOM 0 H LEU A 18 -0.764 4.276 -2.267 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.797 1.944 -0.449 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.604 2.161 -3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.568 0.661 -2.579 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.915 2.578 -2.557 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.004 0.984 -4.087 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.555 1.713 -4.819 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.492 0.051 -4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.127 0.633 -1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.617 -0.310 -1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.769 1.108 -0.605 1.00 0.00 H new ATOM 311 N GLU A 19 1.672 1.847 -0.310 1.00 0.00 N ATOM 312 CA GLU A 19 3.115 1.668 -0.242 1.00 0.00 C ATOM 313 C GLU A 19 3.448 0.243 -0.686 1.00 0.00 C ATOM 314 O GLU A 19 3.344 -0.692 0.100 1.00 0.00 O ATOM 315 CB GLU A 19 3.614 1.888 1.194 1.00 0.00 C ATOM 316 CG GLU A 19 3.147 3.186 1.851 1.00 0.00 C ATOM 317 CD GLU A 19 3.876 4.422 1.354 1.00 0.00 C ATOM 318 OE1 GLU A 19 5.061 4.310 0.973 1.00 0.00 O ATOM 319 OE2 GLU A 19 3.274 5.523 1.370 1.00 0.00 O ATOM 0 H GLU A 19 1.169 1.531 0.519 1.00 0.00 H new ATOM 0 HA GLU A 19 3.604 2.393 -0.893 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.286 1.050 1.808 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.704 1.873 1.190 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.079 3.309 1.672 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.282 3.105 2.930 1.00 0.00 H new ATOM 326 N TYR A 20 3.801 0.054 -1.950 1.00 0.00 N ATOM 327 CA TYR A 20 4.001 -1.300 -2.464 1.00 0.00 C ATOM 328 C TYR A 20 5.418 -1.795 -2.197 1.00 0.00 C ATOM 329 O TYR A 20 6.368 -1.014 -2.181 1.00 0.00 O ATOM 330 CB TYR A 20 3.674 -1.382 -3.963 1.00 0.00 C ATOM 331 CG TYR A 20 4.694 -0.749 -4.889 1.00 0.00 C ATOM 332 CD1 TYR A 20 4.649 0.607 -5.192 1.00 0.00 C ATOM 333 CD2 TYR A 20 5.685 -1.522 -5.484 1.00 0.00 C ATOM 334 CE1 TYR A 20 5.564 1.174 -6.060 1.00 0.00 C ATOM 335 CE2 TYR A 20 6.605 -0.962 -6.347 1.00 0.00 C ATOM 336 CZ TYR A 20 6.540 0.385 -6.635 1.00 0.00 C ATOM 337 OH TYR A 20 7.452 0.941 -7.505 1.00 0.00 O ATOM 0 H TYR A 20 3.953 0.801 -2.628 1.00 0.00 H new ATOM 0 HA TYR A 20 3.311 -1.953 -1.929 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.563 -2.431 -4.236 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.709 -0.905 -4.133 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.888 1.227 -4.743 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.736 -2.579 -5.267 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.515 2.229 -6.287 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.372 -1.576 -6.795 1.00 0.00 H new ATOM 0 HH TYR A 20 8.070 0.248 -7.818 1.00 0.00 H new ATOM 347 N HIS A 21 5.549 -3.098 -1.981 1.00 0.00 N ATOM 348 CA HIS A 21 6.849 -3.701 -1.735 1.00 0.00 C ATOM 349 C HIS A 21 7.173 -4.700 -2.840 1.00 0.00 C ATOM 350 O HIS A 21 6.283 -5.378 -3.355 1.00 0.00 O ATOM 351 CB HIS A 21 6.872 -4.396 -0.368 1.00 0.00 C ATOM 352 CG HIS A 21 8.254 -4.723 0.111 1.00 0.00 C ATOM 353 ND1 HIS A 21 8.798 -5.990 0.068 1.00 0.00 N ATOM 354 CD2 HIS A 21 9.207 -3.928 0.649 1.00 0.00 C ATOM 355 CE1 HIS A 21 10.024 -5.957 0.556 1.00 0.00 C ATOM 356 NE2 HIS A 21 10.296 -4.719 0.915 1.00 0.00 N ATOM 0 H HIS A 21 4.770 -3.756 -1.972 1.00 0.00 H new ATOM 0 HA HIS A 21 7.604 -2.915 -1.732 1.00 0.00 H new ATOM 0 HB2 HIS A 21 6.384 -3.755 0.366 1.00 0.00 H new ATOM 0 HB3 HIS A 21 6.289 -5.315 -0.426 1.00 0.00 H new ATOM 0 HD2 HIS A 21 9.126 -2.867 0.835 1.00 0.00 H new ATOM 0 HE1 HIS A 21 10.691 -6.802 0.646 1.00 0.00 H new ATOM 0 HE2 HIS A 21 11.174 -4.400 1.324 1.00 0.00 H new ATOM 365 N GLN A 22 8.448 -4.787 -3.193 1.00 0.00 N ATOM 366 CA GLN A 22 8.900 -5.659 -4.272 1.00 0.00 C ATOM 367 C GLN A 22 8.855 -7.131 -3.859 1.00 0.00 C ATOM 368 O GLN A 22 8.363 -7.470 -2.778 1.00 0.00 O ATOM 369 CB GLN A 22 10.327 -5.279 -4.667 1.00 0.00 C ATOM 370 CG GLN A 22 10.451 -3.858 -5.184 1.00 0.00 C ATOM 371 CD GLN A 22 11.885 -3.363 -5.194 1.00 0.00 C ATOM 372 OE1 GLN A 22 12.356 -2.791 -4.212 1.00 0.00 O ATOM 373 NE2 GLN A 22 12.588 -3.570 -6.297 1.00 0.00 N ATOM 0 H GLN A 22 9.196 -4.259 -2.743 1.00 0.00 H new ATOM 0 HA GLN A 22 8.229 -5.528 -5.121 1.00 0.00 H new ATOM 0 HB2 GLN A 22 10.980 -5.402 -3.803 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.680 -5.969 -5.434 1.00 0.00 H new ATOM 0 HG2 GLN A 22 10.046 -3.807 -6.195 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.846 -3.196 -4.564 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.162 -4.048 -7.091 1.00 0.00 H new ATOM 0 HE22 GLN A 22 13.555 -3.251 -6.353 1.00 0.00 H new ATOM 382 N ASP A 23 9.356 -7.988 -4.750 1.00 0.00 N ATOM 383 CA ASP A 23 9.483 -9.435 -4.523 1.00 0.00 C ATOM 384 C ASP A 23 8.139 -10.151 -4.632 1.00 0.00 C ATOM 385 O ASP A 23 7.964 -11.017 -5.487 1.00 0.00 O ATOM 386 CB ASP A 23 10.141 -9.744 -3.173 1.00 0.00 C ATOM 387 CG ASP A 23 10.351 -11.231 -2.957 1.00 0.00 C ATOM 388 OD1 ASP A 23 11.328 -11.788 -3.509 1.00 0.00 O ATOM 389 OD2 ASP A 23 9.546 -11.851 -2.234 1.00 0.00 O ATOM 0 H ASP A 23 9.692 -7.694 -5.667 1.00 0.00 H new ATOM 0 HA ASP A 23 10.132 -9.814 -5.313 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.102 -9.232 -3.115 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.520 -9.347 -2.370 1.00 0.00 H new ATOM 394 N LYS A 24 7.189 -9.790 -3.783 1.00 0.00 N ATOM 395 CA LYS A 24 5.890 -10.445 -3.791 1.00 0.00 C ATOM 396 C LYS A 24 4.818 -9.534 -4.388 1.00 0.00 C ATOM 397 O LYS A 24 3.663 -9.937 -4.533 1.00 0.00 O ATOM 398 CB LYS A 24 5.499 -10.896 -2.379 1.00 0.00 C ATOM 399 CG LYS A 24 5.534 -9.797 -1.328 1.00 0.00 C ATOM 400 CD LYS A 24 5.003 -10.305 0.002 1.00 0.00 C ATOM 401 CE LYS A 24 4.995 -9.217 1.067 1.00 0.00 C ATOM 402 NZ LYS A 24 4.175 -9.607 2.246 1.00 0.00 N ATOM 0 H LYS A 24 7.291 -9.053 -3.085 1.00 0.00 H new ATOM 0 HA LYS A 24 5.965 -11.331 -4.422 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.494 -11.317 -2.412 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.170 -11.697 -2.069 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.556 -9.439 -1.204 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.937 -8.948 -1.663 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.991 -10.687 -0.134 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.616 -11.140 0.342 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.017 -9.013 1.386 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.603 -8.293 0.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.508 -9.092 3.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.178 -9.372 2.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.266 -10.630 2.409 1.00 0.00 H new ATOM 416 N GLN A 25 5.229 -8.317 -4.753 1.00 0.00 N ATOM 417 CA GLN A 25 4.341 -7.330 -5.373 1.00 0.00 C ATOM 418 C GLN A 25 3.054 -7.123 -4.574 1.00 0.00 C ATOM 419 O GLN A 25 1.961 -7.064 -5.141 1.00 0.00 O ATOM 420 CB GLN A 25 4.015 -7.755 -6.806 1.00 0.00 C ATOM 421 CG GLN A 25 5.219 -7.724 -7.734 1.00 0.00 C ATOM 422 CD GLN A 25 5.676 -6.311 -8.060 1.00 0.00 C ATOM 423 OE1 GLN A 25 5.209 -5.699 -9.022 1.00 0.00 O ATOM 424 NE2 GLN A 25 6.607 -5.788 -7.276 1.00 0.00 N ATOM 0 H GLN A 25 6.186 -7.988 -4.627 1.00 0.00 H new ATOM 0 HA GLN A 25 4.866 -6.375 -5.384 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.602 -8.764 -6.793 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.241 -7.099 -7.205 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.042 -8.270 -7.272 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.972 -8.244 -8.660 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.971 -6.324 -6.488 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.960 -4.849 -7.460 1.00 0.00 H new ATOM 433 N GLU A 26 3.178 -7.007 -3.260 1.00 0.00 N ATOM 434 CA GLU A 26 2.019 -6.732 -2.425 1.00 0.00 C ATOM 435 C GLU A 26 1.979 -5.260 -2.027 1.00 0.00 C ATOM 436 O GLU A 26 3.012 -4.653 -1.733 1.00 0.00 O ATOM 437 CB GLU A 26 2.004 -7.624 -1.181 1.00 0.00 C ATOM 438 CG GLU A 26 1.742 -9.091 -1.492 1.00 0.00 C ATOM 439 CD GLU A 26 1.504 -9.934 -0.248 1.00 0.00 C ATOM 440 OE1 GLU A 26 1.948 -9.528 0.848 1.00 0.00 O ATOM 441 OE2 GLU A 26 0.877 -11.008 -0.367 1.00 0.00 O ATOM 0 H GLU A 26 4.059 -7.098 -2.754 1.00 0.00 H new ATOM 0 HA GLU A 26 1.128 -6.958 -3.010 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.961 -7.535 -0.667 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.239 -7.264 -0.494 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.874 -9.168 -2.147 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.592 -9.497 -2.041 1.00 0.00 H new ATOM 448 N LEU A 27 0.779 -4.696 -2.046 1.00 0.00 N ATOM 449 CA LEU A 27 0.562 -3.302 -1.680 1.00 0.00 C ATOM 450 C LEU A 27 0.351 -3.189 -0.180 1.00 0.00 C ATOM 451 O LEU A 27 -0.572 -3.796 0.361 1.00 0.00 O ATOM 452 CB LEU A 27 -0.678 -2.755 -2.392 1.00 0.00 C ATOM 453 CG LEU A 27 -0.690 -2.902 -3.913 1.00 0.00 C ATOM 454 CD1 LEU A 27 -2.052 -2.523 -4.468 1.00 0.00 C ATOM 455 CD2 LEU A 27 0.393 -2.045 -4.545 1.00 0.00 C ATOM 0 H LEU A 27 -0.071 -5.191 -2.315 1.00 0.00 H new ATOM 0 HA LEU A 27 1.439 -2.727 -1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.557 -3.259 -1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.778 -1.698 -2.147 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.488 -3.945 -4.158 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.046 -2.632 -5.552 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.813 -3.176 -4.041 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.275 -1.488 -4.209 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.366 -2.165 -5.628 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.223 -0.999 -4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.368 -2.355 -4.170 1.00 0.00 H new ATOM 467 N TRP A 28 1.176 -2.401 0.487 1.00 0.00 N ATOM 468 CA TRP A 28 1.060 -2.251 1.925 1.00 0.00 C ATOM 469 C TRP A 28 0.204 -1.039 2.242 1.00 0.00 C ATOM 470 O TRP A 28 0.627 0.109 2.090 1.00 0.00 O ATOM 471 CB TRP A 28 2.441 -2.129 2.584 1.00 0.00 C ATOM 472 CG TRP A 28 3.243 -3.396 2.538 1.00 0.00 C ATOM 473 CD1 TRP A 28 2.980 -4.509 1.792 1.00 0.00 C ATOM 474 CD2 TRP A 28 4.439 -3.682 3.274 1.00 0.00 C ATOM 475 NE1 TRP A 28 3.935 -5.467 2.019 1.00 0.00 N ATOM 476 CE2 TRP A 28 4.842 -4.986 2.924 1.00 0.00 C ATOM 477 CE3 TRP A 28 5.208 -2.965 4.196 1.00 0.00 C ATOM 478 CZ2 TRP A 28 5.981 -5.582 3.461 1.00 0.00 C ATOM 479 CZ3 TRP A 28 6.337 -3.557 4.728 1.00 0.00 C ATOM 480 CH2 TRP A 28 6.713 -4.856 4.360 1.00 0.00 C ATOM 0 H TRP A 28 1.927 -1.860 0.059 1.00 0.00 H new ATOM 0 HA TRP A 28 0.582 -3.142 2.331 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.002 -1.336 2.089 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.313 -1.828 3.624 1.00 0.00 H new ATOM 0 HD1 TRP A 28 2.141 -4.619 1.120 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.964 -6.389 1.584 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.924 -1.965 4.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.276 -6.582 3.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.939 -3.010 5.439 1.00 0.00 H new ATOM 0 HH2 TRP A 28 7.599 -5.293 4.795 1.00 0.00 H new ATOM 491 N SER A 29 -1.022 -1.304 2.649 1.00 0.00 N ATOM 492 CA SER A 29 -1.967 -0.249 2.935 1.00 0.00 C ATOM 493 C SER A 29 -1.976 0.051 4.426 1.00 0.00 C ATOM 494 O SER A 29 -2.706 -0.579 5.187 1.00 0.00 O ATOM 495 CB SER A 29 -3.359 -0.667 2.470 1.00 0.00 C ATOM 496 OG SER A 29 -3.311 -1.168 1.148 1.00 0.00 O ATOM 0 H SER A 29 -1.386 -2.247 2.789 1.00 0.00 H new ATOM 0 HA SER A 29 -1.671 0.654 2.400 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.759 -1.429 3.139 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.036 0.186 2.517 1.00 0.00 H new ATOM 0 HG SER A 29 -3.867 -1.972 1.082 1.00 0.00 H new ATOM 502 N ARG A 30 -1.144 1.002 4.840 1.00 0.00 N ATOM 503 CA ARG A 30 -1.037 1.372 6.249 1.00 0.00 C ATOM 504 C ARG A 30 -2.395 1.846 6.773 1.00 0.00 C ATOM 505 O ARG A 30 -2.747 1.605 7.926 1.00 0.00 O ATOM 506 CB ARG A 30 0.026 2.471 6.425 1.00 0.00 C ATOM 507 CG ARG A 30 0.728 2.467 7.783 1.00 0.00 C ATOM 508 CD ARG A 30 -0.179 2.938 8.912 1.00 0.00 C ATOM 509 NE ARG A 30 0.459 2.798 10.223 1.00 0.00 N ATOM 510 CZ ARG A 30 0.004 3.366 11.341 1.00 0.00 C ATOM 511 NH1 ARG A 30 -1.090 4.120 11.316 1.00 0.00 N ATOM 512 NH2 ARG A 30 0.639 3.169 12.491 1.00 0.00 N ATOM 0 H ARG A 30 -0.533 1.532 4.219 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.731 0.499 6.825 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.777 2.360 5.643 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.447 3.442 6.278 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.082 1.460 8.002 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.607 3.110 7.736 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.448 3.982 8.749 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.105 2.364 8.896 1.00 0.00 H new ATOM 0 HE ARG A 30 1.304 2.231 10.285 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.588 4.268 10.438 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.432 4.551 12.175 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.474 2.584 12.519 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.292 3.603 13.346 1.00 0.00 H new ATOM 526 N GLN A 31 -3.166 2.484 5.899 1.00 0.00 N ATOM 527 CA GLN A 31 -4.457 3.031 6.265 1.00 0.00 C ATOM 528 C GLN A 31 -5.483 1.936 6.550 1.00 0.00 C ATOM 529 O GLN A 31 -6.429 2.146 7.306 1.00 0.00 O ATOM 530 CB GLN A 31 -4.955 3.938 5.148 1.00 0.00 C ATOM 531 CG GLN A 31 -4.018 5.093 4.818 1.00 0.00 C ATOM 532 CD GLN A 31 -3.825 6.070 5.967 1.00 0.00 C ATOM 533 OE1 GLN A 31 -3.888 5.702 7.138 1.00 0.00 O ATOM 534 NE2 GLN A 31 -3.585 7.329 5.638 1.00 0.00 N ATOM 0 H GLN A 31 -2.911 2.633 4.923 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.333 3.604 7.184 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.107 3.340 4.250 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.927 4.342 5.430 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.047 4.691 4.528 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.410 5.632 3.956 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.539 7.600 4.656 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.445 8.029 6.367 1.00 0.00 H new ATOM 543 N ALA A 32 -5.294 0.765 5.952 1.00 0.00 N ATOM 544 CA ALA A 32 -6.233 -0.337 6.131 1.00 0.00 C ATOM 545 C ALA A 32 -5.625 -1.432 6.998 1.00 0.00 C ATOM 546 O ALA A 32 -6.315 -2.359 7.422 1.00 0.00 O ATOM 547 CB ALA A 32 -6.648 -0.904 4.784 1.00 0.00 C ATOM 0 H ALA A 32 -4.504 0.555 5.342 1.00 0.00 H new ATOM 0 HA ALA A 32 -7.118 0.050 6.637 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.349 -1.725 4.935 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.126 -0.123 4.192 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.767 -1.271 4.257 1.00 0.00 H new ATOM 553 N LYS A 33 -4.323 -1.304 7.252 1.00 0.00 N ATOM 554 CA LYS A 33 -3.553 -2.293 8.010 1.00 0.00 C ATOM 555 C LYS A 33 -3.535 -3.637 7.290 1.00 0.00 C ATOM 556 O LYS A 33 -3.368 -4.687 7.913 1.00 0.00 O ATOM 557 CB LYS A 33 -4.110 -2.462 9.426 1.00 0.00 C ATOM 558 CG LYS A 33 -4.135 -1.175 10.234 1.00 0.00 C ATOM 559 CD LYS A 33 -4.664 -1.418 11.634 1.00 0.00 C ATOM 560 CE LYS A 33 -4.836 -0.123 12.409 1.00 0.00 C ATOM 561 NZ LYS A 33 -5.333 -0.377 13.784 1.00 0.00 N ATOM 0 H LYS A 33 -3.769 -0.508 6.937 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.530 -1.924 8.085 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.123 -2.860 9.363 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.510 -3.201 9.956 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.130 -0.758 10.289 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.759 -0.437 9.729 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.622 -1.935 11.575 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.980 -2.074 12.172 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.883 0.404 12.456 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.534 0.528 11.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.440 0.527 14.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.254 -0.858 13.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.654 -0.978 14.293 1.00 0.00 H new ATOM 575 N LEU A 34 -3.675 -3.593 5.973 1.00 0.00 N ATOM 576 CA LEU A 34 -3.705 -4.804 5.171 1.00 0.00 C ATOM 577 C LEU A 34 -2.737 -4.704 4.003 1.00 0.00 C ATOM 578 O LEU A 34 -2.150 -3.651 3.751 1.00 0.00 O ATOM 579 CB LEU A 34 -5.113 -5.061 4.628 1.00 0.00 C ATOM 580 CG LEU A 34 -6.216 -5.235 5.676 1.00 0.00 C ATOM 581 CD1 LEU A 34 -7.575 -5.369 5.005 1.00 0.00 C ATOM 582 CD2 LEU A 34 -5.937 -6.450 6.544 1.00 0.00 C ATOM 0 H LEU A 34 -3.770 -2.730 5.438 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.408 -5.631 5.816 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.386 -4.231 3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.084 -5.957 4.008 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.228 -4.349 6.310 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.346 -5.492 5.766 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.782 -4.473 4.420 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.572 -6.239 4.348 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.730 -6.559 7.283 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.898 -7.342 5.919 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.982 -6.322 7.053 1.00 0.00 H new ATOM 594 N ALA A 35 -2.607 -5.805 3.288 1.00 0.00 N ATOM 595 CA ALA A 35 -1.746 -5.889 2.121 1.00 0.00 C ATOM 596 C ALA A 35 -2.457 -6.636 1.003 1.00 0.00 C ATOM 597 O ALA A 35 -2.925 -7.761 1.195 1.00 0.00 O ATOM 598 CB ALA A 35 -0.438 -6.580 2.478 1.00 0.00 C ATOM 0 H ALA A 35 -3.099 -6.673 3.501 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.518 -4.880 1.777 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.197 -6.636 1.594 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.073 -6.013 3.256 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.645 -7.587 2.840 1.00 0.00 H new ATOM 604 N TYR A 36 -2.549 -6.005 -0.155 1.00 0.00 N ATOM 605 CA TYR A 36 -3.249 -6.595 -1.285 1.00 0.00 C ATOM 606 C TYR A 36 -2.248 -7.016 -2.352 1.00 0.00 C ATOM 607 O TYR A 36 -1.261 -6.322 -2.579 1.00 0.00 O ATOM 608 CB TYR A 36 -4.250 -5.594 -1.874 1.00 0.00 C ATOM 609 CG TYR A 36 -5.232 -5.043 -0.866 1.00 0.00 C ATOM 610 CD1 TYR A 36 -6.377 -5.749 -0.523 1.00 0.00 C ATOM 611 CD2 TYR A 36 -5.015 -3.813 -0.260 1.00 0.00 C ATOM 612 CE1 TYR A 36 -7.277 -5.246 0.398 1.00 0.00 C ATOM 613 CE2 TYR A 36 -5.910 -3.303 0.662 1.00 0.00 C ATOM 614 CZ TYR A 36 -7.038 -4.022 0.987 1.00 0.00 C ATOM 615 OH TYR A 36 -7.935 -3.514 1.900 1.00 0.00 O ATOM 0 H TYR A 36 -2.148 -5.085 -0.338 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.795 -7.473 -0.939 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -3.700 -4.766 -2.321 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -4.804 -6.079 -2.678 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.568 -6.707 -0.983 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -4.132 -3.245 -0.513 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.162 -5.808 0.655 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.725 -2.345 1.125 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.618 -2.644 2.221 1.00 0.00 H new ATOM 625 N PRO A 37 -2.493 -8.146 -3.029 1.00 0.00 N ATOM 626 CA PRO A 37 -1.586 -8.665 -4.051 1.00 0.00 C ATOM 627 C PRO A 37 -1.786 -8.016 -5.422 1.00 0.00 C ATOM 628 O PRO A 37 -2.914 -7.736 -5.839 1.00 0.00 O ATOM 629 CB PRO A 37 -1.942 -10.149 -4.101 1.00 0.00 C ATOM 630 CG PRO A 37 -3.380 -10.219 -3.713 1.00 0.00 C ATOM 631 CD PRO A 37 -3.662 -9.022 -2.835 1.00 0.00 C ATOM 0 HA PRO A 37 -0.543 -8.461 -3.808 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.783 -10.559 -5.098 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.321 -10.726 -3.416 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.018 -10.208 -4.596 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.590 -11.146 -3.180 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.586 -8.523 -3.127 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.773 -9.312 -1.790 1.00 0.00 H new ATOM 639 N ILE A 38 -0.677 -7.767 -6.105 1.00 0.00 N ATOM 640 CA ILE A 38 -0.696 -7.220 -7.454 1.00 0.00 C ATOM 641 C ILE A 38 -0.266 -8.274 -8.469 1.00 0.00 C ATOM 642 O ILE A 38 0.809 -8.864 -8.353 1.00 0.00 O ATOM 643 CB ILE A 38 0.230 -5.985 -7.562 1.00 0.00 C ATOM 644 CG1 ILE A 38 -0.437 -4.767 -6.919 1.00 0.00 C ATOM 645 CG2 ILE A 38 0.602 -5.692 -9.012 1.00 0.00 C ATOM 646 CD1 ILE A 38 -1.569 -4.196 -7.737 1.00 0.00 C ATOM 0 H ILE A 38 0.260 -7.938 -5.740 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.719 -6.912 -7.673 1.00 0.00 H new ATOM 0 HB ILE A 38 1.152 -6.207 -7.025 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.816 -5.047 -5.936 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.314 -3.992 -6.763 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.253 -4.819 -9.051 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.122 -6.551 -9.435 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.303 -5.496 -9.587 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.994 -3.336 -7.220 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.193 -3.884 -8.711 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.339 -4.955 -7.872 1.00 0.00 H new ATOM 658 N LYS A 39 -1.109 -8.515 -9.460 1.00 0.00 N ATOM 659 CA LYS A 39 -0.774 -9.456 -10.515 1.00 0.00 C ATOM 660 C LYS A 39 -0.554 -8.717 -11.833 1.00 0.00 C ATOM 661 O LYS A 39 -1.485 -8.546 -12.619 1.00 0.00 O ATOM 662 CB LYS A 39 -1.880 -10.506 -10.664 1.00 0.00 C ATOM 663 CG LYS A 39 -1.534 -11.632 -11.622 1.00 0.00 C ATOM 664 CD LYS A 39 -2.672 -12.631 -11.728 1.00 0.00 C ATOM 665 CE LYS A 39 -2.313 -13.795 -12.636 1.00 0.00 C ATOM 666 NZ LYS A 39 -3.438 -14.755 -12.772 1.00 0.00 N ATOM 0 H LYS A 39 -2.024 -8.075 -9.556 1.00 0.00 H new ATOM 0 HA LYS A 39 0.151 -9.967 -10.247 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.099 -10.930 -9.684 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.790 -10.015 -11.009 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.315 -11.220 -12.607 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.632 -12.139 -11.281 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.921 -13.007 -10.735 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.561 -12.131 -12.111 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.037 -13.417 -13.620 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.440 -14.312 -12.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.155 -15.535 -13.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.685 -15.135 -11.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.263 -14.268 -13.177 1.00 0.00 H new ATOM 680 N ASP A 40 0.673 -8.239 -12.041 1.00 0.00 N ATOM 681 CA ASP A 40 1.050 -7.546 -13.280 1.00 0.00 C ATOM 682 C ASP A 40 0.224 -6.270 -13.474 1.00 0.00 C ATOM 683 O ASP A 40 -0.060 -5.857 -14.596 1.00 0.00 O ATOM 684 CB ASP A 40 0.888 -8.483 -14.487 1.00 0.00 C ATOM 685 CG ASP A 40 1.529 -7.933 -15.749 1.00 0.00 C ATOM 686 OD1 ASP A 40 2.770 -7.826 -15.783 1.00 0.00 O ATOM 687 OD2 ASP A 40 0.799 -7.620 -16.716 1.00 0.00 O ATOM 0 H ASP A 40 1.431 -8.319 -11.363 1.00 0.00 H new ATOM 0 HA ASP A 40 2.098 -7.257 -13.200 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.331 -9.451 -14.252 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -0.173 -8.654 -14.669 1.00 0.00 H new ATOM 692 N GLY A 41 -0.143 -5.633 -12.375 1.00 0.00 N ATOM 693 CA GLY A 41 -0.935 -4.422 -12.459 1.00 0.00 C ATOM 694 C GLY A 41 -2.412 -4.688 -12.251 1.00 0.00 C ATOM 695 O GLY A 41 -3.250 -3.829 -12.525 1.00 0.00 O ATOM 0 H GLY A 41 0.091 -5.930 -11.428 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.587 -3.710 -11.711 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.785 -3.959 -13.434 1.00 0.00 H new ATOM 699 N ILE A 42 -2.728 -5.892 -11.793 1.00 0.00 N ATOM 700 CA ILE A 42 -4.095 -6.262 -11.439 1.00 0.00 C ATOM 701 C ILE A 42 -4.252 -6.300 -9.919 1.00 0.00 C ATOM 702 O ILE A 42 -3.951 -7.311 -9.283 1.00 0.00 O ATOM 703 CB ILE A 42 -4.508 -7.626 -12.042 1.00 0.00 C ATOM 704 CG1 ILE A 42 -4.400 -7.600 -13.572 1.00 0.00 C ATOM 705 CG2 ILE A 42 -5.929 -7.988 -11.623 1.00 0.00 C ATOM 706 CD1 ILE A 42 -5.322 -6.595 -14.234 1.00 0.00 C ATOM 0 H ILE A 42 -2.047 -6.639 -11.656 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.754 -5.503 -11.860 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.825 -8.385 -11.660 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.371 -7.373 -13.850 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.623 -8.594 -13.960 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.202 -8.950 -12.056 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.983 -8.051 -10.536 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.619 -7.222 -11.977 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.188 -6.636 -15.315 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.357 -6.833 -13.987 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.085 -5.593 -13.876 1.00 0.00 H new ATOM 718 N PRO A 43 -4.636 -5.168 -9.312 1.00 0.00 N ATOM 719 CA PRO A 43 -4.803 -5.063 -7.862 1.00 0.00 C ATOM 720 C PRO A 43 -5.961 -5.921 -7.357 1.00 0.00 C ATOM 721 O PRO A 43 -7.115 -5.699 -7.724 1.00 0.00 O ATOM 722 CB PRO A 43 -5.108 -3.576 -7.629 1.00 0.00 C ATOM 723 CG PRO A 43 -4.782 -2.889 -8.912 1.00 0.00 C ATOM 724 CD PRO A 43 -4.976 -3.910 -9.990 1.00 0.00 C ATOM 0 HA PRO A 43 -3.919 -5.414 -7.329 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.154 -3.429 -7.361 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.510 -3.178 -6.809 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.432 -2.028 -9.069 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.757 -2.518 -8.906 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.000 -3.915 -10.362 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -4.327 -3.723 -10.845 1.00 0.00 H new ATOM 732 N TYR A 44 -5.650 -6.899 -6.522 1.00 0.00 N ATOM 733 CA TYR A 44 -6.672 -7.759 -5.955 1.00 0.00 C ATOM 734 C TYR A 44 -7.032 -7.305 -4.550 1.00 0.00 C ATOM 735 O TYR A 44 -6.554 -7.858 -3.556 1.00 0.00 O ATOM 736 CB TYR A 44 -6.225 -9.223 -5.941 1.00 0.00 C ATOM 737 CG TYR A 44 -6.249 -9.889 -7.297 1.00 0.00 C ATOM 738 CD1 TYR A 44 -7.449 -10.297 -7.865 1.00 0.00 C ATOM 739 CD2 TYR A 44 -5.077 -10.126 -8.000 1.00 0.00 C ATOM 740 CE1 TYR A 44 -7.480 -10.915 -9.099 1.00 0.00 C ATOM 741 CE2 TYR A 44 -5.100 -10.742 -9.236 1.00 0.00 C ATOM 742 CZ TYR A 44 -6.303 -11.137 -9.779 1.00 0.00 C ATOM 743 OH TYR A 44 -6.329 -11.756 -11.008 1.00 0.00 O ATOM 0 H TYR A 44 -4.699 -7.116 -6.223 1.00 0.00 H new ATOM 0 HA TYR A 44 -7.557 -7.683 -6.587 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.214 -9.279 -5.539 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.869 -9.782 -5.262 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -8.373 -10.128 -7.332 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.132 -9.824 -7.574 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.422 -11.223 -9.529 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.179 -10.913 -9.774 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.581 -11.433 -11.553 1.00 0.00 H new ATOM 753 N MET A 45 -7.853 -6.273 -4.477 1.00 0.00 N ATOM 754 CA MET A 45 -8.361 -5.774 -3.204 1.00 0.00 C ATOM 755 C MET A 45 -9.436 -6.701 -2.652 1.00 0.00 C ATOM 756 O MET A 45 -10.602 -6.327 -2.532 1.00 0.00 O ATOM 757 CB MET A 45 -8.919 -4.353 -3.353 1.00 0.00 C ATOM 758 CG MET A 45 -7.878 -3.250 -3.224 1.00 0.00 C ATOM 759 SD MET A 45 -6.558 -3.366 -4.446 1.00 0.00 S ATOM 760 CE MET A 45 -5.589 -1.927 -4.016 1.00 0.00 C ATOM 0 H MET A 45 -8.187 -5.757 -5.291 1.00 0.00 H new ATOM 0 HA MET A 45 -7.528 -5.746 -2.502 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.403 -4.266 -4.326 1.00 0.00 H new ATOM 0 HB3 MET A 45 -9.690 -4.198 -2.598 1.00 0.00 H new ATOM 0 HG2 MET A 45 -8.370 -2.283 -3.322 1.00 0.00 H new ATOM 0 HG3 MET A 45 -7.443 -3.286 -2.225 1.00 0.00 H new ATOM 0 HE1 MET A 45 -4.802 -1.784 -4.757 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.233 -1.048 -3.996 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.140 -2.071 -3.033 1.00 0.00 H new ATOM 770 N LEU A 46 -9.037 -7.916 -2.324 1.00 0.00 N ATOM 771 CA LEU A 46 -9.946 -8.900 -1.796 1.00 0.00 C ATOM 772 C LEU A 46 -9.662 -9.107 -0.324 1.00 0.00 C ATOM 773 O LEU A 46 -8.731 -9.817 0.027 1.00 0.00 O ATOM 774 CB LEU A 46 -9.771 -10.210 -2.557 1.00 0.00 C ATOM 775 CG LEU A 46 -10.081 -10.134 -4.052 1.00 0.00 C ATOM 776 CD1 LEU A 46 -9.621 -11.399 -4.754 1.00 0.00 C ATOM 777 CD2 LEU A 46 -11.568 -9.910 -4.273 1.00 0.00 C ATOM 0 H LEU A 46 -8.075 -8.242 -2.418 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.974 -8.556 -1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.744 -10.552 -2.431 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.415 -10.964 -2.105 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.539 -9.289 -4.477 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.849 -11.328 -5.818 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.546 -11.519 -4.621 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.137 -12.260 -4.328 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.773 -9.858 -5.342 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -12.129 -10.736 -3.835 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.869 -8.975 -3.800 1.00 0.00 H new ATOM 789 N GLU A 47 -10.449 -8.471 0.528 1.00 0.00 N ATOM 790 CA GLU A 47 -10.229 -8.517 1.973 1.00 0.00 C ATOM 791 C GLU A 47 -10.210 -9.952 2.500 1.00 0.00 C ATOM 792 O GLU A 47 -9.548 -10.253 3.490 1.00 0.00 O ATOM 793 CB GLU A 47 -11.313 -7.715 2.681 1.00 0.00 C ATOM 794 CG GLU A 47 -11.289 -6.241 2.339 1.00 0.00 C ATOM 795 CD GLU A 47 -12.439 -5.483 2.959 1.00 0.00 C ATOM 796 OE1 GLU A 47 -13.567 -5.572 2.429 1.00 0.00 O ATOM 797 OE2 GLU A 47 -12.221 -4.792 3.974 1.00 0.00 O ATOM 0 H GLU A 47 -11.253 -7.911 0.246 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.252 -8.079 2.178 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.288 -8.126 2.419 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.197 -7.833 3.758 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.348 -5.808 2.679 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.322 -6.122 1.256 1.00 0.00 H new ATOM 804 N ASN A 48 -10.941 -10.822 1.827 1.00 0.00 N ATOM 805 CA ASN A 48 -10.991 -12.237 2.181 1.00 0.00 C ATOM 806 C ASN A 48 -9.628 -12.908 2.021 1.00 0.00 C ATOM 807 O ASN A 48 -9.290 -13.834 2.757 1.00 0.00 O ATOM 808 CB ASN A 48 -12.023 -12.951 1.303 1.00 0.00 C ATOM 809 CG ASN A 48 -12.132 -14.436 1.598 1.00 0.00 C ATOM 810 OD1 ASN A 48 -11.979 -14.876 2.738 1.00 0.00 O ATOM 811 ND2 ASN A 48 -12.398 -15.221 0.565 1.00 0.00 N ATOM 0 H ASN A 48 -11.516 -10.573 1.022 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.279 -12.310 3.230 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -12.998 -12.486 1.448 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.757 -12.814 0.255 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.483 -16.229 0.699 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -12.518 -14.818 -0.364 1.00 0.00 H new ATOM 818 N GLU A 49 -8.847 -12.431 1.067 1.00 0.00 N ATOM 819 CA GLU A 49 -7.579 -13.065 0.734 1.00 0.00 C ATOM 820 C GLU A 49 -6.388 -12.159 1.039 1.00 0.00 C ATOM 821 O GLU A 49 -5.248 -12.624 1.089 1.00 0.00 O ATOM 822 CB GLU A 49 -7.572 -13.464 -0.739 1.00 0.00 C ATOM 823 CG GLU A 49 -8.682 -14.435 -1.106 1.00 0.00 C ATOM 824 CD GLU A 49 -8.554 -14.968 -2.515 1.00 0.00 C ATOM 825 OE1 GLU A 49 -7.843 -15.975 -2.707 1.00 0.00 O ATOM 826 OE2 GLU A 49 -9.174 -14.398 -3.433 1.00 0.00 O ATOM 0 H GLU A 49 -9.067 -11.607 0.508 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.479 -13.954 1.356 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.667 -12.567 -1.351 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.610 -13.915 -0.981 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.675 -15.270 -0.405 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.645 -13.936 -0.997 1.00 0.00 H new ATOM 833 N ALA A 50 -6.651 -10.865 1.194 1.00 0.00 N ATOM 834 CA ALA A 50 -5.625 -9.904 1.577 1.00 0.00 C ATOM 835 C ALA A 50 -4.992 -10.257 2.919 1.00 0.00 C ATOM 836 O ALA A 50 -5.644 -10.815 3.808 1.00 0.00 O ATOM 837 CB ALA A 50 -6.210 -8.501 1.626 1.00 0.00 C ATOM 0 H ALA A 50 -7.576 -10.456 1.058 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.841 -9.941 0.821 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.433 -7.793 1.913 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.599 -8.234 0.643 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.018 -8.469 2.357 1.00 0.00 H new ATOM 843 N ARG A 51 -3.721 -9.918 3.055 1.00 0.00 N ATOM 844 CA ARG A 51 -2.967 -10.216 4.257 1.00 0.00 C ATOM 845 C ARG A 51 -3.036 -9.049 5.230 1.00 0.00 C ATOM 846 O ARG A 51 -3.169 -7.901 4.814 1.00 0.00 O ATOM 847 CB ARG A 51 -1.509 -10.489 3.894 1.00 0.00 C ATOM 848 CG ARG A 51 -1.318 -11.623 2.903 1.00 0.00 C ATOM 849 CD ARG A 51 -1.818 -12.942 3.461 1.00 0.00 C ATOM 850 NE ARG A 51 -1.553 -14.049 2.544 1.00 0.00 N ATOM 851 CZ ARG A 51 -1.598 -15.332 2.891 1.00 0.00 C ATOM 852 NH1 ARG A 51 -1.919 -15.682 4.128 1.00 0.00 N ATOM 853 NH2 ARG A 51 -1.330 -16.271 1.995 1.00 0.00 N ATOM 0 H ARG A 51 -3.186 -9.430 2.337 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.399 -11.097 4.731 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.073 -9.580 3.478 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.956 -10.720 4.805 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.849 -11.393 1.979 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.262 -11.712 2.650 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.336 -13.139 4.419 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.889 -12.875 3.651 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.319 -13.823 1.577 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.134 -14.965 4.821 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.951 -16.668 4.387 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.089 -16.010 1.039 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.365 -17.255 2.262 1.00 0.00 H new ATOM 867 N PRO A 52 -2.972 -9.324 6.535 1.00 0.00 N ATOM 868 CA PRO A 52 -2.878 -8.287 7.558 1.00 0.00 C ATOM 869 C PRO A 52 -1.445 -7.783 7.705 1.00 0.00 C ATOM 870 O PRO A 52 -0.492 -8.544 7.532 1.00 0.00 O ATOM 871 CB PRO A 52 -3.333 -8.997 8.846 1.00 0.00 C ATOM 872 CG PRO A 52 -3.703 -10.394 8.443 1.00 0.00 C ATOM 873 CD PRO A 52 -3.017 -10.657 7.134 1.00 0.00 C ATOM 0 HA PRO A 52 -3.481 -7.411 7.316 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.536 -9.004 9.589 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.183 -8.483 9.295 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.385 -11.113 9.199 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.784 -10.495 8.342 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.020 -11.074 7.274 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.574 -11.362 6.517 1.00 0.00 H new ATOM 881 N LEU A 53 -1.289 -6.504 8.011 1.00 0.00 N ATOM 882 CA LEU A 53 0.024 -5.928 8.196 1.00 0.00 C ATOM 883 C LEU A 53 0.394 -5.913 9.658 1.00 0.00 C ATOM 884 O LEU A 53 -0.442 -5.650 10.527 1.00 0.00 O ATOM 885 CB LEU A 53 0.090 -4.506 7.648 1.00 0.00 C ATOM 886 CG LEU A 53 0.377 -4.389 6.154 1.00 0.00 C ATOM 887 CD1 LEU A 53 0.383 -2.930 5.721 1.00 0.00 C ATOM 888 CD2 LEU A 53 1.700 -5.057 5.812 1.00 0.00 C ATOM 0 H LEU A 53 -2.060 -5.848 8.136 1.00 0.00 H new ATOM 0 HA LEU A 53 0.731 -6.549 7.646 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.858 -4.010 7.858 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.862 -3.961 8.192 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.417 -4.902 5.610 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.589 -2.868 4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.590 -2.485 5.929 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.154 -2.390 6.271 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.889 -4.964 4.743 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.505 -4.574 6.366 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.655 -6.112 6.082 1.00 0.00 H new ATOM 900 N SER A 54 1.645 -6.196 9.918 1.00 0.00 N ATOM 901 CA SER A 54 2.165 -6.153 11.260 1.00 0.00 C ATOM 902 C SER A 54 2.557 -4.718 11.594 1.00 0.00 C ATOM 903 O SER A 54 2.767 -3.910 10.691 1.00 0.00 O ATOM 904 CB SER A 54 3.363 -7.085 11.383 1.00 0.00 C ATOM 905 OG SER A 54 3.136 -8.295 10.676 1.00 0.00 O ATOM 0 H SER A 54 2.329 -6.461 9.209 1.00 0.00 H new ATOM 0 HA SER A 54 1.404 -6.487 11.965 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.254 -6.593 10.993 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.553 -7.303 12.434 1.00 0.00 H new ATOM 0 HG SER A 54 3.230 -8.134 9.714 1.00 0.00 H new ATOM 911 N GLU A 55 2.653 -4.407 12.877 1.00 0.00 N ATOM 912 CA GLU A 55 2.970 -3.072 13.328 1.00 0.00 C ATOM 913 C GLU A 55 4.315 -2.604 12.801 1.00 0.00 C ATOM 914 O GLU A 55 4.448 -1.469 12.356 1.00 0.00 O ATOM 915 CB GLU A 55 2.969 -3.051 14.842 1.00 0.00 C ATOM 916 CG GLU A 55 1.584 -2.927 15.442 1.00 0.00 C ATOM 917 CD GLU A 55 1.617 -2.654 16.927 1.00 0.00 C ATOM 918 OE1 GLU A 55 1.827 -3.606 17.705 1.00 0.00 O ATOM 919 OE2 GLU A 55 1.427 -1.486 17.320 1.00 0.00 O ATOM 0 H GLU A 55 2.512 -5.078 13.632 1.00 0.00 H new ATOM 0 HA GLU A 55 2.214 -2.388 12.941 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.436 -3.964 15.211 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.582 -2.218 15.187 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.045 -2.123 14.940 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.028 -3.846 15.258 1.00 0.00 H new ATOM 926 N GLU A 56 5.304 -3.481 12.868 1.00 0.00 N ATOM 927 CA GLU A 56 6.615 -3.211 12.328 1.00 0.00 C ATOM 928 C GLU A 56 6.526 -2.836 10.855 1.00 0.00 C ATOM 929 O GLU A 56 7.126 -1.861 10.414 1.00 0.00 O ATOM 930 CB GLU A 56 7.481 -4.446 12.492 1.00 0.00 C ATOM 931 CG GLU A 56 8.928 -4.180 12.190 1.00 0.00 C ATOM 932 CD GLU A 56 9.797 -5.407 12.331 1.00 0.00 C ATOM 933 OE1 GLU A 56 9.813 -6.238 11.402 1.00 0.00 O ATOM 934 OE2 GLU A 56 10.475 -5.541 13.369 1.00 0.00 O ATOM 0 H GLU A 56 5.214 -4.400 13.301 1.00 0.00 H new ATOM 0 HA GLU A 56 7.055 -2.372 12.867 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.389 -4.817 13.513 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.114 -5.233 11.832 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.016 -3.794 11.174 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.296 -3.402 12.859 1.00 0.00 H new ATOM 941 N GLU A 57 5.773 -3.632 10.110 1.00 0.00 N ATOM 942 CA GLU A 57 5.530 -3.378 8.698 1.00 0.00 C ATOM 943 C GLU A 57 4.903 -2.004 8.501 1.00 0.00 C ATOM 944 O GLU A 57 5.395 -1.191 7.721 1.00 0.00 O ATOM 945 CB GLU A 57 4.618 -4.462 8.130 1.00 0.00 C ATOM 946 CG GLU A 57 5.232 -5.852 8.181 1.00 0.00 C ATOM 947 CD GLU A 57 4.356 -6.913 7.547 1.00 0.00 C ATOM 948 OE1 GLU A 57 3.288 -7.222 8.114 1.00 0.00 O ATOM 949 OE2 GLU A 57 4.748 -7.461 6.494 1.00 0.00 O ATOM 0 H GLU A 57 5.314 -4.470 10.467 1.00 0.00 H new ATOM 0 HA GLU A 57 6.482 -3.398 8.168 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.680 -4.466 8.686 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.375 -4.217 7.096 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.197 -5.835 7.674 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.423 -6.120 9.220 1.00 0.00 H new ATOM 956 N LEU A 58 3.809 -1.771 9.212 1.00 0.00 N ATOM 957 CA LEU A 58 3.162 -0.461 9.264 1.00 0.00 C ATOM 958 C LEU A 58 4.167 0.656 9.558 1.00 0.00 C ATOM 959 O LEU A 58 4.141 1.719 8.932 1.00 0.00 O ATOM 960 CB LEU A 58 2.091 -0.472 10.350 1.00 0.00 C ATOM 961 CG LEU A 58 0.934 -1.441 10.119 1.00 0.00 C ATOM 962 CD1 LEU A 58 -0.004 -1.443 11.315 1.00 0.00 C ATOM 963 CD2 LEU A 58 0.173 -1.083 8.849 1.00 0.00 C ATOM 0 H LEU A 58 3.341 -2.484 9.771 1.00 0.00 H new ATOM 0 HA LEU A 58 2.716 -0.266 8.289 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.564 -0.718 11.301 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.685 0.535 10.447 1.00 0.00 H new ATOM 0 HG LEU A 58 1.348 -2.442 9.999 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.823 -2.139 11.134 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.543 -1.751 12.206 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.406 -0.441 11.464 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.647 -1.787 8.705 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.227 -0.073 8.937 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.848 -1.132 7.994 1.00 0.00 H new ATOM 975 N LYS A 59 5.037 0.406 10.525 1.00 0.00 N ATOM 976 CA LYS A 59 6.041 1.362 10.954 1.00 0.00 C ATOM 977 C LYS A 59 7.099 1.609 9.882 1.00 0.00 C ATOM 978 O LYS A 59 7.662 2.703 9.787 1.00 0.00 O ATOM 979 CB LYS A 59 6.708 0.832 12.215 1.00 0.00 C ATOM 980 CG LYS A 59 6.184 1.435 13.506 1.00 0.00 C ATOM 981 CD LYS A 59 6.893 0.839 14.710 1.00 0.00 C ATOM 982 CE LYS A 59 6.423 1.458 16.014 1.00 0.00 C ATOM 983 NZ LYS A 59 7.110 0.856 17.187 1.00 0.00 N ATOM 0 H LYS A 59 5.064 -0.475 11.038 1.00 0.00 H new ATOM 0 HA LYS A 59 5.546 2.314 11.145 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.575 -0.249 12.254 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.780 1.020 12.150 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.328 2.515 13.492 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.112 1.257 13.586 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.719 -0.237 14.737 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.968 0.986 14.606 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.609 2.532 15.995 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.346 1.323 16.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.764 1.304 18.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.912 -0.164 17.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.136 1.007 17.104 1.00 0.00 H new ATOM 997 N ALA A 60 7.348 0.604 9.064 1.00 0.00 N ATOM 998 CA ALA A 60 8.419 0.665 8.077 1.00 0.00 C ATOM 999 C ALA A 60 7.961 1.364 6.810 1.00 0.00 C ATOM 1000 O ALA A 60 8.620 1.303 5.771 1.00 0.00 O ATOM 1001 CB ALA A 60 8.935 -0.732 7.768 1.00 0.00 C ATOM 0 H ALA A 60 6.822 -0.270 9.061 1.00 0.00 H new ATOM 0 HA ALA A 60 9.236 1.250 8.500 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.734 -0.670 7.029 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.319 -1.188 8.680 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.122 -1.341 7.372 1.00 0.00 H new ATOM 1007 N LEU A 61 6.842 2.048 6.918 1.00 0.00 N ATOM 1008 CA LEU A 61 6.306 2.831 5.818 1.00 0.00 C ATOM 1009 C LEU A 61 6.318 4.301 6.189 1.00 0.00 C ATOM 1010 O LEU A 61 5.810 5.150 5.455 1.00 0.00 O ATOM 1011 CB LEU A 61 4.884 2.382 5.483 1.00 0.00 C ATOM 1012 CG LEU A 61 4.732 0.900 5.130 1.00 0.00 C ATOM 1013 CD1 LEU A 61 3.271 0.552 4.909 1.00 0.00 C ATOM 1014 CD2 LEU A 61 5.561 0.553 3.901 1.00 0.00 C ATOM 0 H LEU A 61 6.277 2.079 7.767 1.00 0.00 H new ATOM 0 HA LEU A 61 6.929 2.677 4.937 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.241 2.604 6.334 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.520 2.977 4.645 1.00 0.00 H new ATOM 0 HG LEU A 61 5.101 0.308 5.967 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.183 -0.505 4.659 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.706 0.758 5.818 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.874 1.153 4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.439 -0.505 3.667 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.226 1.153 3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.612 0.762 4.100 1.00 0.00 H new ATOM 1026 N GLU A 62 6.950 4.569 7.321 1.00 0.00 N ATOM 1027 CA GLU A 62 6.997 5.898 7.931 1.00 0.00 C ATOM 1028 C GLU A 62 5.625 6.320 8.446 1.00 0.00 C ATOM 1029 O GLU A 62 4.595 6.093 7.807 1.00 0.00 O ATOM 1030 CB GLU A 62 7.517 6.966 6.958 1.00 0.00 C ATOM 1031 CG GLU A 62 7.572 8.363 7.567 1.00 0.00 C ATOM 1032 CD GLU A 62 7.597 9.461 6.526 1.00 0.00 C ATOM 1033 OE1 GLU A 62 8.692 9.789 6.023 1.00 0.00 O ATOM 1034 OE2 GLU A 62 6.519 10.011 6.212 1.00 0.00 O ATOM 0 H GLU A 62 7.454 3.861 7.854 1.00 0.00 H new ATOM 0 HA GLU A 62 7.692 5.823 8.767 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.515 6.685 6.621 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.876 6.987 6.076 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.708 8.505 8.216 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.459 8.445 8.195 1.00 0.00 H new ATOM 1041 N HIS A 63 5.614 6.932 9.614 1.00 0.00 N ATOM 1042 CA HIS A 63 4.412 7.582 10.097 1.00 0.00 C ATOM 1043 C HIS A 63 4.279 8.916 9.386 1.00 0.00 C ATOM 1044 O HIS A 63 4.898 9.898 9.796 1.00 0.00 O ATOM 1045 CB HIS A 63 4.452 7.805 11.616 1.00 0.00 C ATOM 1046 CG HIS A 63 4.553 6.550 12.424 1.00 0.00 C ATOM 1047 ND1 HIS A 63 5.630 6.272 13.234 1.00 0.00 N ATOM 1048 CD2 HIS A 63 3.700 5.510 12.562 1.00 0.00 C ATOM 1049 CE1 HIS A 63 5.439 5.114 13.835 1.00 0.00 C ATOM 1050 NE2 HIS A 63 4.273 4.628 13.446 1.00 0.00 N ATOM 0 H HIS A 63 6.416 6.993 10.241 1.00 0.00 H new ATOM 0 HA HIS A 63 3.556 6.940 9.888 1.00 0.00 H new ATOM 0 HB2 HIS A 63 5.301 8.445 11.854 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.553 8.344 11.915 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.746 5.394 12.069 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.120 4.642 14.528 1.00 0.00 H new ATOM 0 HE2 HIS A 63 3.866 3.744 13.752 1.00 0.00 H new ATOM 1059 N HIS A 64 3.543 8.929 8.277 1.00 0.00 N ATOM 1060 CA HIS A 64 3.307 10.166 7.536 1.00 0.00 C ATOM 1061 C HIS A 64 2.570 11.152 8.442 1.00 0.00 C ATOM 1062 O HIS A 64 1.343 11.126 8.540 1.00 0.00 O ATOM 1063 CB HIS A 64 2.501 9.909 6.250 1.00 0.00 C ATOM 1064 CG HIS A 64 3.139 8.943 5.285 1.00 0.00 C ATOM 1065 ND1 HIS A 64 4.493 8.906 5.017 1.00 0.00 N ATOM 1066 CD2 HIS A 64 2.585 7.974 4.514 1.00 0.00 C ATOM 1067 CE1 HIS A 64 4.740 7.960 4.124 1.00 0.00 C ATOM 1068 NE2 HIS A 64 3.600 7.380 3.802 1.00 0.00 N ATOM 0 H HIS A 64 3.102 8.102 7.873 1.00 0.00 H new ATOM 0 HA HIS A 64 4.267 10.585 7.235 1.00 0.00 H new ATOM 0 HB2 HIS A 64 1.517 9.529 6.525 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.345 10.860 5.740 1.00 0.00 H new ATOM 0 HD1 HIS A 64 5.194 9.513 5.441 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.537 7.716 4.468 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.711 7.706 3.726 1.00 0.00 H new ATOM 1077 N HIS A 65 3.335 11.996 9.122 1.00 0.00 N ATOM 1078 CA HIS A 65 2.817 12.805 10.219 1.00 0.00 C ATOM 1079 C HIS A 65 3.605 14.106 10.346 1.00 0.00 C ATOM 1080 O HIS A 65 4.818 14.132 10.137 1.00 0.00 O ATOM 1081 CB HIS A 65 2.902 11.978 11.515 1.00 0.00 C ATOM 1082 CG HIS A 65 2.596 12.720 12.782 1.00 0.00 C ATOM 1083 ND1 HIS A 65 1.319 12.950 13.232 1.00 0.00 N ATOM 1084 CD2 HIS A 65 3.421 13.250 13.715 1.00 0.00 C ATOM 1085 CE1 HIS A 65 1.369 13.586 14.386 1.00 0.00 C ATOM 1086 NE2 HIS A 65 2.636 13.782 14.707 1.00 0.00 N ATOM 0 H HIS A 65 4.327 12.139 8.931 1.00 0.00 H new ATOM 0 HA HIS A 65 1.778 13.073 10.026 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.214 11.137 11.433 1.00 0.00 H new ATOM 0 HB3 HIS A 65 3.906 11.562 11.593 1.00 0.00 H new ATOM 0 HD2 HIS A 65 4.501 13.254 13.684 1.00 0.00 H new ATOM 0 HE1 HIS A 65 0.516 13.895 14.972 1.00 0.00 H new ATOM 0 HE2 HIS A 65 2.973 14.249 15.549 1.00 0.00 H new ATOM 1095 N HIS A 66 2.909 15.182 10.675 1.00 0.00 N ATOM 1096 CA HIS A 66 3.538 16.483 10.851 1.00 0.00 C ATOM 1097 C HIS A 66 3.906 16.680 12.319 1.00 0.00 C ATOM 1098 O HIS A 66 3.031 16.690 13.182 1.00 0.00 O ATOM 1099 CB HIS A 66 2.581 17.592 10.386 1.00 0.00 C ATOM 1100 CG HIS A 66 3.178 18.970 10.365 1.00 0.00 C ATOM 1101 ND1 HIS A 66 3.266 19.730 9.221 1.00 0.00 N ATOM 1102 CD2 HIS A 66 3.693 19.735 11.357 1.00 0.00 C ATOM 1103 CE1 HIS A 66 3.810 20.895 9.507 1.00 0.00 C ATOM 1104 NE2 HIS A 66 4.078 20.925 10.797 1.00 0.00 N ATOM 0 H HIS A 66 1.900 15.180 10.827 1.00 0.00 H new ATOM 0 HA HIS A 66 4.446 16.531 10.250 1.00 0.00 H new ATOM 0 HB2 HIS A 66 2.226 17.350 9.384 1.00 0.00 H new ATOM 0 HB3 HIS A 66 1.709 17.599 11.040 1.00 0.00 H new ATOM 0 HD2 HIS A 66 3.783 19.458 12.397 1.00 0.00 H new ATOM 0 HE1 HIS A 66 4.004 21.691 8.803 1.00 0.00 H new ATOM 0 HE2 HIS A 66 4.503 21.706 11.297 1.00 0.00 H new ATOM 1113 N HIS A 67 5.192 16.827 12.601 1.00 0.00 N ATOM 1114 CA HIS A 67 5.648 17.033 13.972 1.00 0.00 C ATOM 1115 C HIS A 67 6.601 18.219 14.051 1.00 0.00 C ATOM 1116 O HIS A 67 7.813 18.044 14.178 1.00 0.00 O ATOM 1117 CB HIS A 67 6.320 15.769 14.529 1.00 0.00 C ATOM 1118 CG HIS A 67 6.745 15.894 15.967 1.00 0.00 C ATOM 1119 ND1 HIS A 67 8.064 15.933 16.367 1.00 0.00 N ATOM 1120 CD2 HIS A 67 6.012 15.985 17.100 1.00 0.00 C ATOM 1121 CE1 HIS A 67 8.120 16.042 17.681 1.00 0.00 C ATOM 1122 NE2 HIS A 67 6.888 16.076 18.150 1.00 0.00 N ATOM 0 H HIS A 67 5.937 16.808 11.904 1.00 0.00 H new ATOM 0 HA HIS A 67 4.773 17.249 14.584 1.00 0.00 H new ATOM 0 HB2 HIS A 67 5.631 14.930 14.435 1.00 0.00 H new ATOM 0 HB3 HIS A 67 7.193 15.534 13.920 1.00 0.00 H new ATOM 0 HD2 HIS A 67 4.934 15.986 17.165 1.00 0.00 H new ATOM 0 HE1 HIS A 67 9.022 16.094 18.272 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.629 16.157 19.133 1.00 0.00 H new ATOM 1131 N HIS A 68 6.024 19.412 13.932 1.00 0.00 N ATOM 1132 CA HIS A 68 6.731 20.684 14.076 1.00 0.00 C ATOM 1133 C HIS A 68 5.877 21.777 13.456 1.00 0.00 C ATOM 1134 O HIS A 68 5.007 22.323 14.157 1.00 0.00 O ATOM 1135 CB HIS A 68 8.115 20.683 13.405 1.00 0.00 C ATOM 1136 CG HIS A 68 9.000 21.794 13.876 1.00 0.00 C ATOM 1137 ND1 HIS A 68 10.004 21.609 14.799 1.00 0.00 N ATOM 1138 CD2 HIS A 68 9.029 23.108 13.550 1.00 0.00 C ATOM 1139 CE1 HIS A 68 10.609 22.759 15.026 1.00 0.00 C ATOM 1140 NE2 HIS A 68 10.037 23.684 14.280 1.00 0.00 N ATOM 1141 OXT HIS A 68 6.050 22.053 12.249 1.00 0.00 O ATOM 0 H HIS A 68 5.031 19.525 13.728 1.00 0.00 H new ATOM 0 HA HIS A 68 6.895 20.854 15.140 1.00 0.00 H new ATOM 0 HB2 HIS A 68 8.605 19.729 13.600 1.00 0.00 H new ATOM 0 HB3 HIS A 68 7.988 20.761 12.325 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.380 23.609 12.847 1.00 0.00 H new ATOM 0 HE1 HIS A 68 11.433 22.916 15.707 1.00 0.00 H new ATOM 0 HE2 HIS A 68 10.302 24.669 14.251 1.00 0.00 H new TER 1150 HIS A 68