USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 479 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 154:sc= -0.0309 (180deg=-0.794) USER MOD Single : A 12 GLN : amide:sc= -1.32 X(o=-1.3,f=-1.4) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0466 USER MOD Single : A 19 ASN : amide:sc= -1.38 X(o=-1.4,f=-1.2) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.539) USER MOD Single : A 29 TYR OH : rot 15:sc= -0.987 USER MOD Single : A 31 LYS NZ :NH3+ -162:sc= -0.0244 (180deg=-0.282) USER MOD Single : A 39 GLN : amide:sc= -0.0574 X(o=-0.057,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 1.4 K(o=1.4,f=-1.9!) USER MOD Single : A 59 SER OG : rot -43:sc= -0.385! USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 169:sc=-0.00835 (180deg=-0.138) USER MOD Single : A 64 ASN : amide:sc= -3.84 K(o=-3.8,f=-4.5!) USER MOD Single : A 65 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0535) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.157 0.561 -0.236 1.00 0.00 N ATOM 2 CA LEU A 1 2.119 0.447 -1.326 1.00 0.00 C ATOM 3 C LEU A 1 1.624 -0.528 -2.390 1.00 0.00 C ATOM 4 O LEU A 1 0.995 -1.540 -2.077 1.00 0.00 O ATOM 5 CB LEU A 1 3.476 -0.013 -0.789 1.00 0.00 C ATOM 6 CG LEU A 1 4.649 0.938 -1.027 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.869 1.153 -2.516 1.00 0.00 C ATOM 8 CD2 LEU A 1 4.410 2.266 -0.324 1.00 0.00 C ATOM 0 H1 LEU A 1 1.516 1.230 0.475 1.00 0.00 H new ATOM 0 H2 LEU A 1 0.249 0.906 -0.609 1.00 0.00 H new ATOM 0 H3 LEU A 1 1.019 -0.371 0.204 1.00 0.00 H new ATOM 0 HA LEU A 1 2.230 1.430 -1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.382 -0.180 0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.716 -0.975 -1.242 1.00 0.00 H new ATOM 0 HG LEU A 1 5.549 0.486 -0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 1 5.708 1.833 -2.665 1.00 0.00 H new ATOM 0 HD12 LEU A 1 5.087 0.198 -2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 1 3.970 1.583 -2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 1 5.255 2.930 -0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.500 2.724 -0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.304 2.097 0.748 1.00 0.00 H new ATOM 20 N THR A 2 1.912 -0.217 -3.650 1.00 0.00 N ATOM 21 CA THR A 2 1.497 -1.065 -4.760 1.00 0.00 C ATOM 22 C THR A 2 2.662 -1.901 -5.279 1.00 0.00 C ATOM 23 O THR A 2 3.713 -1.367 -5.635 1.00 0.00 O ATOM 24 CB THR A 2 0.922 -0.231 -5.920 1.00 0.00 C ATOM 25 OG1 THR A 2 -0.033 0.711 -5.419 1.00 0.00 O ATOM 26 CG2 THR A 2 0.262 -1.127 -6.957 1.00 0.00 C ATOM 0 H THR A 2 2.431 0.616 -3.927 1.00 0.00 H new ATOM 0 HA THR A 2 0.720 -1.727 -4.378 1.00 0.00 H new ATOM 0 HB THR A 2 1.744 0.303 -6.396 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.393 1.239 -6.162 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.136 -0.515 -7.766 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.999 -1.823 -7.358 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.550 -1.686 -6.491 1.00 0.00 H new ATOM 34 N CYS A 3 2.469 -3.215 -5.321 1.00 0.00 N ATOM 35 CA CYS A 3 3.503 -4.125 -5.797 1.00 0.00 C ATOM 36 C CYS A 3 2.893 -5.270 -6.601 1.00 0.00 C ATOM 37 O CYS A 3 1.851 -5.815 -6.233 1.00 0.00 O ATOM 38 CB CYS A 3 4.302 -4.685 -4.618 1.00 0.00 C ATOM 39 SG CYS A 3 3.331 -4.882 -3.089 1.00 0.00 S ATOM 0 H CYS A 3 1.605 -3.673 -5.031 1.00 0.00 H new ATOM 0 HA CYS A 3 4.173 -3.564 -6.448 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.716 -5.653 -4.900 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.145 -4.024 -4.418 1.00 0.00 H new ATOM 44 N LEU A 4 3.548 -5.629 -7.699 1.00 0.00 N ATOM 45 CA LEU A 4 3.070 -6.709 -8.556 1.00 0.00 C ATOM 46 C LEU A 4 3.289 -8.066 -7.895 1.00 0.00 C ATOM 47 O LEU A 4 4.132 -8.206 -7.009 1.00 0.00 O ATOM 48 CB LEU A 4 3.784 -6.667 -9.909 1.00 0.00 C ATOM 49 CG LEU A 4 3.550 -5.413 -10.752 1.00 0.00 C ATOM 50 CD1 LEU A 4 4.770 -4.505 -10.710 1.00 0.00 C ATOM 51 CD2 LEU A 4 3.214 -5.791 -12.188 1.00 0.00 C ATOM 0 H LEU A 4 4.411 -5.189 -8.017 1.00 0.00 H new ATOM 0 HA LEU A 4 2.000 -6.570 -8.712 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.855 -6.769 -9.735 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.471 -7.535 -10.490 1.00 0.00 H new ATOM 0 HG LEU A 4 2.704 -4.869 -10.332 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.584 -3.618 -11.316 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.966 -4.207 -9.680 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.635 -5.039 -11.104 1.00 0.00 H new ATOM 0 HD21 LEU A 4 3.051 -4.886 -12.774 1.00 0.00 H new ATOM 0 HD22 LEU A 4 4.040 -6.357 -12.618 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.310 -6.400 -12.202 1.00 0.00 H new ATOM 63 N ILE A 5 2.526 -9.061 -8.333 1.00 0.00 N ATOM 64 CA ILE A 5 2.639 -10.408 -7.786 1.00 0.00 C ATOM 65 C ILE A 5 1.962 -11.429 -8.694 1.00 0.00 C ATOM 66 O ILE A 5 0.872 -11.187 -9.214 1.00 0.00 O ATOM 67 CB ILE A 5 2.020 -10.497 -6.379 1.00 0.00 C ATOM 68 CG1 ILE A 5 2.000 -11.950 -5.898 1.00 0.00 C ATOM 69 CG2 ILE A 5 0.615 -9.914 -6.381 1.00 0.00 C ATOM 70 CD1 ILE A 5 1.193 -12.157 -4.635 1.00 0.00 C ATOM 0 H ILE A 5 1.823 -8.960 -9.065 1.00 0.00 H new ATOM 0 HA ILE A 5 3.703 -10.634 -7.721 1.00 0.00 H new ATOM 0 HB ILE A 5 2.633 -9.915 -5.691 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.592 -12.580 -6.688 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.024 -12.281 -5.724 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.191 -9.984 -5.379 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.655 -8.868 -6.686 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.009 -10.471 -7.079 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.223 -13.209 -4.353 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.614 -11.553 -3.831 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.160 -11.858 -4.810 1.00 0.00 H new ATOM 82 N CYS A 6 2.613 -12.572 -8.878 1.00 0.00 N ATOM 83 CA CYS A 6 2.074 -13.632 -9.721 1.00 0.00 C ATOM 84 C CYS A 6 3.084 -14.764 -9.885 1.00 0.00 C ATOM 85 O CYS A 6 4.033 -14.675 -10.663 1.00 0.00 O ATOM 86 CB CYS A 6 1.689 -13.075 -11.093 1.00 0.00 C ATOM 87 SG CYS A 6 1.355 -14.353 -12.348 1.00 0.00 S ATOM 0 H CYS A 6 3.515 -12.788 -8.454 1.00 0.00 H new ATOM 0 HA CYS A 6 1.184 -14.031 -9.235 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.804 -12.449 -10.983 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.493 -12.431 -11.450 1.00 0.00 H new ATOM 92 N PRO A 7 2.876 -15.856 -9.133 1.00 0.00 N ATOM 93 CA PRO A 7 3.757 -17.027 -9.177 1.00 0.00 C ATOM 94 C PRO A 7 3.641 -17.790 -10.492 1.00 0.00 C ATOM 95 O PRO A 7 3.078 -18.883 -10.538 1.00 0.00 O ATOM 96 CB PRO A 7 3.260 -17.888 -8.013 1.00 0.00 C ATOM 97 CG PRO A 7 1.836 -17.491 -7.829 1.00 0.00 C ATOM 98 CD PRO A 7 1.764 -16.031 -8.183 1.00 0.00 C ATOM 0 HA PRO A 7 4.808 -16.750 -9.101 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.349 -18.950 -8.240 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.842 -17.706 -7.109 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.181 -18.081 -8.470 1.00 0.00 H new ATOM 0 HG3 PRO A 7 1.513 -17.660 -6.802 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.806 -15.773 -8.634 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.883 -15.398 -7.304 1.00 0.00 H new ATOM 106 N GLU A 8 4.178 -17.206 -11.559 1.00 0.00 N ATOM 107 CA GLU A 8 4.134 -17.833 -12.875 1.00 0.00 C ATOM 108 C GLU A 8 5.333 -17.411 -13.719 1.00 0.00 C ATOM 109 O GLU A 8 6.049 -16.469 -13.375 1.00 0.00 O ATOM 110 CB GLU A 8 2.835 -17.467 -13.596 1.00 0.00 C ATOM 111 CG GLU A 8 1.584 -17.916 -12.860 1.00 0.00 C ATOM 112 CD GLU A 8 1.472 -19.426 -12.767 1.00 0.00 C ATOM 113 OE1 GLU A 8 2.188 -20.120 -13.518 1.00 0.00 O ATOM 114 OE2 GLU A 8 0.670 -19.912 -11.943 1.00 0.00 O ATOM 0 H GLU A 8 4.648 -16.301 -11.538 1.00 0.00 H new ATOM 0 HA GLU A 8 4.172 -18.913 -12.736 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.798 -16.386 -13.733 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.842 -17.915 -14.590 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.586 -17.493 -11.855 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.705 -17.521 -13.370 1.00 0.00 H new ATOM 121 N LYS A 9 5.547 -18.114 -14.826 1.00 0.00 N ATOM 122 CA LYS A 9 6.658 -17.814 -15.721 1.00 0.00 C ATOM 123 C LYS A 9 6.683 -16.332 -16.080 1.00 0.00 C ATOM 124 O LYS A 9 7.476 -15.564 -15.534 1.00 0.00 O ATOM 125 CB LYS A 9 6.556 -18.656 -16.995 1.00 0.00 C ATOM 126 CG LYS A 9 7.137 -20.052 -16.849 1.00 0.00 C ATOM 127 CD LYS A 9 6.098 -21.039 -16.344 1.00 0.00 C ATOM 128 CE LYS A 9 6.508 -21.646 -15.011 1.00 0.00 C ATOM 129 NZ LYS A 9 5.731 -21.071 -13.877 1.00 0.00 N ATOM 0 H LYS A 9 4.965 -18.896 -15.125 1.00 0.00 H new ATOM 0 HA LYS A 9 7.585 -18.060 -15.203 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.508 -18.736 -17.285 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.072 -18.139 -17.804 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.523 -20.389 -17.811 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.980 -20.026 -16.159 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.138 -20.535 -16.235 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.960 -21.832 -17.079 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.360 -22.725 -15.043 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.572 -21.475 -14.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.693 -21.759 -13.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.192 -20.199 -13.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.765 -20.853 -14.194 1.00 0.00 H new ATOM 143 N ASP A 10 5.809 -15.936 -16.999 1.00 0.00 N ATOM 144 CA ASP A 10 5.729 -14.544 -17.428 1.00 0.00 C ATOM 145 C ASP A 10 4.359 -13.955 -17.108 1.00 0.00 C ATOM 146 O ASP A 10 3.447 -13.991 -17.935 1.00 0.00 O ATOM 147 CB ASP A 10 6.008 -14.434 -18.928 1.00 0.00 C ATOM 148 CG ASP A 10 5.681 -13.060 -19.478 1.00 0.00 C ATOM 149 OD1 ASP A 10 5.715 -12.085 -18.699 1.00 0.00 O ATOM 150 OD2 ASP A 10 5.389 -12.959 -20.689 1.00 0.00 O ATOM 0 H ASP A 10 5.146 -16.559 -17.461 1.00 0.00 H new ATOM 0 HA ASP A 10 6.484 -13.977 -16.883 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.058 -14.657 -19.117 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.422 -15.184 -19.460 1.00 0.00 H new ATOM 155 N CYS A 11 4.220 -13.414 -15.903 1.00 0.00 N ATOM 156 CA CYS A 11 2.961 -12.818 -15.472 1.00 0.00 C ATOM 157 C CYS A 11 3.152 -12.008 -14.193 1.00 0.00 C ATOM 158 O CYS A 11 3.873 -12.422 -13.286 1.00 0.00 O ATOM 159 CB CYS A 11 1.908 -13.906 -15.246 1.00 0.00 C ATOM 160 SG CYS A 11 0.612 -13.450 -14.051 1.00 0.00 S ATOM 0 H CYS A 11 4.964 -13.376 -15.207 1.00 0.00 H new ATOM 0 HA CYS A 11 2.618 -12.147 -16.259 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.439 -14.146 -16.200 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.405 -14.811 -14.898 1.00 0.00 H new ATOM 165 N GLN A 12 2.501 -10.851 -14.130 1.00 0.00 N ATOM 166 CA GLN A 12 2.600 -9.982 -12.963 1.00 0.00 C ATOM 167 C GLN A 12 1.290 -9.238 -12.725 1.00 0.00 C ATOM 168 O GLN A 12 0.879 -8.407 -13.536 1.00 0.00 O ATOM 169 CB GLN A 12 3.743 -8.982 -13.141 1.00 0.00 C ATOM 170 CG GLN A 12 3.623 -8.138 -14.399 1.00 0.00 C ATOM 171 CD GLN A 12 4.903 -7.397 -14.730 1.00 0.00 C ATOM 172 OE1 GLN A 12 4.900 -6.179 -14.913 1.00 0.00 O ATOM 173 NE2 GLN A 12 6.009 -8.129 -14.807 1.00 0.00 N ATOM 0 H GLN A 12 1.900 -10.494 -14.873 1.00 0.00 H new ATOM 0 HA GLN A 12 2.805 -10.606 -12.093 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.776 -8.323 -12.273 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.688 -9.524 -13.166 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.352 -8.779 -15.238 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.814 -7.419 -14.273 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.966 -9.136 -14.648 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.901 -7.684 -15.025 1.00 0.00 H new ATOM 182 N LYS A 13 0.636 -9.541 -11.609 1.00 0.00 N ATOM 183 CA LYS A 13 -0.627 -8.901 -11.263 1.00 0.00 C ATOM 184 C LYS A 13 -0.438 -7.902 -10.126 1.00 0.00 C ATOM 185 O LYS A 13 0.005 -8.264 -9.036 1.00 0.00 O ATOM 186 CB LYS A 13 -1.663 -9.954 -10.864 1.00 0.00 C ATOM 187 CG LYS A 13 -3.066 -9.645 -11.357 1.00 0.00 C ATOM 188 CD LYS A 13 -3.200 -9.893 -12.850 1.00 0.00 C ATOM 189 CE LYS A 13 -4.654 -10.080 -13.256 1.00 0.00 C ATOM 190 NZ LYS A 13 -5.439 -8.824 -13.099 1.00 0.00 N ATOM 0 H LYS A 13 0.961 -10.227 -10.928 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.985 -8.362 -12.140 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.354 -10.923 -11.257 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.680 -10.042 -9.778 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.786 -10.262 -10.819 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.309 -8.606 -11.137 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.773 -9.054 -13.399 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.627 -10.779 -13.126 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.702 -10.411 -14.293 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.102 -10.867 -12.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.424 -8.992 -13.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.415 -8.521 -12.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.027 -8.080 -13.697 1.00 0.00 H new ATOM 204 N VAL A 14 -0.777 -6.644 -10.387 1.00 0.00 N ATOM 205 CA VAL A 14 -0.647 -5.593 -9.385 1.00 0.00 C ATOM 206 C VAL A 14 -1.419 -5.944 -8.118 1.00 0.00 C ATOM 207 O VAL A 14 -2.569 -6.380 -8.179 1.00 0.00 O ATOM 208 CB VAL A 14 -1.150 -4.240 -9.922 1.00 0.00 C ATOM 209 CG1 VAL A 14 -0.325 -3.801 -11.121 1.00 0.00 C ATOM 210 CG2 VAL A 14 -2.626 -4.326 -10.282 1.00 0.00 C ATOM 0 H VAL A 14 -1.144 -6.328 -11.285 1.00 0.00 H new ATOM 0 HA VAL A 14 0.414 -5.509 -9.149 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.033 -3.491 -9.138 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.695 -2.843 -11.486 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.719 -3.698 -10.826 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.407 -4.547 -11.912 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.965 -3.361 -10.660 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.770 -5.087 -11.049 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.202 -4.591 -9.395 1.00 0.00 H new ATOM 220 N HIS A 15 -0.780 -5.750 -6.969 1.00 0.00 N ATOM 221 CA HIS A 15 -1.407 -6.044 -5.685 1.00 0.00 C ATOM 222 C HIS A 15 -0.927 -5.074 -4.611 1.00 0.00 C ATOM 223 O HIS A 15 0.274 -4.939 -4.372 1.00 0.00 O ATOM 224 CB HIS A 15 -1.103 -7.482 -5.263 1.00 0.00 C ATOM 225 CG HIS A 15 -1.591 -7.818 -3.888 1.00 0.00 C ATOM 226 ND1 HIS A 15 -0.762 -7.872 -2.787 1.00 0.00 N ATOM 227 CD2 HIS A 15 -2.832 -8.118 -3.437 1.00 0.00 C ATOM 228 CE1 HIS A 15 -1.471 -8.191 -1.720 1.00 0.00 C ATOM 229 NE2 HIS A 15 -2.731 -8.346 -2.087 1.00 0.00 N ATOM 0 H HIS A 15 0.172 -5.390 -6.901 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.485 -5.927 -5.799 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -1.559 -8.166 -5.979 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.026 -7.645 -5.307 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.734 -8.169 -4.029 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -1.086 -8.306 -0.717 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.503 -8.595 -1.468 1.00 0.00 H new ATOM 237 N THR A 16 -1.873 -4.398 -3.965 1.00 0.00 N ATOM 238 CA THR A 16 -1.547 -3.439 -2.917 1.00 0.00 C ATOM 239 C THR A 16 -1.305 -4.140 -1.585 1.00 0.00 C ATOM 240 O THR A 16 -2.194 -4.804 -1.052 1.00 0.00 O ATOM 241 CB THR A 16 -2.668 -2.397 -2.740 1.00 0.00 C ATOM 242 OG1 THR A 16 -3.570 -2.456 -3.850 1.00 0.00 O ATOM 243 CG2 THR A 16 -2.090 -0.995 -2.624 1.00 0.00 C ATOM 0 H THR A 16 -2.871 -4.497 -4.150 1.00 0.00 H new ATOM 0 HA THR A 16 -0.634 -2.931 -3.227 1.00 0.00 H new ATOM 0 HB THR A 16 -3.207 -2.628 -1.821 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.281 -1.792 -3.730 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.900 -0.277 -2.500 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.426 -0.946 -1.761 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.529 -0.757 -3.528 1.00 0.00 H new ATOM 251 N CYS A 17 -0.098 -3.988 -1.052 1.00 0.00 N ATOM 252 CA CYS A 17 0.261 -4.607 0.218 1.00 0.00 C ATOM 253 C CYS A 17 -0.361 -3.849 1.387 1.00 0.00 C ATOM 254 O CYS A 17 0.264 -2.962 1.969 1.00 0.00 O ATOM 255 CB CYS A 17 1.782 -4.650 0.377 1.00 0.00 C ATOM 256 SG CYS A 17 2.536 -6.237 -0.106 1.00 0.00 S ATOM 0 H CYS A 17 0.649 -3.441 -1.480 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.127 -5.626 0.219 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.222 -3.853 -0.223 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.034 -4.442 1.417 1.00 0.00 H new ATOM 261 N ARG A 18 -1.596 -4.205 1.725 1.00 0.00 N ATOM 262 CA ARG A 18 -2.304 -3.558 2.824 1.00 0.00 C ATOM 263 C ARG A 18 -2.367 -4.473 4.043 1.00 0.00 C ATOM 264 O ARG A 18 -3.283 -5.284 4.177 1.00 0.00 O ATOM 265 CB ARG A 18 -3.719 -3.172 2.389 1.00 0.00 C ATOM 266 CG ARG A 18 -4.455 -4.280 1.654 1.00 0.00 C ATOM 267 CD ARG A 18 -5.832 -3.826 1.195 1.00 0.00 C ATOM 268 NE ARG A 18 -5.754 -2.880 0.085 1.00 0.00 N ATOM 269 CZ ARG A 18 -6.795 -2.186 -0.363 1.00 0.00 C ATOM 270 NH1 ARG A 18 -7.986 -2.332 0.201 1.00 0.00 N ATOM 271 NH2 ARG A 18 -6.645 -1.344 -1.377 1.00 0.00 N ATOM 0 H ARG A 18 -2.127 -4.938 1.254 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.756 -2.656 3.096 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.295 -2.887 3.269 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.665 -2.294 1.745 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.869 -4.597 0.791 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.556 -5.147 2.307 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.417 -4.694 0.891 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.358 -3.363 2.030 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.852 -2.745 -0.371 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.105 -2.978 0.981 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.783 -1.798 -0.145 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.730 -1.229 -1.813 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.444 -0.812 -1.720 1.00 0.00 H new ATOM 285 N ASN A 19 -1.387 -4.337 4.930 1.00 0.00 N ATOM 286 CA ASN A 19 -1.330 -5.152 6.138 1.00 0.00 C ATOM 287 C ASN A 19 -0.219 -4.672 7.067 1.00 0.00 C ATOM 288 O ASN A 19 0.417 -3.649 6.812 1.00 0.00 O ATOM 289 CB ASN A 19 -1.108 -6.622 5.777 1.00 0.00 C ATOM 290 CG ASN A 19 -2.404 -7.409 5.734 1.00 0.00 C ATOM 291 OD1 ASN A 19 -3.093 -7.547 6.745 1.00 0.00 O ATOM 292 ND2 ASN A 19 -2.742 -7.930 4.560 1.00 0.00 N ATOM 0 H ASN A 19 -0.621 -3.670 4.835 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.283 -5.052 6.658 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.616 -6.685 4.807 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.435 -7.075 6.505 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.603 -8.470 4.470 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -2.141 -7.790 3.748 1.00 0.00 H new ATOM 299 N GLU A 20 0.009 -5.417 8.144 1.00 0.00 N ATOM 300 CA GLU A 20 1.043 -5.067 9.110 1.00 0.00 C ATOM 301 C GLU A 20 2.379 -4.823 8.413 1.00 0.00 C ATOM 302 O GLU A 20 3.211 -4.057 8.895 1.00 0.00 O ATOM 303 CB GLU A 20 1.195 -6.176 10.153 1.00 0.00 C ATOM 304 CG GLU A 20 1.223 -7.573 9.556 1.00 0.00 C ATOM 305 CD GLU A 20 2.080 -8.533 10.359 1.00 0.00 C ATOM 306 OE1 GLU A 20 2.208 -8.332 11.584 1.00 0.00 O ATOM 307 OE2 GLU A 20 2.622 -9.486 9.760 1.00 0.00 O ATOM 0 H GLU A 20 -0.509 -6.267 8.369 1.00 0.00 H new ATOM 0 HA GLU A 20 0.740 -4.147 9.610 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.115 -6.011 10.715 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.371 -6.110 10.864 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.206 -7.960 9.499 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.602 -7.520 8.535 1.00 0.00 H new ATOM 314 N GLU A 21 2.575 -5.483 7.275 1.00 0.00 N ATOM 315 CA GLU A 21 3.809 -5.339 6.513 1.00 0.00 C ATOM 316 C GLU A 21 3.799 -4.048 5.700 1.00 0.00 C ATOM 317 O GLU A 21 2.936 -3.190 5.886 1.00 0.00 O ATOM 318 CB GLU A 21 4.004 -6.539 5.583 1.00 0.00 C ATOM 319 CG GLU A 21 3.866 -7.880 6.283 1.00 0.00 C ATOM 320 CD GLU A 21 2.672 -8.675 5.792 1.00 0.00 C ATOM 321 OE1 GLU A 21 1.548 -8.130 5.814 1.00 0.00 O ATOM 322 OE2 GLU A 21 2.860 -9.841 5.387 1.00 0.00 O ATOM 0 H GLU A 21 1.895 -6.122 6.862 1.00 0.00 H new ATOM 0 HA GLU A 21 4.639 -5.297 7.219 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.275 -6.484 4.775 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.992 -6.477 5.126 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.774 -8.462 6.127 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.772 -7.717 7.357 1.00 0.00 H new ATOM 329 N LYS A 22 4.766 -3.917 4.797 1.00 0.00 N ATOM 330 CA LYS A 22 4.870 -2.732 3.954 1.00 0.00 C ATOM 331 C LYS A 22 5.483 -3.079 2.601 1.00 0.00 C ATOM 332 O LYS A 22 4.899 -2.800 1.554 1.00 0.00 O ATOM 333 CB LYS A 22 5.712 -1.659 4.648 1.00 0.00 C ATOM 334 CG LYS A 22 4.916 -0.779 5.595 1.00 0.00 C ATOM 335 CD LYS A 22 5.707 0.449 6.014 1.00 0.00 C ATOM 336 CE LYS A 22 5.565 1.575 5.002 1.00 0.00 C ATOM 337 NZ LYS A 22 6.691 2.546 5.092 1.00 0.00 N ATOM 0 H LYS A 22 5.489 -4.617 4.631 1.00 0.00 H new ATOM 0 HA LYS A 22 3.865 -2.345 3.789 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.515 -2.143 5.204 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.182 -1.031 3.891 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.989 -0.469 5.112 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.638 -1.353 6.479 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.362 0.790 6.990 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.759 0.186 6.122 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.525 1.157 3.996 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.622 2.096 5.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.558 3.298 4.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.714 2.964 6.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.589 2.054 4.909 1.00 0.00 H new ATOM 351 N ILE A 23 6.663 -3.690 2.631 1.00 0.00 N ATOM 352 CA ILE A 23 7.353 -4.078 1.407 1.00 0.00 C ATOM 353 C ILE A 23 6.806 -5.391 0.859 1.00 0.00 C ATOM 354 O ILE A 23 6.000 -6.059 1.508 1.00 0.00 O ATOM 355 CB ILE A 23 8.869 -4.223 1.638 1.00 0.00 C ATOM 356 CG1 ILE A 23 9.163 -5.474 2.467 1.00 0.00 C ATOM 357 CG2 ILE A 23 9.421 -2.983 2.325 1.00 0.00 C ATOM 358 CD1 ILE A 23 9.874 -6.561 1.691 1.00 0.00 C ATOM 0 H ILE A 23 7.161 -3.927 3.489 1.00 0.00 H new ATOM 0 HA ILE A 23 7.178 -3.284 0.681 1.00 0.00 H new ATOM 0 HB ILE A 23 9.361 -4.328 0.671 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.772 -5.195 3.327 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.225 -5.871 2.856 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.493 -3.101 2.481 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.239 -2.109 1.699 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.927 -2.850 3.287 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.050 -7.417 2.342 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.257 -6.868 0.846 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.828 -6.182 1.325 1.00 0.00 H new ATOM 370 N CYS A 24 7.249 -5.757 -0.339 1.00 0.00 N ATOM 371 CA CYS A 24 6.806 -6.991 -0.975 1.00 0.00 C ATOM 372 C CYS A 24 7.991 -7.769 -1.538 1.00 0.00 C ATOM 373 O CYS A 24 8.741 -7.262 -2.372 1.00 0.00 O ATOM 374 CB CYS A 24 5.806 -6.684 -2.092 1.00 0.00 C ATOM 375 SG CYS A 24 4.506 -5.498 -1.620 1.00 0.00 S ATOM 0 H CYS A 24 7.915 -5.215 -0.889 1.00 0.00 H new ATOM 0 HA CYS A 24 6.318 -7.605 -0.218 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.348 -6.290 -2.952 1.00 0.00 H new ATOM 0 HB3 CYS A 24 5.336 -7.615 -2.410 1.00 0.00 H new ATOM 380 N VAL A 25 8.154 -9.005 -1.077 1.00 0.00 N ATOM 381 CA VAL A 25 9.247 -9.855 -1.535 1.00 0.00 C ATOM 382 C VAL A 25 8.733 -11.219 -1.981 1.00 0.00 C ATOM 383 O VAL A 25 7.757 -11.736 -1.436 1.00 0.00 O ATOM 384 CB VAL A 25 10.305 -10.052 -0.432 1.00 0.00 C ATOM 385 CG1 VAL A 25 9.666 -10.623 0.824 1.00 0.00 C ATOM 386 CG2 VAL A 25 11.427 -10.952 -0.926 1.00 0.00 C ATOM 0 H VAL A 25 7.543 -9.440 -0.386 1.00 0.00 H new ATOM 0 HA VAL A 25 9.707 -9.349 -2.383 1.00 0.00 H new ATOM 0 HB VAL A 25 10.732 -9.080 -0.184 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.428 -10.755 1.592 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.901 -9.937 1.187 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.211 -11.586 0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.165 -11.081 -0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.019 -11.924 -1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.902 -10.497 -1.795 1.00 0.00 H new ATOM 396 N LYS A 26 9.396 -11.799 -2.975 1.00 0.00 N ATOM 397 CA LYS A 26 9.009 -13.105 -3.495 1.00 0.00 C ATOM 398 C LYS A 26 10.231 -13.995 -3.695 1.00 0.00 C ATOM 399 O LYS A 26 11.316 -13.513 -4.022 1.00 0.00 O ATOM 400 CB LYS A 26 8.258 -12.947 -4.819 1.00 0.00 C ATOM 401 CG LYS A 26 8.298 -14.189 -5.692 1.00 0.00 C ATOM 402 CD LYS A 26 7.324 -14.085 -6.854 1.00 0.00 C ATOM 403 CE LYS A 26 8.043 -14.167 -8.192 1.00 0.00 C ATOM 404 NZ LYS A 26 8.648 -12.862 -8.578 1.00 0.00 N ATOM 0 H LYS A 26 10.205 -11.385 -3.437 1.00 0.00 H new ATOM 0 HA LYS A 26 8.352 -13.579 -2.765 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.219 -12.693 -4.610 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.685 -12.110 -5.372 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.308 -14.334 -6.075 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.056 -15.065 -5.091 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.587 -14.886 -6.786 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.778 -13.144 -6.790 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.822 -14.927 -8.139 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.340 -14.484 -8.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.403 -13.022 -9.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.917 -12.250 -8.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.047 -12.402 -7.735 1.00 0.00 H new ATOM 418 N ARG A 27 10.048 -15.297 -3.497 1.00 0.00 N ATOM 419 CA ARG A 27 11.136 -16.254 -3.656 1.00 0.00 C ATOM 420 C ARG A 27 10.666 -17.491 -4.416 1.00 0.00 C ATOM 421 O ARG A 27 9.713 -18.157 -4.010 1.00 0.00 O ATOM 422 CB ARG A 27 11.688 -16.662 -2.289 1.00 0.00 C ATOM 423 CG ARG A 27 11.754 -15.517 -1.292 1.00 0.00 C ATOM 424 CD ARG A 27 12.799 -15.773 -0.218 1.00 0.00 C ATOM 425 NE ARG A 27 12.366 -16.791 0.735 1.00 0.00 N ATOM 426 CZ ARG A 27 12.887 -16.931 1.949 1.00 0.00 C ATOM 427 NH1 ARG A 27 13.855 -16.122 2.356 1.00 0.00 N ATOM 428 NH2 ARG A 27 12.440 -17.882 2.759 1.00 0.00 N ATOM 0 H ARG A 27 9.157 -15.713 -3.226 1.00 0.00 H new ATOM 0 HA ARG A 27 11.927 -15.774 -4.232 1.00 0.00 H new ATOM 0 HB2 ARG A 27 11.065 -17.456 -1.877 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.687 -17.077 -2.419 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.988 -14.590 -1.816 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.778 -15.382 -0.826 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.731 -16.088 -0.687 1.00 0.00 H new ATOM 0 HD3 ARG A 27 13.008 -14.844 0.313 1.00 0.00 H new ATOM 0 HE ARG A 27 11.623 -17.430 0.453 1.00 0.00 H new ATOM 0 HH11 ARG A 27 14.202 -15.390 1.737 1.00 0.00 H new ATOM 0 HH12 ARG A 27 14.253 -16.232 3.289 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.695 -18.507 2.450 1.00 0.00 H new ATOM 0 HH22 ARG A 27 12.841 -17.988 3.691 1.00 0.00 H new ATOM 442 N PHE A 28 11.339 -17.791 -5.522 1.00 0.00 N ATOM 443 CA PHE A 28 10.989 -18.947 -6.340 1.00 0.00 C ATOM 444 C PHE A 28 12.203 -19.845 -6.560 1.00 0.00 C ATOM 445 O PHE A 28 13.344 -19.383 -6.529 1.00 0.00 O ATOM 446 CB PHE A 28 10.426 -18.492 -7.688 1.00 0.00 C ATOM 447 CG PHE A 28 11.439 -17.805 -8.560 1.00 0.00 C ATOM 448 CD1 PHE A 28 11.649 -16.440 -8.456 1.00 0.00 C ATOM 449 CD2 PHE A 28 12.180 -18.526 -9.482 1.00 0.00 C ATOM 450 CE1 PHE A 28 12.579 -15.805 -9.258 1.00 0.00 C ATOM 451 CE2 PHE A 28 13.112 -17.897 -10.286 1.00 0.00 C ATOM 452 CZ PHE A 28 13.313 -16.535 -10.173 1.00 0.00 C ATOM 0 H PHE A 28 12.130 -17.250 -5.872 1.00 0.00 H new ATOM 0 HA PHE A 28 10.227 -19.519 -5.810 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.030 -19.358 -8.218 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.590 -17.815 -7.514 1.00 0.00 H new ATOM 0 HD1 PHE A 28 11.080 -15.865 -7.740 1.00 0.00 H new ATOM 0 HD2 PHE A 28 12.028 -19.591 -9.574 1.00 0.00 H new ATOM 0 HE1 PHE A 28 12.732 -14.740 -9.169 1.00 0.00 H new ATOM 0 HE2 PHE A 28 13.683 -18.470 -11.002 1.00 0.00 H new ATOM 0 HZ PHE A 28 14.042 -16.042 -10.799 1.00 0.00 H new ATOM 462 N TYR A 29 11.948 -21.129 -6.781 1.00 0.00 N ATOM 463 CA TYR A 29 13.019 -22.094 -7.004 1.00 0.00 C ATOM 464 C TYR A 29 12.846 -22.801 -8.344 1.00 0.00 C ATOM 465 O TYR A 29 11.745 -23.221 -8.700 1.00 0.00 O ATOM 466 CB TYR A 29 13.051 -23.123 -5.872 1.00 0.00 C ATOM 467 CG TYR A 29 14.438 -23.633 -5.556 1.00 0.00 C ATOM 468 CD1 TYR A 29 15.004 -24.668 -6.289 1.00 0.00 C ATOM 469 CD2 TYR A 29 15.185 -23.078 -4.523 1.00 0.00 C ATOM 470 CE1 TYR A 29 16.271 -25.137 -6.003 1.00 0.00 C ATOM 471 CE2 TYR A 29 16.453 -23.540 -4.230 1.00 0.00 C ATOM 472 CZ TYR A 29 16.992 -24.570 -4.973 1.00 0.00 C ATOM 473 OH TYR A 29 18.255 -25.034 -4.685 1.00 0.00 O ATOM 0 H TYR A 29 11.009 -21.527 -6.811 1.00 0.00 H new ATOM 0 HA TYR A 29 13.964 -21.551 -7.020 1.00 0.00 H new ATOM 0 HB2 TYR A 29 12.624 -22.676 -4.974 1.00 0.00 H new ATOM 0 HB3 TYR A 29 12.415 -23.967 -6.141 1.00 0.00 H new ATOM 0 HD1 TYR A 29 14.443 -25.114 -7.097 1.00 0.00 H new ATOM 0 HD2 TYR A 29 14.766 -22.271 -3.939 1.00 0.00 H new ATOM 0 HE1 TYR A 29 16.695 -25.943 -6.583 1.00 0.00 H new ATOM 0 HE2 TYR A 29 17.019 -23.098 -3.424 1.00 0.00 H new ATOM 0 HH TYR A 29 18.580 -25.582 -5.430 1.00 0.00 H new ATOM 483 N ASP A 30 13.942 -22.929 -9.084 1.00 0.00 N ATOM 484 CA ASP A 30 13.914 -23.586 -10.385 1.00 0.00 C ATOM 485 C ASP A 30 14.992 -24.661 -10.475 1.00 0.00 C ATOM 486 O ASP A 30 16.178 -24.383 -10.295 1.00 0.00 O ATOM 487 CB ASP A 30 14.105 -22.560 -11.503 1.00 0.00 C ATOM 488 CG ASP A 30 14.276 -23.209 -12.862 1.00 0.00 C ATOM 489 OD1 ASP A 30 13.733 -24.315 -13.063 1.00 0.00 O ATOM 490 OD2 ASP A 30 14.954 -22.612 -13.725 1.00 0.00 O ATOM 0 H ASP A 30 14.861 -22.586 -8.805 1.00 0.00 H new ATOM 0 HA ASP A 30 12.941 -24.063 -10.502 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.245 -21.891 -11.529 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.979 -21.947 -11.284 1.00 0.00 H new ATOM 495 N LYS A 31 14.573 -25.891 -10.753 1.00 0.00 N ATOM 496 CA LYS A 31 15.502 -27.009 -10.866 1.00 0.00 C ATOM 497 C LYS A 31 14.761 -28.301 -11.193 1.00 0.00 C ATOM 498 O LYS A 31 13.535 -28.361 -11.115 1.00 0.00 O ATOM 499 CB LYS A 31 16.292 -27.177 -9.566 1.00 0.00 C ATOM 500 CG LYS A 31 17.771 -27.447 -9.783 1.00 0.00 C ATOM 501 CD LYS A 31 18.601 -26.993 -8.595 1.00 0.00 C ATOM 502 CE LYS A 31 19.969 -27.659 -8.583 1.00 0.00 C ATOM 503 NZ LYS A 31 19.875 -29.113 -8.277 1.00 0.00 N ATOM 0 H LYS A 31 13.595 -26.139 -10.904 1.00 0.00 H new ATOM 0 HA LYS A 31 16.195 -26.792 -11.679 1.00 0.00 H new ATOM 0 HB2 LYS A 31 16.180 -26.275 -8.964 1.00 0.00 H new ATOM 0 HB3 LYS A 31 15.862 -27.998 -8.993 1.00 0.00 H new ATOM 0 HG2 LYS A 31 17.926 -28.513 -9.950 1.00 0.00 H new ATOM 0 HG3 LYS A 31 18.108 -26.931 -10.682 1.00 0.00 H new ATOM 0 HD2 LYS A 31 18.723 -25.910 -8.627 1.00 0.00 H new ATOM 0 HD3 LYS A 31 18.073 -27.227 -7.670 1.00 0.00 H new ATOM 0 HE2 LYS A 31 20.448 -27.522 -9.552 1.00 0.00 H new ATOM 0 HE3 LYS A 31 20.603 -27.172 -7.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 20.807 -29.466 -7.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 19.187 -29.263 -7.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 19.566 -29.627 -9.126 1.00 0.00 H new ATOM 574 N TRP A 36 9.496 -26.116 -10.467 1.00 0.00 N ATOM 575 CA TRP A 36 9.395 -24.662 -10.521 1.00 0.00 C ATOM 576 C TRP A 36 8.298 -24.157 -9.590 1.00 0.00 C ATOM 577 O TRP A 36 7.111 -24.371 -9.841 1.00 0.00 O ATOM 578 CB TRP A 36 9.116 -24.203 -11.954 1.00 0.00 C ATOM 579 CG TRP A 36 9.113 -22.712 -12.110 1.00 0.00 C ATOM 580 CD1 TRP A 36 8.131 -21.849 -11.716 1.00 0.00 C ATOM 581 CD2 TRP A 36 10.140 -21.911 -12.704 1.00 0.00 C ATOM 582 NE1 TRP A 36 8.485 -20.559 -12.030 1.00 0.00 N ATOM 583 CE2 TRP A 36 9.713 -20.570 -12.636 1.00 0.00 C ATOM 584 CE3 TRP A 36 11.378 -22.195 -13.285 1.00 0.00 C ATOM 585 CZ2 TRP A 36 10.482 -19.519 -13.128 1.00 0.00 C ATOM 586 CZ3 TRP A 36 12.140 -21.150 -13.774 1.00 0.00 C ATOM 587 CH2 TRP A 36 11.690 -19.826 -13.692 1.00 0.00 C ATOM 0 HA TRP A 36 10.346 -24.244 -10.191 1.00 0.00 H new ATOM 0 HB2 TRP A 36 9.869 -24.629 -12.617 1.00 0.00 H new ATOM 0 HB3 TRP A 36 8.151 -24.596 -12.273 1.00 0.00 H new ATOM 0 HD1 TRP A 36 7.211 -22.138 -11.229 1.00 0.00 H new ATOM 0 HE1 TRP A 36 7.924 -19.728 -11.842 1.00 0.00 H new ATOM 0 HE3 TRP A 36 11.734 -23.213 -13.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 10.137 -18.497 -13.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 13.098 -21.358 -14.227 1.00 0.00 H new ATOM 0 HH2 TRP A 36 12.309 -19.032 -14.082 1.00 0.00 H new ATOM 598 N ARG A 37 8.701 -23.486 -8.516 1.00 0.00 N ATOM 599 CA ARG A 37 7.751 -22.952 -7.548 1.00 0.00 C ATOM 600 C ARG A 37 8.096 -21.510 -7.187 1.00 0.00 C ATOM 601 O ARG A 37 9.268 -21.150 -7.078 1.00 0.00 O ATOM 602 CB ARG A 37 7.737 -23.816 -6.286 1.00 0.00 C ATOM 603 CG ARG A 37 7.079 -25.172 -6.483 1.00 0.00 C ATOM 604 CD ARG A 37 6.449 -25.678 -5.194 1.00 0.00 C ATOM 605 NE ARG A 37 6.954 -26.996 -4.820 1.00 0.00 N ATOM 606 CZ ARG A 37 8.179 -27.208 -4.353 1.00 0.00 C ATOM 607 NH1 ARG A 37 9.021 -26.194 -4.204 1.00 0.00 N ATOM 608 NH2 ARG A 37 8.565 -28.437 -4.033 1.00 0.00 N ATOM 0 H ARG A 37 9.679 -23.299 -8.294 1.00 0.00 H new ATOM 0 HA ARG A 37 6.760 -22.968 -8.002 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.762 -23.965 -5.947 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.214 -23.279 -5.494 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.316 -25.098 -7.258 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.820 -25.890 -6.833 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.651 -24.971 -4.390 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.367 -25.725 -5.313 1.00 0.00 H new ATOM 0 HE ARG A 37 6.332 -27.798 -4.923 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.728 -25.248 -4.448 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.961 -26.360 -3.845 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.921 -29.220 -4.146 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.506 -28.599 -3.674 1.00 0.00 H new ATOM 622 N ALA A 38 7.067 -20.689 -7.003 1.00 0.00 N ATOM 623 CA ALA A 38 7.261 -19.288 -6.652 1.00 0.00 C ATOM 624 C ALA A 38 6.275 -18.850 -5.575 1.00 0.00 C ATOM 625 O ALA A 38 5.085 -19.155 -5.649 1.00 0.00 O ATOM 626 CB ALA A 38 7.120 -18.411 -7.888 1.00 0.00 C ATOM 0 H ALA A 38 6.091 -20.970 -7.091 1.00 0.00 H new ATOM 0 HA ALA A 38 8.269 -19.175 -6.252 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.267 -17.367 -7.612 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.868 -18.700 -8.626 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.124 -18.537 -8.312 1.00 0.00 H new ATOM 632 N GLN A 39 6.779 -18.134 -4.574 1.00 0.00 N ATOM 633 CA GLN A 39 5.941 -17.656 -3.481 1.00 0.00 C ATOM 634 C GLN A 39 6.226 -16.188 -3.178 1.00 0.00 C ATOM 635 O GLN A 39 7.380 -15.791 -3.014 1.00 0.00 O ATOM 636 CB GLN A 39 6.171 -18.501 -2.227 1.00 0.00 C ATOM 637 CG GLN A 39 7.639 -18.750 -1.922 1.00 0.00 C ATOM 638 CD GLN A 39 7.855 -19.367 -0.554 1.00 0.00 C ATOM 639 OE1 GLN A 39 8.681 -18.897 0.228 1.00 0.00 O ATOM 640 NE2 GLN A 39 7.110 -20.427 -0.258 1.00 0.00 N ATOM 0 H GLN A 39 7.762 -17.873 -4.498 1.00 0.00 H new ATOM 0 HA GLN A 39 4.899 -17.749 -3.788 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.711 -18.003 -1.374 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.666 -19.459 -2.347 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.058 -19.408 -2.683 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.183 -17.807 -1.981 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.437 -20.783 -0.937 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.211 -20.884 0.648 1.00 0.00 H new ATOM 649 N ARG A 40 5.168 -15.387 -3.107 1.00 0.00 N ATOM 650 CA ARG A 40 5.305 -13.963 -2.826 1.00 0.00 C ATOM 651 C ARG A 40 4.598 -13.596 -1.524 1.00 0.00 C ATOM 652 O ARG A 40 3.697 -14.302 -1.074 1.00 0.00 O ATOM 653 CB ARG A 40 4.734 -13.137 -3.980 1.00 0.00 C ATOM 654 CG ARG A 40 5.004 -11.646 -3.853 1.00 0.00 C ATOM 655 CD ARG A 40 5.216 -11.001 -5.213 1.00 0.00 C ATOM 656 NE ARG A 40 6.587 -10.528 -5.386 1.00 0.00 N ATOM 657 CZ ARG A 40 7.159 -10.351 -6.572 1.00 0.00 C ATOM 658 NH1 ARG A 40 6.482 -10.606 -7.683 1.00 0.00 N ATOM 659 NH2 ARG A 40 8.411 -9.918 -6.648 1.00 0.00 N ATOM 0 H ARG A 40 4.206 -15.700 -3.240 1.00 0.00 H new ATOM 0 HA ARG A 40 6.366 -13.739 -2.719 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.158 -13.496 -4.918 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.658 -13.300 -4.034 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.166 -11.165 -3.348 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.885 -11.486 -3.232 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.979 -11.721 -5.997 1.00 0.00 H new ATOM 0 HD3 ARG A 40 4.527 -10.165 -5.329 1.00 0.00 H new ATOM 0 HE ARG A 40 7.135 -10.322 -4.551 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.519 -10.939 -7.629 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.924 -10.469 -8.592 1.00 0.00 H new ATOM 0 HH21 ARG A 40 8.935 -9.721 -5.795 1.00 0.00 H new ATOM 0 HH22 ARG A 40 8.849 -9.782 -7.559 1.00 0.00 H new ATOM 673 N GLY A 41 5.015 -12.485 -0.924 1.00 0.00 N ATOM 674 CA GLY A 41 4.411 -12.043 0.320 1.00 0.00 C ATOM 675 C GLY A 41 4.982 -10.725 0.805 1.00 0.00 C ATOM 676 O GLY A 41 6.129 -10.389 0.507 1.00 0.00 O ATOM 0 H GLY A 41 5.760 -11.884 -1.277 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.335 -11.940 0.181 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.563 -12.805 1.085 1.00 0.00 H new ATOM 680 N CYS A 42 4.180 -9.975 1.554 1.00 0.00 N ATOM 681 CA CYS A 42 4.610 -8.685 2.080 1.00 0.00 C ATOM 682 C CYS A 42 5.530 -8.868 3.284 1.00 0.00 C ATOM 683 O CYS A 42 5.539 -9.923 3.917 1.00 0.00 O ATOM 684 CB CYS A 42 3.397 -7.842 2.475 1.00 0.00 C ATOM 685 SG CYS A 42 2.142 -7.684 1.164 1.00 0.00 S ATOM 0 H CYS A 42 3.229 -10.239 1.810 1.00 0.00 H new ATOM 0 HA CYS A 42 5.164 -8.168 1.297 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.932 -8.284 3.356 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.737 -6.846 2.759 1.00 0.00 H new ATOM 690 N ALA A 43 6.303 -7.832 3.594 1.00 0.00 N ATOM 691 CA ALA A 43 7.225 -7.877 4.722 1.00 0.00 C ATOM 692 C ALA A 43 7.559 -6.473 5.214 1.00 0.00 C ATOM 693 O ALA A 43 7.008 -5.486 4.727 1.00 0.00 O ATOM 694 CB ALA A 43 8.495 -8.620 4.336 1.00 0.00 C ATOM 0 H ALA A 43 6.309 -6.951 3.079 1.00 0.00 H new ATOM 0 HA ALA A 43 6.738 -8.412 5.537 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.175 -8.646 5.188 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.245 -9.639 4.040 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.977 -8.108 3.503 1.00 0.00 H new ATOM 700 N VAL A 44 8.465 -6.390 6.183 1.00 0.00 N ATOM 701 CA VAL A 44 8.874 -5.107 6.741 1.00 0.00 C ATOM 702 C VAL A 44 10.377 -4.900 6.600 1.00 0.00 C ATOM 703 O VAL A 44 10.915 -3.873 7.016 1.00 0.00 O ATOM 704 CB VAL A 44 8.487 -4.992 8.227 1.00 0.00 C ATOM 705 CG1 VAL A 44 8.590 -3.549 8.696 1.00 0.00 C ATOM 706 CG2 VAL A 44 7.085 -5.537 8.456 1.00 0.00 C ATOM 0 H VAL A 44 8.930 -7.197 6.598 1.00 0.00 H new ATOM 0 HA VAL A 44 8.350 -4.335 6.177 1.00 0.00 H new ATOM 0 HB VAL A 44 9.185 -5.590 8.813 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.313 -3.488 9.748 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.614 -3.198 8.570 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.917 -2.926 8.107 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.828 -5.448 9.511 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.372 -4.968 7.859 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.050 -6.586 8.161 1.00 0.00 H new ATOM 716 N SER A 45 11.052 -5.882 6.011 1.00 0.00 N ATOM 717 CA SER A 45 12.496 -5.809 5.819 1.00 0.00 C ATOM 718 C SER A 45 12.907 -6.509 4.527 1.00 0.00 C ATOM 719 O SER A 45 12.065 -7.019 3.788 1.00 0.00 O ATOM 720 CB SER A 45 13.222 -6.440 7.008 1.00 0.00 C ATOM 721 OG SER A 45 12.969 -5.719 8.201 1.00 0.00 O ATOM 0 H SER A 45 10.622 -6.737 5.659 1.00 0.00 H new ATOM 0 HA SER A 45 12.777 -4.758 5.748 1.00 0.00 H new ATOM 0 HB2 SER A 45 12.898 -7.474 7.129 1.00 0.00 H new ATOM 0 HB3 SER A 45 14.294 -6.462 6.813 1.00 0.00 H new ATOM 0 HG SER A 45 13.443 -6.143 8.946 1.00 0.00 H new ATOM 727 N CYS A 46 14.209 -6.530 4.262 1.00 0.00 N ATOM 728 CA CYS A 46 14.735 -7.167 3.060 1.00 0.00 C ATOM 729 C CYS A 46 15.763 -8.237 3.417 1.00 0.00 C ATOM 730 O CYS A 46 16.972 -8.013 3.369 1.00 0.00 O ATOM 731 CB CYS A 46 15.370 -6.121 2.141 1.00 0.00 C ATOM 732 SG CYS A 46 14.333 -5.656 0.717 1.00 0.00 S ATOM 0 H CYS A 46 14.920 -6.113 4.864 1.00 0.00 H new ATOM 0 HA CYS A 46 13.905 -7.645 2.539 1.00 0.00 H new ATOM 0 HB2 CYS A 46 15.591 -5.227 2.724 1.00 0.00 H new ATOM 0 HB3 CYS A 46 16.322 -6.505 1.774 1.00 0.00 H new ATOM 737 N PRO A 47 15.271 -9.430 3.783 1.00 0.00 N ATOM 738 CA PRO A 47 16.129 -10.559 4.155 1.00 0.00 C ATOM 739 C PRO A 47 16.887 -11.129 2.960 1.00 0.00 C ATOM 740 O PRO A 47 16.921 -10.525 1.888 1.00 0.00 O ATOM 741 CB PRO A 47 15.139 -11.592 4.701 1.00 0.00 C ATOM 742 CG PRO A 47 13.845 -11.261 4.042 1.00 0.00 C ATOM 743 CD PRO A 47 13.840 -9.768 3.863 1.00 0.00 C ATOM 0 HA PRO A 47 16.900 -10.267 4.869 1.00 0.00 H new ATOM 0 HB2 PRO A 47 15.456 -12.608 4.464 1.00 0.00 H new ATOM 0 HB3 PRO A 47 15.058 -11.528 5.786 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.755 -11.769 3.082 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.002 -11.583 4.653 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.306 -9.473 2.959 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.354 -9.265 4.699 1.00 0.00 H new ATOM 751 N LYS A 48 17.493 -12.295 3.152 1.00 0.00 N ATOM 752 CA LYS A 48 18.250 -12.948 2.090 1.00 0.00 C ATOM 753 C LYS A 48 17.801 -14.395 1.913 1.00 0.00 C ATOM 754 O LYS A 48 16.872 -14.852 2.578 1.00 0.00 O ATOM 755 CB LYS A 48 19.748 -12.903 2.401 1.00 0.00 C ATOM 756 CG LYS A 48 20.066 -13.037 3.880 1.00 0.00 C ATOM 757 CD LYS A 48 19.587 -14.368 4.435 1.00 0.00 C ATOM 758 CE LYS A 48 20.258 -15.539 3.733 1.00 0.00 C ATOM 759 NZ LYS A 48 20.678 -16.596 4.694 1.00 0.00 N ATOM 0 H LYS A 48 17.475 -12.808 4.033 1.00 0.00 H new ATOM 0 HA LYS A 48 18.062 -12.411 1.161 1.00 0.00 H new ATOM 0 HB2 LYS A 48 20.248 -13.704 1.856 1.00 0.00 H new ATOM 0 HB3 LYS A 48 20.159 -11.963 2.033 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.141 -12.944 4.032 1.00 0.00 H new ATOM 0 HG3 LYS A 48 19.595 -12.222 4.430 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.797 -14.414 5.504 1.00 0.00 H new ATOM 0 HD3 LYS A 48 18.506 -14.444 4.319 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.572 -15.965 3.002 1.00 0.00 H new ATOM 0 HE3 LYS A 48 21.129 -15.182 3.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 21.131 -17.376 4.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 21.353 -16.196 5.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.844 -16.955 5.201 1.00 0.00 H new ATOM 773 N ALA A 49 18.468 -15.111 1.013 1.00 0.00 N ATOM 774 CA ALA A 49 18.139 -16.507 0.752 1.00 0.00 C ATOM 775 C ALA A 49 19.349 -17.264 0.215 1.00 0.00 C ATOM 776 O ALA A 49 20.438 -16.705 0.086 1.00 0.00 O ATOM 777 CB ALA A 49 16.978 -16.601 -0.227 1.00 0.00 C ATOM 0 H ALA A 49 19.239 -14.747 0.453 1.00 0.00 H new ATOM 0 HA ALA A 49 17.843 -16.968 1.694 1.00 0.00 H new ATOM 0 HB1 ALA A 49 16.743 -17.649 -0.413 1.00 0.00 H new ATOM 0 HB2 ALA A 49 16.105 -16.103 0.195 1.00 0.00 H new ATOM 0 HB3 ALA A 49 17.253 -16.119 -1.165 1.00 0.00 H new ATOM 783 N LYS A 50 19.151 -18.541 -0.097 1.00 0.00 N ATOM 784 CA LYS A 50 20.225 -19.376 -0.620 1.00 0.00 C ATOM 785 C LYS A 50 20.642 -18.917 -2.014 1.00 0.00 C ATOM 786 O LYS A 50 19.870 -18.296 -2.745 1.00 0.00 O ATOM 787 CB LYS A 50 19.784 -20.841 -0.665 1.00 0.00 C ATOM 788 CG LYS A 50 19.621 -21.469 0.708 1.00 0.00 C ATOM 789 CD LYS A 50 20.957 -21.908 1.283 1.00 0.00 C ATOM 790 CE LYS A 50 20.796 -23.083 2.235 1.00 0.00 C ATOM 791 NZ LYS A 50 22.101 -23.523 2.801 1.00 0.00 N ATOM 0 H LYS A 50 18.256 -19.020 0.004 1.00 0.00 H new ATOM 0 HA LYS A 50 21.082 -19.281 0.046 1.00 0.00 H new ATOM 0 HB2 LYS A 50 18.838 -20.911 -1.202 1.00 0.00 H new ATOM 0 HB3 LYS A 50 20.516 -21.415 -1.233 1.00 0.00 H new ATOM 0 HG2 LYS A 50 19.151 -20.754 1.383 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.954 -22.328 0.639 1.00 0.00 H new ATOM 0 HD2 LYS A 50 21.630 -22.186 0.472 1.00 0.00 H new ATOM 0 HD3 LYS A 50 21.420 -21.073 1.809 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.124 -22.803 3.047 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.330 -23.916 1.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 21.947 -24.325 3.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 22.734 -23.815 2.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 22.535 -22.737 3.326 1.00 0.00 H new ATOM 805 N PRO A 51 21.890 -19.229 -2.392 1.00 0.00 N ATOM 806 CA PRO A 51 22.437 -18.859 -3.701 1.00 0.00 C ATOM 807 C PRO A 51 21.791 -19.641 -4.840 1.00 0.00 C ATOM 808 O PRO A 51 21.926 -19.280 -6.008 1.00 0.00 O ATOM 809 CB PRO A 51 23.920 -19.217 -3.580 1.00 0.00 C ATOM 810 CG PRO A 51 23.969 -20.283 -2.541 1.00 0.00 C ATOM 811 CD PRO A 51 22.865 -19.967 -1.571 1.00 0.00 C ATOM 0 HA PRO A 51 22.256 -17.810 -3.937 1.00 0.00 H new ATOM 0 HB2 PRO A 51 24.320 -19.571 -4.530 1.00 0.00 H new ATOM 0 HB3 PRO A 51 24.514 -18.351 -3.287 1.00 0.00 H new ATOM 0 HG2 PRO A 51 23.828 -21.268 -2.986 1.00 0.00 H new ATOM 0 HG3 PRO A 51 24.937 -20.295 -2.040 1.00 0.00 H new ATOM 0 HD2 PRO A 51 22.430 -20.873 -1.148 1.00 0.00 H new ATOM 0 HD3 PRO A 51 23.224 -19.366 -0.736 1.00 0.00 H new ATOM 819 N ASN A 52 21.089 -20.714 -4.492 1.00 0.00 N ATOM 820 CA ASN A 52 20.422 -21.548 -5.486 1.00 0.00 C ATOM 821 C ASN A 52 19.066 -20.962 -5.865 1.00 0.00 C ATOM 822 O ASN A 52 18.746 -20.825 -7.046 1.00 0.00 O ATOM 823 CB ASN A 52 20.245 -22.971 -4.953 1.00 0.00 C ATOM 824 CG ASN A 52 21.568 -23.636 -4.629 1.00 0.00 C ATOM 825 OD1 ASN A 52 22.212 -24.219 -5.502 1.00 0.00 O ATOM 826 ND2 ASN A 52 21.980 -23.553 -3.370 1.00 0.00 N ATOM 0 H ASN A 52 20.967 -21.027 -3.529 1.00 0.00 H new ATOM 0 HA ASN A 52 21.047 -21.577 -6.378 1.00 0.00 H new ATOM 0 HB2 ASN A 52 19.625 -22.946 -4.057 1.00 0.00 H new ATOM 0 HB3 ASN A 52 19.712 -23.569 -5.692 1.00 0.00 H new ATOM 0 HD21 ASN A 52 22.863 -23.982 -3.093 1.00 0.00 H new ATOM 0 HD22 ASN A 52 21.414 -23.060 -2.680 1.00 0.00 H new ATOM 833 N GLU A 53 18.272 -20.617 -4.856 1.00 0.00 N ATOM 834 CA GLU A 53 16.950 -20.046 -5.084 1.00 0.00 C ATOM 835 C GLU A 53 17.058 -18.622 -5.622 1.00 0.00 C ATOM 836 O GLU A 53 18.156 -18.113 -5.848 1.00 0.00 O ATOM 837 CB GLU A 53 16.136 -20.053 -3.789 1.00 0.00 C ATOM 838 CG GLU A 53 16.602 -19.025 -2.772 1.00 0.00 C ATOM 839 CD GLU A 53 16.092 -19.315 -1.373 1.00 0.00 C ATOM 840 OE1 GLU A 53 14.957 -18.899 -1.058 1.00 0.00 O ATOM 841 OE2 GLU A 53 16.827 -19.957 -0.594 1.00 0.00 O ATOM 0 H GLU A 53 18.522 -20.723 -3.873 1.00 0.00 H new ATOM 0 HA GLU A 53 16.441 -20.660 -5.827 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.089 -19.867 -4.027 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.190 -21.045 -3.341 1.00 0.00 H new ATOM 0 HG2 GLU A 53 17.692 -19.000 -2.759 1.00 0.00 H new ATOM 0 HG3 GLU A 53 16.264 -18.036 -3.080 1.00 0.00 H new ATOM 848 N THR A 54 15.910 -17.984 -5.826 1.00 0.00 N ATOM 849 CA THR A 54 15.873 -16.620 -6.338 1.00 0.00 C ATOM 850 C THR A 54 14.870 -15.770 -5.568 1.00 0.00 C ATOM 851 O THR A 54 13.659 -15.949 -5.700 1.00 0.00 O ATOM 852 CB THR A 54 15.511 -16.592 -7.835 1.00 0.00 C ATOM 853 OG1 THR A 54 16.401 -17.440 -8.571 1.00 0.00 O ATOM 854 CG2 THR A 54 15.583 -15.175 -8.383 1.00 0.00 C ATOM 0 H THR A 54 14.992 -18.391 -5.644 1.00 0.00 H new ATOM 0 HA THR A 54 16.872 -16.206 -6.205 1.00 0.00 H new ATOM 0 HB THR A 54 14.489 -16.956 -7.946 1.00 0.00 H new ATOM 0 HG1 THR A 54 16.163 -17.418 -9.521 1.00 0.00 H new ATOM 0 HG21 THR A 54 15.323 -15.181 -9.442 1.00 0.00 H new ATOM 0 HG22 THR A 54 14.883 -14.539 -7.841 1.00 0.00 H new ATOM 0 HG23 THR A 54 16.595 -14.788 -8.260 1.00 0.00 H new ATOM 862 N VAL A 55 15.381 -14.843 -4.764 1.00 0.00 N ATOM 863 CA VAL A 55 14.528 -13.963 -3.974 1.00 0.00 C ATOM 864 C VAL A 55 14.656 -12.515 -4.434 1.00 0.00 C ATOM 865 O VAL A 55 15.744 -12.060 -4.788 1.00 0.00 O ATOM 866 CB VAL A 55 14.873 -14.045 -2.475 1.00 0.00 C ATOM 867 CG1 VAL A 55 16.362 -13.829 -2.257 1.00 0.00 C ATOM 868 CG2 VAL A 55 14.057 -13.033 -1.685 1.00 0.00 C ATOM 0 H VAL A 55 16.381 -14.682 -4.643 1.00 0.00 H new ATOM 0 HA VAL A 55 13.502 -14.300 -4.123 1.00 0.00 H new ATOM 0 HB VAL A 55 14.619 -15.042 -2.115 1.00 0.00 H new ATOM 0 HG11 VAL A 55 16.587 -13.890 -1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 55 16.923 -14.596 -2.791 1.00 0.00 H new ATOM 0 HG13 VAL A 55 16.646 -12.845 -2.631 1.00 0.00 H new ATOM 0 HG21 VAL A 55 14.313 -13.105 -0.628 1.00 0.00 H new ATOM 0 HG22 VAL A 55 14.277 -12.028 -2.045 1.00 0.00 H new ATOM 0 HG23 VAL A 55 12.995 -13.240 -1.816 1.00 0.00 H new ATOM 878 N GLN A 56 13.538 -11.796 -4.427 1.00 0.00 N ATOM 879 CA GLN A 56 13.526 -10.399 -4.845 1.00 0.00 C ATOM 880 C GLN A 56 12.575 -9.580 -3.977 1.00 0.00 C ATOM 881 O GLN A 56 11.363 -9.794 -3.994 1.00 0.00 O ATOM 882 CB GLN A 56 13.117 -10.288 -6.315 1.00 0.00 C ATOM 883 CG GLN A 56 11.912 -11.140 -6.677 1.00 0.00 C ATOM 884 CD GLN A 56 12.298 -12.440 -7.356 1.00 0.00 C ATOM 885 OE1 GLN A 56 12.782 -12.442 -8.488 1.00 0.00 O ATOM 886 NE2 GLN A 56 12.086 -13.554 -6.666 1.00 0.00 N ATOM 0 H GLN A 56 12.629 -12.158 -4.137 1.00 0.00 H new ATOM 0 HA GLN A 56 14.533 -10.001 -4.725 1.00 0.00 H new ATOM 0 HB2 GLN A 56 12.896 -9.245 -6.544 1.00 0.00 H new ATOM 0 HB3 GLN A 56 13.960 -10.581 -6.941 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.344 -11.361 -5.773 1.00 0.00 H new ATOM 0 HG3 GLN A 56 11.255 -10.572 -7.335 1.00 0.00 H new ATOM 0 HE21 GLN A 56 11.683 -13.505 -5.730 1.00 0.00 H new ATOM 0 HE22 GLN A 56 12.327 -14.459 -7.071 1.00 0.00 H new ATOM 895 N CYS A 57 13.134 -8.642 -3.220 1.00 0.00 N ATOM 896 CA CYS A 57 12.337 -7.791 -2.344 1.00 0.00 C ATOM 897 C CYS A 57 12.346 -6.347 -2.835 1.00 0.00 C ATOM 898 O CYS A 57 13.374 -5.837 -3.282 1.00 0.00 O ATOM 899 CB CYS A 57 12.870 -7.857 -0.911 1.00 0.00 C ATOM 900 SG CYS A 57 14.495 -7.066 -0.685 1.00 0.00 S ATOM 0 H CYS A 57 14.136 -8.452 -3.195 1.00 0.00 H new ATOM 0 HA CYS A 57 11.310 -8.156 -2.360 1.00 0.00 H new ATOM 0 HB2 CYS A 57 12.150 -7.381 -0.245 1.00 0.00 H new ATOM 0 HB3 CYS A 57 12.941 -8.902 -0.609 1.00 0.00 H new ATOM 905 N CYS A 58 11.193 -5.692 -2.749 1.00 0.00 N ATOM 906 CA CYS A 58 11.066 -4.306 -3.185 1.00 0.00 C ATOM 907 C CYS A 58 10.269 -3.489 -2.171 1.00 0.00 C ATOM 908 O CYS A 58 9.321 -3.986 -1.565 1.00 0.00 O ATOM 909 CB CYS A 58 10.388 -4.240 -4.555 1.00 0.00 C ATOM 910 SG CYS A 58 11.531 -3.908 -5.934 1.00 0.00 S ATOM 0 H CYS A 58 10.333 -6.099 -2.381 1.00 0.00 H new ATOM 0 HA CYS A 58 12.067 -3.882 -3.262 1.00 0.00 H new ATOM 0 HB2 CYS A 58 9.876 -5.184 -4.741 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.625 -3.462 -4.534 1.00 0.00 H new ATOM 915 N SER A 59 10.662 -2.231 -1.994 1.00 0.00 N ATOM 916 CA SER A 59 9.988 -1.345 -1.052 1.00 0.00 C ATOM 917 C SER A 59 9.615 -0.025 -1.720 1.00 0.00 C ATOM 918 O SER A 59 9.651 1.034 -1.092 1.00 0.00 O ATOM 919 CB SER A 59 10.882 -1.082 0.162 1.00 0.00 C ATOM 920 OG SER A 59 10.212 -0.287 1.125 1.00 0.00 O ATOM 0 H SER A 59 11.443 -1.803 -2.491 1.00 0.00 H new ATOM 0 HA SER A 59 9.073 -1.835 -0.720 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.179 -2.030 0.611 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.796 -0.580 -0.157 1.00 0.00 H new ATOM 0 HG SER A 59 9.735 0.440 0.674 1.00 0.00 H new ATOM 926 N THR A 60 9.256 -0.096 -2.998 1.00 0.00 N ATOM 927 CA THR A 60 8.877 1.091 -3.752 1.00 0.00 C ATOM 928 C THR A 60 7.675 0.814 -4.648 1.00 0.00 C ATOM 929 O THR A 60 7.394 -0.336 -4.987 1.00 0.00 O ATOM 930 CB THR A 60 10.043 1.601 -4.620 1.00 0.00 C ATOM 931 OG1 THR A 60 11.142 0.686 -4.550 1.00 0.00 O ATOM 932 CG2 THR A 60 10.494 2.980 -4.165 1.00 0.00 C ATOM 0 H THR A 60 9.220 -0.964 -3.532 1.00 0.00 H new ATOM 0 HA THR A 60 8.614 1.857 -3.023 1.00 0.00 H new ATOM 0 HB THR A 60 9.696 1.672 -5.651 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.879 1.016 -5.106 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.318 3.319 -4.793 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.663 3.680 -4.248 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.825 2.931 -3.128 1.00 0.00 H new ATOM 940 N ASP A 61 6.969 1.873 -5.028 1.00 0.00 N ATOM 941 CA ASP A 61 5.797 1.743 -5.886 1.00 0.00 C ATOM 942 C ASP A 61 6.189 1.224 -7.266 1.00 0.00 C ATOM 943 O ASP A 61 7.130 1.722 -7.885 1.00 0.00 O ATOM 944 CB ASP A 61 5.083 3.089 -6.018 1.00 0.00 C ATOM 945 CG ASP A 61 5.761 4.009 -7.015 1.00 0.00 C ATOM 946 OD1 ASP A 61 6.784 4.627 -6.652 1.00 0.00 O ATOM 947 OD2 ASP A 61 5.269 4.110 -8.158 1.00 0.00 O ATOM 0 H ASP A 61 7.188 2.831 -4.755 1.00 0.00 H new ATOM 0 HA ASP A 61 5.119 1.024 -5.426 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.051 2.921 -6.327 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.049 3.576 -5.043 1.00 0.00 H new ATOM 952 N LYS A 62 5.463 0.219 -7.743 1.00 0.00 N ATOM 953 CA LYS A 62 5.733 -0.369 -9.050 1.00 0.00 C ATOM 954 C LYS A 62 7.142 -0.952 -9.103 1.00 0.00 C ATOM 955 O LYS A 62 7.698 -1.162 -10.182 1.00 0.00 O ATOM 956 CB LYS A 62 5.563 0.682 -10.150 1.00 0.00 C ATOM 957 CG LYS A 62 4.170 0.709 -10.754 1.00 0.00 C ATOM 958 CD LYS A 62 3.206 1.514 -9.897 1.00 0.00 C ATOM 959 CE LYS A 62 1.830 1.602 -10.539 1.00 0.00 C ATOM 960 NZ LYS A 62 1.199 0.261 -10.684 1.00 0.00 N ATOM 0 H LYS A 62 4.682 -0.206 -7.243 1.00 0.00 H new ATOM 0 HA LYS A 62 5.018 -1.176 -9.213 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.791 1.666 -9.740 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.289 0.490 -10.940 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.215 1.139 -11.755 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.799 -0.310 -10.861 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.121 1.053 -8.913 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.603 2.518 -9.746 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.187 2.242 -9.935 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.916 2.071 -11.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.200 0.374 -10.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.694 -0.278 -11.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.262 -0.252 -9.781 1.00 0.00 H new ATOM 974 N CYS A 63 7.714 -1.212 -7.933 1.00 0.00 N ATOM 975 CA CYS A 63 9.057 -1.772 -7.845 1.00 0.00 C ATOM 976 C CYS A 63 9.017 -3.296 -7.918 1.00 0.00 C ATOM 977 O CYS A 63 9.705 -3.907 -8.735 1.00 0.00 O ATOM 978 CB CYS A 63 9.733 -1.330 -6.546 1.00 0.00 C ATOM 979 SG CYS A 63 11.432 -1.956 -6.341 1.00 0.00 S ATOM 0 H CYS A 63 7.268 -1.044 -7.031 1.00 0.00 H new ATOM 0 HA CYS A 63 9.634 -1.400 -8.691 1.00 0.00 H new ATOM 0 HB2 CYS A 63 9.752 -0.241 -6.511 1.00 0.00 H new ATOM 0 HB3 CYS A 63 9.129 -1.665 -5.703 1.00 0.00 H new ATOM 984 N ASN A 64 8.207 -3.903 -7.057 1.00 0.00 N ATOM 985 CA ASN A 64 8.076 -5.355 -7.022 1.00 0.00 C ATOM 986 C ASN A 64 7.828 -5.912 -8.421 1.00 0.00 C ATOM 987 O ASN A 64 6.758 -5.717 -8.998 1.00 0.00 O ATOM 988 CB ASN A 64 6.936 -5.764 -6.088 1.00 0.00 C ATOM 989 CG ASN A 64 7.256 -7.018 -5.299 1.00 0.00 C ATOM 990 OD1 ASN A 64 8.421 -7.323 -5.042 1.00 0.00 O ATOM 991 ND2 ASN A 64 6.221 -7.753 -4.910 1.00 0.00 N ATOM 0 H ASN A 64 7.631 -3.411 -6.374 1.00 0.00 H new ATOM 0 HA ASN A 64 9.011 -5.770 -6.645 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.725 -4.947 -5.397 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.031 -5.928 -6.674 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.375 -8.608 -4.376 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.272 -7.462 -5.145 1.00 0.00 H new ATOM 998 N LYS A 65 8.823 -6.607 -8.960 1.00 0.00 N ATOM 999 CA LYS A 65 8.714 -7.195 -10.290 1.00 0.00 C ATOM 1000 C LYS A 65 7.790 -8.409 -10.274 1.00 0.00 C ATOM 1001 O LYS A 65 6.738 -8.392 -9.633 1.00 0.00 O ATOM 1002 CB LYS A 65 10.097 -7.601 -10.806 1.00 0.00 C ATOM 1003 CG LYS A 65 10.209 -7.583 -12.321 1.00 0.00 C ATOM 1004 CD LYS A 65 10.902 -6.324 -12.814 1.00 0.00 C ATOM 1005 CE LYS A 65 11.325 -6.453 -14.269 1.00 0.00 C ATOM 1006 NZ LYS A 65 10.162 -6.711 -15.163 1.00 0.00 N ATOM 0 H LYS A 65 9.715 -6.777 -8.496 1.00 0.00 H new ATOM 0 HA LYS A 65 8.289 -6.445 -10.958 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.844 -6.928 -10.387 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.331 -8.602 -10.444 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.763 -8.460 -12.656 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.214 -7.648 -12.761 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.232 -5.472 -12.703 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.777 -6.124 -12.196 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.829 -5.539 -14.583 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.046 -7.265 -14.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.469 -6.658 -16.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.778 -7.658 -14.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.426 -5.997 -14.990 1.00 0.00 H new