USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=10 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+ -114:sc= 0.0733 (180deg=-0.0611) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.61) 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) USER MOD Single : A 16 THR OG1 : rot -150:sc=-0.00551 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.317) USER MOD Single : A 29 TYR OH : rot 15:sc= -1.04 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 45 SER OG : rot 180:sc= -0.0453 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 141:sc= 0.0106 USER MOD Single : A 56 GLN : amide:sc= -6.81! K(o=-6.8!,f=-1.8) USER MOD Single : A 59 SER OG : rot -53:sc= -0.412 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.191 USER MOD Single : A 62 LYS NZ :NH3+ -152:sc= -0.111 (180deg=-0.588) USER MOD Single : A 64 ASN : amide:sc= -2.82 X(o=-2.8,f=-2.4!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.890 0.469 -0.691 1.00 0.00 N ATOM 2 CA LEU A 1 2.328 0.612 -2.075 1.00 0.00 C ATOM 3 C LEU A 1 1.832 -0.552 -2.926 1.00 0.00 C ATOM 4 O LEU A 1 1.511 -1.622 -2.409 1.00 0.00 O ATOM 5 CB LEU A 1 3.854 0.693 -2.141 1.00 0.00 C ATOM 6 CG LEU A 1 4.610 -0.596 -1.818 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.924 -1.364 -3.092 1.00 0.00 C ATOM 8 CD2 LEU A 1 5.887 -0.288 -1.050 1.00 0.00 C ATOM 0 H1 LEU A 1 1.223 1.232 -0.457 1.00 0.00 H new ATOM 0 H2 LEU A 1 1.420 -0.451 -0.569 1.00 0.00 H new ATOM 0 H3 LEU A 1 2.714 0.523 -0.059 1.00 0.00 H new ATOM 0 HA LEU A 1 1.903 1.534 -2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.138 1.015 -3.143 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.187 1.468 -1.451 1.00 0.00 H new ATOM 0 HG LEU A 1 3.974 -1.220 -1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 1 5.462 -2.278 -2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.995 -1.618 -3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 1 5.540 -0.747 -3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 1 6.412 -1.217 -0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 1 6.528 0.356 -1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 1 5.638 0.218 -0.118 1.00 0.00 H new ATOM 20 N THR A 2 1.773 -0.336 -4.237 1.00 0.00 N ATOM 21 CA THR A 2 1.317 -1.367 -5.161 1.00 0.00 C ATOM 22 C THR A 2 2.492 -2.155 -5.729 1.00 0.00 C ATOM 23 O THR A 2 3.402 -1.584 -6.331 1.00 0.00 O ATOM 24 CB THR A 2 0.509 -0.761 -6.324 1.00 0.00 C ATOM 25 OG1 THR A 2 -0.437 0.188 -5.821 1.00 0.00 O ATOM 26 CG2 THR A 2 -0.219 -1.848 -7.101 1.00 0.00 C ATOM 0 H THR A 2 2.035 0.543 -4.682 1.00 0.00 H new ATOM 0 HA THR A 2 0.674 -2.039 -4.593 1.00 0.00 H new ATOM 0 HB THR A 2 1.204 -0.259 -6.997 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.945 0.570 -6.567 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.783 -1.396 -7.917 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.506 -2.553 -7.507 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.903 -2.375 -6.436 1.00 0.00 H new ATOM 34 N CYS A 3 2.466 -3.469 -5.536 1.00 0.00 N ATOM 35 CA CYS A 3 3.529 -4.336 -6.029 1.00 0.00 C ATOM 36 C CYS A 3 2.951 -5.534 -6.777 1.00 0.00 C ATOM 37 O CYS A 3 1.952 -6.120 -6.356 1.00 0.00 O ATOM 38 CB CYS A 3 4.403 -4.818 -4.869 1.00 0.00 C ATOM 39 SG CYS A 3 3.519 -4.962 -3.283 1.00 0.00 S ATOM 0 H CYS A 3 1.720 -3.957 -5.041 1.00 0.00 H new ATOM 0 HA CYS A 3 4.142 -3.759 -6.721 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.827 -5.789 -5.126 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.238 -4.128 -4.746 1.00 0.00 H new ATOM 44 N LEU A 4 3.585 -5.894 -7.887 1.00 0.00 N ATOM 45 CA LEU A 4 3.134 -7.022 -8.694 1.00 0.00 C ATOM 46 C LEU A 4 3.382 -8.342 -7.971 1.00 0.00 C ATOM 47 O LEU A 4 4.239 -8.427 -7.091 1.00 0.00 O ATOM 48 CB LEU A 4 3.850 -7.026 -10.046 1.00 0.00 C ATOM 49 CG LEU A 4 4.093 -5.656 -10.681 1.00 0.00 C ATOM 50 CD1 LEU A 4 4.712 -5.809 -12.061 1.00 0.00 C ATOM 51 CD2 LEU A 4 2.794 -4.867 -10.761 1.00 0.00 C ATOM 0 H LEU A 4 4.413 -5.421 -8.249 1.00 0.00 H new ATOM 0 HA LEU A 4 2.062 -6.914 -8.858 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.812 -7.523 -9.924 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.266 -7.628 -10.742 1.00 0.00 H new ATOM 0 HG LEU A 4 4.791 -5.104 -10.052 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.877 -4.824 -12.497 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.664 -6.333 -11.977 1.00 0.00 H new ATOM 0 HD13 LEU A 4 4.039 -6.380 -12.700 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.986 -3.895 -11.215 1.00 0.00 H new ATOM 0 HD22 LEU A 4 2.072 -5.415 -11.367 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.392 -4.725 -9.758 1.00 0.00 H new ATOM 63 N ILE A 5 2.629 -9.369 -8.350 1.00 0.00 N ATOM 64 CA ILE A 5 2.770 -10.685 -7.740 1.00 0.00 C ATOM 65 C ILE A 5 1.955 -11.731 -8.494 1.00 0.00 C ATOM 66 O ILE A 5 0.807 -11.488 -8.868 1.00 0.00 O ATOM 67 CB ILE A 5 2.328 -10.672 -6.265 1.00 0.00 C ATOM 68 CG1 ILE A 5 2.317 -12.094 -5.700 1.00 0.00 C ATOM 69 CG2 ILE A 5 0.954 -10.032 -6.129 1.00 0.00 C ATOM 70 CD1 ILE A 5 1.608 -12.211 -4.370 1.00 0.00 C ATOM 0 H ILE A 5 1.915 -9.315 -9.077 1.00 0.00 H new ATOM 0 HA ILE A 5 3.827 -10.945 -7.792 1.00 0.00 H new ATOM 0 HB ILE A 5 3.042 -10.079 -5.693 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.836 -12.758 -6.418 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.345 -12.439 -5.586 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.656 -10.030 -5.081 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.992 -9.007 -6.497 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.229 -10.600 -6.712 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.640 -13.246 -4.031 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.102 -11.574 -3.637 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.570 -11.898 -4.482 1.00 0.00 H new ATOM 82 N CYS A 6 2.555 -12.896 -8.713 1.00 0.00 N ATOM 83 CA CYS A 6 1.885 -13.980 -9.421 1.00 0.00 C ATOM 84 C CYS A 6 2.849 -15.134 -9.685 1.00 0.00 C ATOM 85 O CYS A 6 3.656 -15.101 -10.614 1.00 0.00 O ATOM 86 CB CYS A 6 1.305 -13.473 -10.743 1.00 0.00 C ATOM 87 SG CYS A 6 0.706 -14.792 -11.847 1.00 0.00 S ATOM 0 H CYS A 6 3.504 -13.114 -8.410 1.00 0.00 H new ATOM 0 HA CYS A 6 1.073 -14.344 -8.792 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.482 -12.792 -10.529 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.069 -12.896 -11.265 1.00 0.00 H new ATOM 92 N PRO A 7 2.764 -16.179 -8.849 1.00 0.00 N ATOM 93 CA PRO A 7 3.619 -17.363 -8.972 1.00 0.00 C ATOM 94 C PRO A 7 3.283 -18.196 -10.204 1.00 0.00 C ATOM 95 O PRO A 7 2.287 -18.919 -10.221 1.00 0.00 O ATOM 96 CB PRO A 7 3.319 -18.151 -7.694 1.00 0.00 C ATOM 97 CG PRO A 7 1.948 -17.724 -7.299 1.00 0.00 C ATOM 98 CD PRO A 7 1.825 -16.286 -7.719 1.00 0.00 C ATOM 0 HA PRO A 7 4.670 -17.097 -9.088 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.363 -19.225 -7.872 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.044 -17.927 -6.912 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.192 -18.339 -7.787 1.00 0.00 H new ATOM 0 HG3 PRO A 7 1.801 -17.831 -6.224 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.806 -16.041 -8.019 1.00 0.00 H new ATOM 0 HD3 PRO A 7 2.092 -15.607 -6.909 1.00 0.00 H new ATOM 106 N GLU A 8 4.119 -18.089 -11.231 1.00 0.00 N ATOM 107 CA GLU A 8 3.909 -18.834 -12.467 1.00 0.00 C ATOM 108 C GLU A 8 5.029 -18.558 -13.466 1.00 0.00 C ATOM 109 O GLU A 8 5.966 -17.813 -13.176 1.00 0.00 O ATOM 110 CB GLU A 8 2.558 -18.468 -13.085 1.00 0.00 C ATOM 111 CG GLU A 8 1.502 -19.548 -12.924 1.00 0.00 C ATOM 112 CD GLU A 8 0.572 -19.639 -14.119 1.00 0.00 C ATOM 113 OE1 GLU A 8 -0.066 -18.619 -14.453 1.00 0.00 O ATOM 114 OE2 GLU A 8 0.484 -20.730 -14.719 1.00 0.00 O ATOM 0 H GLU A 8 4.948 -17.494 -11.232 1.00 0.00 H new ATOM 0 HA GLU A 8 3.915 -19.897 -12.226 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.196 -17.547 -12.627 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.697 -18.263 -14.147 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.992 -20.510 -12.776 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.916 -19.347 -12.027 1.00 0.00 H new ATOM 121 N LYS A 9 4.926 -19.165 -14.644 1.00 0.00 N ATOM 122 CA LYS A 9 5.929 -18.986 -15.687 1.00 0.00 C ATOM 123 C LYS A 9 6.015 -17.524 -16.113 1.00 0.00 C ATOM 124 O LYS A 9 6.927 -16.802 -15.708 1.00 0.00 O ATOM 125 CB LYS A 9 5.597 -19.862 -16.897 1.00 0.00 C ATOM 126 CG LYS A 9 6.164 -21.268 -16.804 1.00 0.00 C ATOM 127 CD LYS A 9 7.682 -21.262 -16.866 1.00 0.00 C ATOM 128 CE LYS A 9 8.296 -21.581 -15.512 1.00 0.00 C ATOM 129 NZ LYS A 9 8.554 -23.038 -15.348 1.00 0.00 N ATOM 0 H LYS A 9 4.158 -19.785 -14.900 1.00 0.00 H new ATOM 0 HA LYS A 9 6.896 -19.286 -15.283 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.514 -19.922 -17.005 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.981 -19.383 -17.798 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.839 -21.732 -15.873 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.768 -21.876 -17.618 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.020 -21.992 -17.601 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.030 -20.286 -17.203 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.231 -21.032 -15.399 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.628 -21.239 -14.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.973 -23.213 -14.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.659 -23.561 -15.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.211 -23.359 -16.087 1.00 0.00 H new ATOM 143 N ASP A 10 5.061 -17.093 -16.931 1.00 0.00 N ATOM 144 CA ASP A 10 5.029 -15.716 -17.410 1.00 0.00 C ATOM 145 C ASP A 10 3.700 -15.051 -17.063 1.00 0.00 C ATOM 146 O ASP A 10 2.695 -15.256 -17.744 1.00 0.00 O ATOM 147 CB ASP A 10 5.255 -15.674 -18.922 1.00 0.00 C ATOM 148 CG ASP A 10 4.623 -16.853 -19.635 1.00 0.00 C ATOM 149 OD1 ASP A 10 3.461 -17.184 -19.320 1.00 0.00 O ATOM 150 OD2 ASP A 10 5.291 -17.445 -20.509 1.00 0.00 O ATOM 0 H ASP A 10 4.300 -17.677 -17.276 1.00 0.00 H new ATOM 0 HA ASP A 10 5.830 -15.166 -16.916 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.843 -14.748 -19.322 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.326 -15.661 -19.126 1.00 0.00 H new ATOM 155 N CYS A 11 3.703 -14.256 -15.999 1.00 0.00 N ATOM 156 CA CYS A 11 2.498 -13.562 -15.560 1.00 0.00 C ATOM 157 C CYS A 11 2.845 -12.420 -14.608 1.00 0.00 C ATOM 158 O CYS A 11 4.017 -12.127 -14.377 1.00 0.00 O ATOM 159 CB CYS A 11 1.543 -14.540 -14.873 1.00 0.00 C ATOM 160 SG CYS A 11 2.016 -14.967 -13.167 1.00 0.00 S ATOM 0 H CYS A 11 4.526 -14.076 -15.424 1.00 0.00 H new ATOM 0 HA CYS A 11 2.009 -13.143 -16.439 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.542 -14.108 -14.864 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.490 -15.455 -15.464 1.00 0.00 H new ATOM 165 N GLN A 12 1.816 -11.780 -14.062 1.00 0.00 N ATOM 166 CA GLN A 12 2.012 -10.670 -13.136 1.00 0.00 C ATOM 167 C GLN A 12 0.674 -10.091 -12.690 1.00 0.00 C ATOM 168 O GLN A 12 -0.081 -9.549 -13.497 1.00 0.00 O ATOM 169 CB GLN A 12 2.862 -9.578 -13.789 1.00 0.00 C ATOM 170 CG GLN A 12 2.439 -9.247 -15.211 1.00 0.00 C ATOM 171 CD GLN A 12 3.350 -8.230 -15.869 1.00 0.00 C ATOM 172 OE1 GLN A 12 4.558 -8.215 -15.630 1.00 0.00 O ATOM 173 NE2 GLN A 12 2.776 -7.371 -16.703 1.00 0.00 N ATOM 0 H GLN A 12 0.839 -12.010 -14.244 1.00 0.00 H new ATOM 0 HA GLN A 12 2.533 -11.050 -12.257 1.00 0.00 H new ATOM 0 HB2 GLN A 12 2.806 -8.674 -13.182 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.905 -9.895 -13.793 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.431 -10.160 -15.806 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.419 -8.863 -15.203 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.771 -7.419 -16.873 1.00 0.00 H new ATOM 0 HE22 GLN A 12 3.340 -6.663 -17.174 1.00 0.00 H new ATOM 182 N LYS A 13 0.385 -10.209 -11.398 1.00 0.00 N ATOM 183 CA LYS A 13 -0.862 -9.697 -10.842 1.00 0.00 C ATOM 184 C LYS A 13 -0.590 -8.614 -9.803 1.00 0.00 C ATOM 185 O LYS A 13 -0.022 -8.883 -8.745 1.00 0.00 O ATOM 186 CB LYS A 13 -1.667 -10.834 -10.210 1.00 0.00 C ATOM 187 CG LYS A 13 -3.149 -10.787 -10.541 1.00 0.00 C ATOM 188 CD LYS A 13 -3.913 -9.917 -9.558 1.00 0.00 C ATOM 189 CE LYS A 13 -4.566 -8.732 -10.252 1.00 0.00 C ATOM 190 NZ LYS A 13 -5.884 -8.393 -9.648 1.00 0.00 N ATOM 0 H LYS A 13 0.998 -10.655 -10.716 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.441 -9.259 -11.655 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.258 -11.787 -10.545 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.544 -10.797 -9.128 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.285 -10.401 -11.551 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.558 -11.797 -10.528 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.677 -10.514 -9.060 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.234 -9.558 -8.785 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.906 -7.867 -10.192 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.699 -8.959 -11.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.297 -7.580 -10.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.523 -9.210 -9.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.754 -8.152 -8.645 1.00 0.00 H new ATOM 204 N VAL A 14 -1.000 -7.388 -10.112 1.00 0.00 N ATOM 205 CA VAL A 14 -0.803 -6.264 -9.204 1.00 0.00 C ATOM 206 C VAL A 14 -1.429 -6.542 -7.842 1.00 0.00 C ATOM 207 O VAL A 14 -2.504 -7.135 -7.750 1.00 0.00 O ATOM 208 CB VAL A 14 -1.404 -4.967 -9.777 1.00 0.00 C ATOM 209 CG1 VAL A 14 -0.800 -4.654 -11.138 1.00 0.00 C ATOM 210 CG2 VAL A 14 -2.919 -5.077 -9.870 1.00 0.00 C ATOM 0 H VAL A 14 -1.471 -7.148 -10.984 1.00 0.00 H new ATOM 0 HA VAL A 14 0.273 -6.136 -9.087 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.163 -4.146 -9.101 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.237 -3.734 -11.527 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.278 -4.530 -11.038 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.008 -5.474 -11.826 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.327 -4.152 -10.277 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.184 -5.908 -10.523 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.333 -5.250 -8.877 1.00 0.00 H new ATOM 220 N HIS A 15 -0.748 -6.110 -6.785 1.00 0.00 N ATOM 221 CA HIS A 15 -1.238 -6.312 -5.426 1.00 0.00 C ATOM 222 C HIS A 15 -0.737 -5.208 -4.499 1.00 0.00 C ATOM 223 O HIS A 15 0.467 -4.979 -4.382 1.00 0.00 O ATOM 224 CB HIS A 15 -0.795 -7.677 -4.899 1.00 0.00 C ATOM 225 CG HIS A 15 -1.089 -7.882 -3.444 1.00 0.00 C ATOM 226 ND1 HIS A 15 -0.110 -7.892 -2.473 1.00 0.00 N ATOM 227 CD2 HIS A 15 -2.261 -8.083 -2.798 1.00 0.00 C ATOM 228 CE1 HIS A 15 -0.668 -8.093 -1.292 1.00 0.00 C ATOM 229 NE2 HIS A 15 -1.972 -8.211 -1.462 1.00 0.00 N ATOM 0 H HIS A 15 0.144 -5.618 -6.843 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.327 -6.277 -5.449 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -1.291 -8.458 -5.475 1.00 0.00 H new ATOM 0 HB3 HIS A 15 0.276 -7.791 -5.064 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.241 -8.133 -3.249 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -0.146 -8.151 -0.348 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -2.654 -8.371 -0.721 1.00 0.00 H new ATOM 237 N THR A 16 -1.670 -4.526 -3.841 1.00 0.00 N ATOM 238 CA THR A 16 -1.324 -3.446 -2.926 1.00 0.00 C ATOM 239 C THR A 16 -1.162 -3.962 -1.501 1.00 0.00 C ATOM 240 O THR A 16 -2.076 -4.569 -0.942 1.00 0.00 O ATOM 241 CB THR A 16 -2.391 -2.335 -2.939 1.00 0.00 C ATOM 242 OG1 THR A 16 -3.155 -2.404 -4.148 1.00 0.00 O ATOM 243 CG2 THR A 16 -1.745 -0.963 -2.820 1.00 0.00 C ATOM 0 H THR A 16 -2.671 -4.703 -3.925 1.00 0.00 H new ATOM 0 HA THR A 16 -0.376 -3.033 -3.270 1.00 0.00 H new ATOM 0 HB THR A 16 -3.050 -2.485 -2.084 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.466 -1.507 -4.390 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.518 -0.195 -2.831 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.188 -0.903 -1.885 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.066 -0.807 -3.658 1.00 0.00 H new ATOM 251 N CYS A 17 0.007 -3.718 -0.917 1.00 0.00 N ATOM 252 CA CYS A 17 0.289 -4.158 0.443 1.00 0.00 C ATOM 253 C CYS A 17 -0.460 -3.300 1.459 1.00 0.00 C ATOM 254 O CYS A 17 0.089 -2.340 2.000 1.00 0.00 O ATOM 255 CB CYS A 17 1.793 -4.099 0.719 1.00 0.00 C ATOM 256 SG CYS A 17 2.730 -5.503 0.035 1.00 0.00 S ATOM 0 H CYS A 17 0.774 -3.217 -1.366 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.052 -5.189 0.543 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.192 -3.173 0.304 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.953 -4.060 1.797 1.00 0.00 H new ATOM 261 N ARG A 18 -1.715 -3.654 1.713 1.00 0.00 N ATOM 262 CA ARG A 18 -2.540 -2.917 2.663 1.00 0.00 C ATOM 263 C ARG A 18 -2.454 -3.538 4.054 1.00 0.00 C ATOM 264 O ARG A 18 -3.310 -3.298 4.905 1.00 0.00 O ATOM 265 CB ARG A 18 -3.995 -2.889 2.193 1.00 0.00 C ATOM 266 CG ARG A 18 -4.156 -2.514 0.729 1.00 0.00 C ATOM 267 CD ARG A 18 -5.621 -2.453 0.327 1.00 0.00 C ATOM 268 NE ARG A 18 -5.811 -1.765 -0.947 1.00 0.00 N ATOM 269 CZ ARG A 18 -5.643 -2.349 -2.129 1.00 0.00 C ATOM 270 NH1 ARG A 18 -5.285 -3.623 -2.198 1.00 0.00 N ATOM 271 NH2 ARG A 18 -5.835 -1.657 -3.245 1.00 0.00 N ATOM 0 H ARG A 18 -2.183 -4.447 1.274 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.164 -1.895 2.717 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.440 -3.870 2.359 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.552 -2.179 2.804 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.687 -1.547 0.546 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.637 -3.243 0.106 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.020 -3.465 0.255 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.189 -1.941 1.104 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.088 -0.783 -0.929 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.138 -4.158 -1.342 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.157 -4.068 -3.107 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.112 -0.676 -3.196 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.706 -2.106 -4.152 1.00 0.00 H new ATOM 285 N ASN A 19 -1.417 -4.338 4.277 1.00 0.00 N ATOM 286 CA ASN A 19 -1.220 -4.994 5.564 1.00 0.00 C ATOM 287 C ASN A 19 -0.260 -4.196 6.441 1.00 0.00 C ATOM 288 O ASN A 19 0.262 -3.163 6.024 1.00 0.00 O ATOM 289 CB ASN A 19 -0.683 -6.413 5.360 1.00 0.00 C ATOM 290 CG ASN A 19 -1.373 -7.133 4.217 1.00 0.00 C ATOM 291 OD1 ASN A 19 -2.597 -7.265 4.200 1.00 0.00 O ATOM 292 ND2 ASN A 19 -0.588 -7.604 3.255 1.00 0.00 N ATOM 0 H ASN A 19 -0.700 -4.548 3.583 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.185 -5.047 6.068 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.388 -6.369 5.164 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.816 -6.984 6.279 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.995 -8.098 2.461 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.422 -7.472 3.310 1.00 0.00 H new ATOM 299 N GLU A 20 -0.032 -4.685 7.656 1.00 0.00 N ATOM 300 CA GLU A 20 0.866 -4.017 8.591 1.00 0.00 C ATOM 301 C GLU A 20 2.243 -3.809 7.969 1.00 0.00 C ATOM 302 O GLU A 20 2.978 -2.899 8.352 1.00 0.00 O ATOM 303 CB GLU A 20 0.993 -4.831 9.880 1.00 0.00 C ATOM 304 CG GLU A 20 -0.224 -4.733 10.785 1.00 0.00 C ATOM 305 CD GLU A 20 0.120 -4.931 12.248 1.00 0.00 C ATOM 306 OE1 GLU A 20 0.166 -6.095 12.696 1.00 0.00 O ATOM 307 OE2 GLU A 20 0.344 -3.919 12.946 1.00 0.00 O ATOM 0 H GLU A 20 -0.456 -5.540 8.016 1.00 0.00 H new ATOM 0 HA GLU A 20 0.443 -3.041 8.827 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.161 -5.877 9.624 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.872 -4.492 10.429 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.692 -3.757 10.654 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.957 -5.481 10.484 1.00 0.00 H new ATOM 314 N GLU A 21 2.587 -4.661 7.007 1.00 0.00 N ATOM 315 CA GLU A 21 3.876 -4.571 6.333 1.00 0.00 C ATOM 316 C GLU A 21 3.966 -3.299 5.496 1.00 0.00 C ATOM 317 O GLU A 21 3.116 -2.413 5.598 1.00 0.00 O ATOM 318 CB GLU A 21 4.098 -5.796 5.444 1.00 0.00 C ATOM 319 CG GLU A 21 3.784 -7.114 6.133 1.00 0.00 C ATOM 320 CD GLU A 21 4.279 -7.155 7.565 1.00 0.00 C ATOM 321 OE1 GLU A 21 5.453 -7.524 7.777 1.00 0.00 O ATOM 322 OE2 GLU A 21 3.492 -6.818 8.474 1.00 0.00 O ATOM 0 H GLU A 21 1.991 -5.420 6.678 1.00 0.00 H new ATOM 0 HA GLU A 21 4.654 -4.538 7.096 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.477 -5.705 4.553 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.135 -5.809 5.110 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.707 -7.279 6.120 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.238 -7.931 5.572 1.00 0.00 H new ATOM 329 N LYS A 22 5.002 -3.213 4.669 1.00 0.00 N ATOM 330 CA LYS A 22 5.205 -2.051 3.813 1.00 0.00 C ATOM 331 C LYS A 22 5.862 -2.452 2.496 1.00 0.00 C ATOM 332 O LYS A 22 5.391 -2.085 1.419 1.00 0.00 O ATOM 333 CB LYS A 22 6.067 -1.009 4.529 1.00 0.00 C ATOM 334 CG LYS A 22 5.370 -0.346 5.704 1.00 0.00 C ATOM 335 CD LYS A 22 6.348 0.438 6.563 1.00 0.00 C ATOM 336 CE LYS A 22 5.653 1.565 7.311 1.00 0.00 C ATOM 337 NZ LYS A 22 5.469 2.769 6.455 1.00 0.00 N ATOM 0 H LYS A 22 5.715 -3.936 4.574 1.00 0.00 H new ATOM 0 HA LYS A 22 4.229 -1.618 3.594 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.981 -1.487 4.882 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.364 -0.242 3.814 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.591 0.322 5.336 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.878 -1.105 6.312 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.826 -0.233 7.276 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.137 0.850 5.934 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.682 1.220 7.666 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.238 1.831 8.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.992 3.514 7.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.397 3.114 6.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.889 2.522 5.628 1.00 0.00 H new ATOM 351 N ILE A 23 6.950 -3.208 2.590 1.00 0.00 N ATOM 352 CA ILE A 23 7.670 -3.661 1.406 1.00 0.00 C ATOM 353 C ILE A 23 7.136 -5.004 0.919 1.00 0.00 C ATOM 354 O ILE A 23 6.402 -5.689 1.633 1.00 0.00 O ATOM 355 CB ILE A 23 9.180 -3.790 1.680 1.00 0.00 C ATOM 356 CG1 ILE A 23 9.434 -4.819 2.783 1.00 0.00 C ATOM 357 CG2 ILE A 23 9.766 -2.440 2.062 1.00 0.00 C ATOM 358 CD1 ILE A 23 10.853 -5.342 2.806 1.00 0.00 C ATOM 0 H ILE A 23 7.353 -3.520 3.474 1.00 0.00 H new ATOM 0 HA ILE A 23 7.513 -2.908 0.634 1.00 0.00 H new ATOM 0 HB ILE A 23 9.672 -4.133 0.770 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.206 -4.368 3.749 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.749 -5.657 2.652 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.834 -2.548 2.253 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.612 -1.733 1.247 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.273 -2.070 2.961 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.961 -6.067 3.613 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.079 -5.822 1.854 1.00 0.00 H new ATOM 0 HD13 ILE A 23 11.543 -4.514 2.968 1.00 0.00 H new ATOM 370 N CYS A 24 7.511 -5.377 -0.300 1.00 0.00 N ATOM 371 CA CYS A 24 7.072 -6.639 -0.883 1.00 0.00 C ATOM 372 C CYS A 24 8.268 -7.496 -1.288 1.00 0.00 C ATOM 373 O CYS A 24 9.126 -7.062 -2.056 1.00 0.00 O ATOM 374 CB CYS A 24 6.182 -6.380 -2.100 1.00 0.00 C ATOM 375 SG CYS A 24 4.897 -5.118 -1.826 1.00 0.00 S ATOM 0 H CYS A 24 8.118 -4.823 -0.904 1.00 0.00 H new ATOM 0 HA CYS A 24 6.498 -7.179 -0.129 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.809 -6.069 -2.936 1.00 0.00 H new ATOM 0 HB3 CYS A 24 5.702 -7.314 -2.391 1.00 0.00 H new ATOM 380 N VAL A 25 8.318 -8.717 -0.764 1.00 0.00 N ATOM 381 CA VAL A 25 9.407 -9.637 -1.071 1.00 0.00 C ATOM 382 C VAL A 25 8.873 -10.970 -1.582 1.00 0.00 C ATOM 383 O VAL A 25 7.723 -11.329 -1.330 1.00 0.00 O ATOM 384 CB VAL A 25 10.293 -9.890 0.164 1.00 0.00 C ATOM 385 CG1 VAL A 25 11.603 -10.546 -0.244 1.00 0.00 C ATOM 386 CG2 VAL A 25 10.548 -8.589 0.911 1.00 0.00 C ATOM 0 H VAL A 25 7.617 -9.092 -0.125 1.00 0.00 H new ATOM 0 HA VAL A 25 10.008 -9.168 -1.850 1.00 0.00 H new ATOM 0 HB VAL A 25 9.768 -10.570 0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 25 12.216 -10.717 0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.396 -11.499 -0.732 1.00 0.00 H new ATOM 0 HG13 VAL A 25 12.137 -9.893 -0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 25 11.175 -8.786 1.780 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.053 -7.884 0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.598 -8.165 1.237 1.00 0.00 H new ATOM 396 N LYS A 26 9.717 -11.702 -2.301 1.00 0.00 N ATOM 397 CA LYS A 26 9.332 -12.998 -2.847 1.00 0.00 C ATOM 398 C LYS A 26 10.560 -13.867 -3.104 1.00 0.00 C ATOM 399 O LYS A 26 11.625 -13.363 -3.459 1.00 0.00 O ATOM 400 CB LYS A 26 8.544 -12.814 -4.146 1.00 0.00 C ATOM 401 CG LYS A 26 8.431 -14.082 -4.974 1.00 0.00 C ATOM 402 CD LYS A 26 7.613 -13.855 -6.234 1.00 0.00 C ATOM 403 CE LYS A 26 6.946 -15.138 -6.706 1.00 0.00 C ATOM 404 NZ LYS A 26 5.671 -14.868 -7.426 1.00 0.00 N ATOM 0 H LYS A 26 10.673 -11.420 -2.519 1.00 0.00 H new ATOM 0 HA LYS A 26 8.700 -13.500 -2.114 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.543 -12.456 -3.906 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.024 -12.040 -4.745 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.428 -14.431 -5.244 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.969 -14.868 -4.376 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.853 -13.098 -6.044 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.258 -13.468 -7.023 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.626 -15.680 -7.363 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.750 -15.782 -5.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.983 -15.617 -7.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.290 -13.949 -7.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.848 -14.849 -8.451 1.00 0.00 H new ATOM 418 N ARG A 27 10.402 -15.174 -2.923 1.00 0.00 N ATOM 419 CA ARG A 27 11.498 -16.112 -3.135 1.00 0.00 C ATOM 420 C ARG A 27 11.046 -17.291 -3.992 1.00 0.00 C ATOM 421 O ARG A 27 9.985 -17.871 -3.759 1.00 0.00 O ATOM 422 CB ARG A 27 12.031 -16.618 -1.793 1.00 0.00 C ATOM 423 CG ARG A 27 12.173 -15.528 -0.744 1.00 0.00 C ATOM 424 CD ARG A 27 12.843 -16.052 0.517 1.00 0.00 C ATOM 425 NE ARG A 27 11.916 -16.807 1.355 1.00 0.00 N ATOM 426 CZ ARG A 27 11.025 -16.240 2.161 1.00 0.00 C ATOM 427 NH1 ARG A 27 10.941 -14.919 2.236 1.00 0.00 N ATOM 428 NH2 ARG A 27 10.216 -16.994 2.893 1.00 0.00 N ATOM 0 H ARG A 27 9.526 -15.607 -2.630 1.00 0.00 H new ATOM 0 HA ARG A 27 12.296 -15.587 -3.661 1.00 0.00 H new ATOM 0 HB2 ARG A 27 11.362 -17.390 -1.414 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.002 -17.087 -1.951 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.757 -14.703 -1.152 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.189 -15.130 -0.496 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.685 -16.688 0.243 1.00 0.00 H new ATOM 0 HD3 ARG A 27 13.248 -15.216 1.087 1.00 0.00 H new ATOM 0 HE ARG A 27 11.955 -17.826 1.320 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.561 -14.336 1.674 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.256 -14.486 2.855 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.277 -18.011 2.838 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.532 -16.557 3.511 1.00 0.00 H new ATOM 442 N PHE A 28 11.858 -17.639 -4.985 1.00 0.00 N ATOM 443 CA PHE A 28 11.541 -18.748 -5.878 1.00 0.00 C ATOM 444 C PHE A 28 12.716 -19.716 -5.981 1.00 0.00 C ATOM 445 O PHE A 28 13.864 -19.345 -5.733 1.00 0.00 O ATOM 446 CB PHE A 28 11.176 -18.222 -7.268 1.00 0.00 C ATOM 447 CG PHE A 28 12.328 -17.581 -7.988 1.00 0.00 C ATOM 448 CD1 PHE A 28 13.186 -18.342 -8.766 1.00 0.00 C ATOM 449 CD2 PHE A 28 12.553 -16.218 -7.888 1.00 0.00 C ATOM 450 CE1 PHE A 28 14.247 -17.755 -9.429 1.00 0.00 C ATOM 451 CE2 PHE A 28 13.612 -15.625 -8.549 1.00 0.00 C ATOM 452 CZ PHE A 28 14.460 -16.394 -9.321 1.00 0.00 C ATOM 0 H PHE A 28 12.740 -17.170 -5.192 1.00 0.00 H new ATOM 0 HA PHE A 28 10.687 -19.284 -5.463 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.794 -19.046 -7.871 1.00 0.00 H new ATOM 0 HB3 PHE A 28 10.368 -17.496 -7.173 1.00 0.00 H new ATOM 0 HD1 PHE A 28 13.024 -19.406 -8.855 1.00 0.00 H new ATOM 0 HD2 PHE A 28 11.893 -15.611 -7.286 1.00 0.00 H new ATOM 0 HE1 PHE A 28 14.909 -18.360 -10.031 1.00 0.00 H new ATOM 0 HE2 PHE A 28 13.776 -14.561 -8.462 1.00 0.00 H new ATOM 0 HZ PHE A 28 15.288 -15.933 -9.839 1.00 0.00 H new ATOM 462 N TYR A 29 12.421 -20.958 -6.347 1.00 0.00 N ATOM 463 CA TYR A 29 13.451 -21.982 -6.479 1.00 0.00 C ATOM 464 C TYR A 29 13.357 -22.677 -7.834 1.00 0.00 C ATOM 465 O TYR A 29 12.303 -23.192 -8.208 1.00 0.00 O ATOM 466 CB TYR A 29 13.324 -23.011 -5.355 1.00 0.00 C ATOM 467 CG TYR A 29 14.645 -23.614 -4.934 1.00 0.00 C ATOM 468 CD1 TYR A 29 15.242 -24.621 -5.683 1.00 0.00 C ATOM 469 CD2 TYR A 29 15.297 -23.177 -3.788 1.00 0.00 C ATOM 470 CE1 TYR A 29 16.448 -25.175 -5.302 1.00 0.00 C ATOM 471 CE2 TYR A 29 16.505 -23.724 -3.400 1.00 0.00 C ATOM 472 CZ TYR A 29 17.076 -24.723 -4.160 1.00 0.00 C ATOM 473 OH TYR A 29 18.279 -25.272 -3.778 1.00 0.00 O ATOM 0 H TYR A 29 11.477 -21.281 -6.558 1.00 0.00 H new ATOM 0 HA TYR A 29 14.423 -21.495 -6.408 1.00 0.00 H new ATOM 0 HB2 TYR A 29 12.859 -22.537 -4.491 1.00 0.00 H new ATOM 0 HB3 TYR A 29 12.656 -23.810 -5.679 1.00 0.00 H new ATOM 0 HD1 TYR A 29 14.754 -24.976 -6.579 1.00 0.00 H new ATOM 0 HD2 TYR A 29 14.852 -22.396 -3.190 1.00 0.00 H new ATOM 0 HE1 TYR A 29 16.897 -25.958 -5.895 1.00 0.00 H new ATOM 0 HE2 TYR A 29 16.999 -23.371 -2.507 1.00 0.00 H new ATOM 0 HH TYR A 29 18.659 -25.780 -4.525 1.00 0.00 H new ATOM 483 N ASP A 30 14.467 -22.688 -8.564 1.00 0.00 N ATOM 484 CA ASP A 30 14.512 -23.321 -9.877 1.00 0.00 C ATOM 485 C ASP A 30 15.481 -24.500 -9.878 1.00 0.00 C ATOM 486 O ASP A 30 16.671 -24.340 -9.606 1.00 0.00 O ATOM 487 CB ASP A 30 14.924 -22.305 -10.943 1.00 0.00 C ATOM 488 CG ASP A 30 16.248 -21.636 -10.624 1.00 0.00 C ATOM 489 OD1 ASP A 30 16.315 -20.905 -9.614 1.00 0.00 O ATOM 490 OD2 ASP A 30 17.215 -21.846 -11.385 1.00 0.00 O ATOM 0 H ASP A 30 15.347 -22.266 -8.269 1.00 0.00 H new ATOM 0 HA ASP A 30 13.514 -23.693 -10.108 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.996 -22.805 -11.909 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.149 -21.544 -11.035 1.00 0.00 H new ATOM 495 N LYS A 31 14.963 -25.684 -10.186 1.00 0.00 N ATOM 496 CA LYS A 31 15.781 -26.891 -10.224 1.00 0.00 C ATOM 497 C LYS A 31 15.210 -27.904 -11.210 1.00 0.00 C ATOM 498 O LYS A 31 14.221 -28.576 -10.921 1.00 0.00 O ATOM 499 CB LYS A 31 15.870 -27.515 -8.829 1.00 0.00 C ATOM 500 CG LYS A 31 17.291 -27.825 -8.392 1.00 0.00 C ATOM 501 CD LYS A 31 17.730 -29.203 -8.858 1.00 0.00 C ATOM 502 CE LYS A 31 18.642 -29.116 -10.072 1.00 0.00 C ATOM 503 NZ LYS A 31 20.077 -29.028 -9.683 1.00 0.00 N ATOM 0 H LYS A 31 13.980 -25.834 -10.413 1.00 0.00 H new ATOM 0 HA LYS A 31 16.781 -26.612 -10.555 1.00 0.00 H new ATOM 0 HB2 LYS A 31 15.416 -26.836 -8.107 1.00 0.00 H new ATOM 0 HB3 LYS A 31 15.285 -28.435 -8.813 1.00 0.00 H new ATOM 0 HG2 LYS A 31 17.969 -27.071 -8.793 1.00 0.00 H new ATOM 0 HG3 LYS A 31 17.359 -27.769 -7.306 1.00 0.00 H new ATOM 0 HD2 LYS A 31 18.249 -29.714 -8.047 1.00 0.00 H new ATOM 0 HD3 LYS A 31 16.853 -29.802 -9.103 1.00 0.00 H new ATOM 0 HE2 LYS A 31 18.490 -29.991 -10.704 1.00 0.00 H new ATOM 0 HE3 LYS A 31 18.373 -28.243 -10.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 20.666 -28.970 -10.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 20.228 -28.179 -9.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 20.341 -29.873 -9.137 1.00 0.00 H new ATOM 574 N TRP A 36 10.186 -25.773 -10.047 1.00 0.00 N ATOM 575 CA TRP A 36 9.972 -24.334 -10.150 1.00 0.00 C ATOM 576 C TRP A 36 8.873 -23.877 -9.197 1.00 0.00 C ATOM 577 O TRP A 36 7.692 -24.132 -9.429 1.00 0.00 O ATOM 578 CB TRP A 36 9.609 -23.952 -11.586 1.00 0.00 C ATOM 579 CG TRP A 36 9.762 -22.489 -11.869 1.00 0.00 C ATOM 580 CD1 TRP A 36 8.836 -21.510 -11.647 1.00 0.00 C ATOM 581 CD2 TRP A 36 10.909 -21.839 -12.428 1.00 0.00 C ATOM 582 NE1 TRP A 36 9.338 -20.291 -12.035 1.00 0.00 N ATOM 583 CE2 TRP A 36 10.609 -20.466 -12.516 1.00 0.00 C ATOM 584 CE3 TRP A 36 12.161 -22.284 -12.860 1.00 0.00 C ATOM 585 CZ2 TRP A 36 11.515 -19.537 -13.020 1.00 0.00 C ATOM 586 CZ3 TRP A 36 13.060 -21.361 -13.361 1.00 0.00 C ATOM 587 CH2 TRP A 36 12.734 -20.000 -13.437 1.00 0.00 C ATOM 0 HA TRP A 36 10.900 -23.834 -9.872 1.00 0.00 H new ATOM 0 HB2 TRP A 36 10.239 -24.515 -12.274 1.00 0.00 H new ATOM 0 HB3 TRP A 36 8.578 -24.247 -11.783 1.00 0.00 H new ATOM 0 HD1 TRP A 36 7.854 -21.670 -11.228 1.00 0.00 H new ATOM 0 HE1 TRP A 36 8.844 -19.400 -11.975 1.00 0.00 H new ATOM 0 HE3 TRP A 36 12.422 -23.331 -12.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 11.265 -18.488 -13.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 14.030 -21.694 -13.700 1.00 0.00 H new ATOM 0 HH2 TRP A 36 13.458 -19.303 -13.832 1.00 0.00 H new ATOM 598 N ARG A 37 9.270 -23.202 -8.123 1.00 0.00 N ATOM 599 CA ARG A 37 8.318 -22.711 -7.134 1.00 0.00 C ATOM 600 C ARG A 37 8.608 -21.257 -6.775 1.00 0.00 C ATOM 601 O ARG A 37 9.742 -20.793 -6.891 1.00 0.00 O ATOM 602 CB ARG A 37 8.366 -23.578 -5.875 1.00 0.00 C ATOM 603 CG ARG A 37 9.757 -23.706 -5.276 1.00 0.00 C ATOM 604 CD ARG A 37 9.750 -24.580 -4.032 1.00 0.00 C ATOM 605 NE ARG A 37 9.074 -23.931 -2.911 1.00 0.00 N ATOM 606 CZ ARG A 37 8.858 -24.522 -1.741 1.00 0.00 C ATOM 607 NH1 ARG A 37 9.264 -25.768 -1.539 1.00 0.00 N ATOM 608 NH2 ARG A 37 8.236 -23.866 -0.770 1.00 0.00 N ATOM 0 H ARG A 37 10.244 -22.983 -7.916 1.00 0.00 H new ATOM 0 HA ARG A 37 7.320 -22.767 -7.568 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.695 -23.155 -5.127 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.990 -24.573 -6.115 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.435 -24.130 -6.016 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.138 -22.716 -5.024 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.255 -25.525 -4.256 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.776 -24.816 -3.749 1.00 0.00 H new ATOM 0 HE ARG A 37 8.750 -22.972 -3.033 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.743 -26.275 -2.283 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.097 -26.219 -0.640 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.923 -22.907 -0.921 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.071 -24.321 0.128 1.00 0.00 H new ATOM 622 N ALA A 38 7.576 -20.543 -6.339 1.00 0.00 N ATOM 623 CA ALA A 38 7.720 -19.142 -5.961 1.00 0.00 C ATOM 624 C ALA A 38 6.721 -18.761 -4.874 1.00 0.00 C ATOM 625 O ALA A 38 5.610 -19.288 -4.828 1.00 0.00 O ATOM 626 CB ALA A 38 7.546 -18.247 -7.179 1.00 0.00 C ATOM 0 H ALA A 38 6.630 -20.912 -6.239 1.00 0.00 H new ATOM 0 HA ALA A 38 8.724 -19.000 -5.560 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.656 -17.204 -6.883 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.303 -18.494 -7.923 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.554 -18.401 -7.605 1.00 0.00 H new ATOM 632 N GLN A 39 7.125 -17.842 -4.002 1.00 0.00 N ATOM 633 CA GLN A 39 6.264 -17.392 -2.915 1.00 0.00 C ATOM 634 C GLN A 39 6.507 -15.920 -2.601 1.00 0.00 C ATOM 635 O GLN A 39 7.611 -15.531 -2.219 1.00 0.00 O ATOM 636 CB GLN A 39 6.503 -18.239 -1.663 1.00 0.00 C ATOM 637 CG GLN A 39 5.238 -18.522 -0.869 1.00 0.00 C ATOM 638 CD GLN A 39 5.326 -19.807 -0.069 1.00 0.00 C ATOM 639 OE1 GLN A 39 6.416 -20.258 0.284 1.00 0.00 O ATOM 640 NE2 GLN A 39 4.176 -20.404 0.221 1.00 0.00 N ATOM 0 H GLN A 39 8.042 -17.395 -4.027 1.00 0.00 H new ATOM 0 HA GLN A 39 5.228 -17.510 -3.233 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.957 -19.185 -1.956 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.219 -17.727 -1.020 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.045 -17.690 -0.192 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.391 -18.581 -1.552 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.296 -19.995 -0.092 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.173 -21.272 0.757 1.00 0.00 H new ATOM 649 N ARG A 40 5.470 -15.105 -2.766 1.00 0.00 N ATOM 650 CA ARG A 40 5.572 -13.675 -2.502 1.00 0.00 C ATOM 651 C ARG A 40 4.835 -13.305 -1.218 1.00 0.00 C ATOM 652 O ARG A 40 3.971 -14.046 -0.751 1.00 0.00 O ATOM 653 CB ARG A 40 5.005 -12.876 -3.677 1.00 0.00 C ATOM 654 CG ARG A 40 5.250 -11.380 -3.571 1.00 0.00 C ATOM 655 CD ARG A 40 5.482 -10.756 -4.938 1.00 0.00 C ATOM 656 NE ARG A 40 6.902 -10.547 -5.211 1.00 0.00 N ATOM 657 CZ ARG A 40 7.410 -10.463 -6.436 1.00 0.00 C ATOM 658 NH1 ARG A 40 6.618 -10.568 -7.494 1.00 0.00 N ATOM 659 NH2 ARG A 40 8.712 -10.272 -6.603 1.00 0.00 N ATOM 0 H ARG A 40 4.549 -15.411 -3.081 1.00 0.00 H new ATOM 0 HA ARG A 40 6.627 -13.428 -2.379 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.448 -13.243 -4.603 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.932 -13.056 -3.744 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.395 -10.903 -3.092 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.115 -11.196 -2.934 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.056 -11.400 -5.707 1.00 0.00 H new ATOM 0 HD3 ARG A 40 4.958 -9.802 -4.995 1.00 0.00 H new ATOM 0 HE ARG A 40 7.538 -10.461 -4.418 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.616 -10.714 -7.369 1.00 0.00 H new ATOM 0 HH12 ARG A 40 7.010 -10.503 -8.433 1.00 0.00 H new ATOM 0 HH21 ARG A 40 9.324 -10.190 -5.791 1.00 0.00 H new ATOM 0 HH22 ARG A 40 9.102 -10.208 -7.543 1.00 0.00 H new ATOM 673 N GLY A 41 5.184 -12.154 -0.652 1.00 0.00 N ATOM 674 CA GLY A 41 4.546 -11.706 0.572 1.00 0.00 C ATOM 675 C GLY A 41 5.104 -10.386 1.067 1.00 0.00 C ATOM 676 O GLY A 41 6.294 -10.109 0.914 1.00 0.00 O ATOM 0 H GLY A 41 5.897 -11.524 -1.019 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.474 -11.603 0.403 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.676 -12.464 1.344 1.00 0.00 H new ATOM 680 N CYS A 42 4.242 -9.567 1.661 1.00 0.00 N ATOM 681 CA CYS A 42 4.654 -8.267 2.178 1.00 0.00 C ATOM 682 C CYS A 42 5.453 -8.424 3.468 1.00 0.00 C ATOM 683 O CYS A 42 5.302 -9.410 4.188 1.00 0.00 O ATOM 684 CB CYS A 42 3.430 -7.383 2.427 1.00 0.00 C ATOM 685 SG CYS A 42 2.341 -7.196 0.978 1.00 0.00 S ATOM 0 H CYS A 42 3.254 -9.781 1.796 1.00 0.00 H new ATOM 0 HA CYS A 42 5.291 -7.792 1.432 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.853 -7.804 3.250 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.766 -6.396 2.745 1.00 0.00 H new ATOM 690 N ALA A 43 6.303 -7.443 3.753 1.00 0.00 N ATOM 691 CA ALA A 43 7.125 -7.470 4.957 1.00 0.00 C ATOM 692 C ALA A 43 7.633 -6.076 5.306 1.00 0.00 C ATOM 693 O ALA A 43 7.252 -5.089 4.677 1.00 0.00 O ATOM 694 CB ALA A 43 8.291 -8.430 4.779 1.00 0.00 C ATOM 0 H ALA A 43 6.440 -6.620 3.167 1.00 0.00 H new ATOM 0 HA ALA A 43 6.505 -7.819 5.783 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.896 -8.440 5.686 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.910 -9.433 4.586 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.904 -8.106 3.938 1.00 0.00 H new ATOM 700 N VAL A 44 8.496 -6.001 6.315 1.00 0.00 N ATOM 701 CA VAL A 44 9.058 -4.726 6.747 1.00 0.00 C ATOM 702 C VAL A 44 10.582 -4.764 6.734 1.00 0.00 C ATOM 703 O VAL A 44 11.240 -3.797 7.115 1.00 0.00 O ATOM 704 CB VAL A 44 8.576 -4.353 8.162 1.00 0.00 C ATOM 705 CG1 VAL A 44 8.844 -2.883 8.446 1.00 0.00 C ATOM 706 CG2 VAL A 44 7.098 -4.675 8.324 1.00 0.00 C ATOM 0 H VAL A 44 8.821 -6.808 6.848 1.00 0.00 H new ATOM 0 HA VAL A 44 8.711 -3.971 6.041 1.00 0.00 H new ATOM 0 HB VAL A 44 9.135 -4.947 8.886 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.497 -2.637 9.450 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.914 -2.688 8.374 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.313 -2.269 7.718 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.775 -4.405 9.329 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.520 -4.109 7.593 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.939 -5.742 8.166 1.00 0.00 H new ATOM 716 N SER A 45 11.136 -5.889 6.293 1.00 0.00 N ATOM 717 CA SER A 45 12.584 -6.055 6.233 1.00 0.00 C ATOM 718 C SER A 45 12.984 -6.904 5.030 1.00 0.00 C ATOM 719 O SER A 45 12.175 -7.663 4.494 1.00 0.00 O ATOM 720 CB SER A 45 13.098 -6.700 7.521 1.00 0.00 C ATOM 721 OG SER A 45 12.423 -6.183 8.655 1.00 0.00 O ATOM 0 H SER A 45 10.605 -6.698 5.972 1.00 0.00 H new ATOM 0 HA SER A 45 13.034 -5.068 6.125 1.00 0.00 H new ATOM 0 HB2 SER A 45 12.958 -7.780 7.472 1.00 0.00 H new ATOM 0 HB3 SER A 45 14.169 -6.521 7.619 1.00 0.00 H new ATOM 0 HG SER A 45 12.769 -6.612 9.465 1.00 0.00 H new ATOM 727 N CYS A 46 14.238 -6.771 4.611 1.00 0.00 N ATOM 728 CA CYS A 46 14.748 -7.525 3.472 1.00 0.00 C ATOM 729 C CYS A 46 15.779 -8.557 3.920 1.00 0.00 C ATOM 730 O CYS A 46 16.988 -8.337 3.843 1.00 0.00 O ATOM 731 CB CYS A 46 15.371 -6.577 2.445 1.00 0.00 C ATOM 732 SG CYS A 46 15.681 -7.342 0.821 1.00 0.00 S ATOM 0 H CYS A 46 14.920 -6.148 5.043 1.00 0.00 H new ATOM 0 HA CYS A 46 13.911 -8.050 3.011 1.00 0.00 H new ATOM 0 HB2 CYS A 46 14.712 -5.719 2.311 1.00 0.00 H new ATOM 0 HB3 CYS A 46 16.312 -6.197 2.841 1.00 0.00 H new ATOM 737 N PRO A 47 15.291 -9.710 4.400 1.00 0.00 N ATOM 738 CA PRO A 47 16.153 -10.800 4.869 1.00 0.00 C ATOM 739 C PRO A 47 16.903 -11.478 3.728 1.00 0.00 C ATOM 740 O PRO A 47 16.915 -10.986 2.600 1.00 0.00 O ATOM 741 CB PRO A 47 15.168 -11.776 5.517 1.00 0.00 C ATOM 742 CG PRO A 47 13.869 -11.510 4.839 1.00 0.00 C ATOM 743 CD PRO A 47 13.861 -10.041 4.521 1.00 0.00 C ATOM 0 HA PRO A 47 16.929 -10.444 5.546 1.00 0.00 H new ATOM 0 HB2 PRO A 47 15.484 -12.810 5.375 1.00 0.00 H new ATOM 0 HB3 PRO A 47 15.095 -11.609 6.592 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.773 -12.106 3.932 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.031 -11.774 5.484 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.321 -9.833 3.597 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.380 -9.462 5.309 1.00 0.00 H new ATOM 751 N LYS A 48 17.529 -12.611 4.029 1.00 0.00 N ATOM 752 CA LYS A 48 18.280 -13.359 3.028 1.00 0.00 C ATOM 753 C LYS A 48 17.781 -14.797 2.935 1.00 0.00 C ATOM 754 O LYS A 48 16.802 -15.167 3.582 1.00 0.00 O ATOM 755 CB LYS A 48 19.773 -13.347 3.367 1.00 0.00 C ATOM 756 CG LYS A 48 20.070 -13.699 4.814 1.00 0.00 C ATOM 757 CD LYS A 48 19.957 -15.195 5.059 1.00 0.00 C ATOM 758 CE LYS A 48 20.785 -15.628 6.258 1.00 0.00 C ATOM 759 NZ LYS A 48 20.669 -17.090 6.514 1.00 0.00 N ATOM 0 H LYS A 48 17.531 -13.031 4.958 1.00 0.00 H new ATOM 0 HA LYS A 48 18.129 -12.878 2.062 1.00 0.00 H new ATOM 0 HB2 LYS A 48 20.291 -14.052 2.717 1.00 0.00 H new ATOM 0 HB3 LYS A 48 20.178 -12.358 3.152 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.074 -13.362 5.073 1.00 0.00 H new ATOM 0 HG3 LYS A 48 19.377 -13.169 5.468 1.00 0.00 H new ATOM 0 HD2 LYS A 48 18.912 -15.460 5.222 1.00 0.00 H new ATOM 0 HD3 LYS A 48 20.288 -15.736 4.173 1.00 0.00 H new ATOM 0 HE2 LYS A 48 21.831 -15.371 6.089 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.460 -15.078 7.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 21.248 -17.345 7.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.675 -17.332 6.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 21.003 -17.616 5.681 1.00 0.00 H new ATOM 773 N ALA A 49 18.461 -15.604 2.127 1.00 0.00 N ATOM 774 CA ALA A 49 18.088 -17.002 1.953 1.00 0.00 C ATOM 775 C ALA A 49 19.279 -17.835 1.490 1.00 0.00 C ATOM 776 O ALA A 49 20.404 -17.340 1.416 1.00 0.00 O ATOM 777 CB ALA A 49 16.940 -17.123 0.961 1.00 0.00 C ATOM 0 H ALA A 49 19.273 -15.313 1.583 1.00 0.00 H new ATOM 0 HA ALA A 49 17.762 -17.388 2.919 1.00 0.00 H new ATOM 0 HB1 ALA A 49 16.672 -18.173 0.841 1.00 0.00 H new ATOM 0 HB2 ALA A 49 16.078 -16.569 1.333 1.00 0.00 H new ATOM 0 HB3 ALA A 49 17.247 -16.714 -0.002 1.00 0.00 H new ATOM 783 N LYS A 50 19.024 -19.101 1.179 1.00 0.00 N ATOM 784 CA LYS A 50 20.075 -20.003 0.722 1.00 0.00 C ATOM 785 C LYS A 50 20.699 -19.500 -0.576 1.00 0.00 C ATOM 786 O LYS A 50 20.076 -18.773 -1.351 1.00 0.00 O ATOM 787 CB LYS A 50 19.513 -21.412 0.517 1.00 0.00 C ATOM 788 CG LYS A 50 18.995 -22.051 1.794 1.00 0.00 C ATOM 789 CD LYS A 50 20.128 -22.612 2.636 1.00 0.00 C ATOM 790 CE LYS A 50 20.623 -23.943 2.089 1.00 0.00 C ATOM 791 NZ LYS A 50 22.028 -24.222 2.496 1.00 0.00 N ATOM 0 H LYS A 50 18.098 -19.526 1.235 1.00 0.00 H new ATOM 0 HA LYS A 50 20.850 -20.035 1.488 1.00 0.00 H new ATOM 0 HB2 LYS A 50 18.704 -21.369 -0.212 1.00 0.00 H new ATOM 0 HB3 LYS A 50 20.291 -22.046 0.093 1.00 0.00 H new ATOM 0 HG2 LYS A 50 18.442 -21.312 2.373 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.296 -22.849 1.545 1.00 0.00 H new ATOM 0 HD2 LYS A 50 20.952 -21.899 2.661 1.00 0.00 H new ATOM 0 HD3 LYS A 50 19.789 -22.743 3.663 1.00 0.00 H new ATOM 0 HE2 LYS A 50 19.976 -24.745 2.444 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.554 -23.937 1.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 22.328 -25.137 2.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 22.650 -23.470 2.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 22.089 -24.254 3.534 1.00 0.00 H new ATOM 805 N PRO A 51 21.957 -19.894 -0.821 1.00 0.00 N ATOM 806 CA PRO A 51 22.691 -19.495 -2.025 1.00 0.00 C ATOM 807 C PRO A 51 22.136 -20.151 -3.285 1.00 0.00 C ATOM 808 O PRO A 51 22.450 -19.737 -4.401 1.00 0.00 O ATOM 809 CB PRO A 51 24.115 -19.984 -1.751 1.00 0.00 C ATOM 810 CG PRO A 51 23.951 -21.110 -0.789 1.00 0.00 C ATOM 811 CD PRO A 51 22.760 -20.759 0.059 1.00 0.00 C ATOM 0 HA PRO A 51 22.622 -18.423 -2.208 1.00 0.00 H new ATOM 0 HB2 PRO A 51 24.603 -20.315 -2.668 1.00 0.00 H new ATOM 0 HB3 PRO A 51 24.732 -19.190 -1.330 1.00 0.00 H new ATOM 0 HG2 PRO A 51 23.792 -22.052 -1.314 1.00 0.00 H new ATOM 0 HG3 PRO A 51 24.844 -21.233 -0.176 1.00 0.00 H new ATOM 0 HD2 PRO A 51 22.207 -21.648 0.362 1.00 0.00 H new ATOM 0 HD3 PRO A 51 23.055 -20.241 0.971 1.00 0.00 H new ATOM 819 N ASN A 52 21.310 -21.175 -3.099 1.00 0.00 N ATOM 820 CA ASN A 52 20.712 -21.888 -4.222 1.00 0.00 C ATOM 821 C ASN A 52 19.423 -21.208 -4.674 1.00 0.00 C ATOM 822 O ASN A 52 19.211 -20.988 -5.865 1.00 0.00 O ATOM 823 CB ASN A 52 20.427 -23.342 -3.837 1.00 0.00 C ATOM 824 CG ASN A 52 21.697 -24.149 -3.648 1.00 0.00 C ATOM 825 OD1 ASN A 52 22.306 -24.604 -4.616 1.00 0.00 O ATOM 826 ND2 ASN A 52 22.102 -24.330 -2.397 1.00 0.00 N ATOM 0 H ASN A 52 21.039 -21.530 -2.182 1.00 0.00 H new ATOM 0 HA ASN A 52 21.421 -21.871 -5.050 1.00 0.00 H new ATOM 0 HB2 ASN A 52 19.845 -23.364 -2.915 1.00 0.00 H new ATOM 0 HB3 ASN A 52 19.816 -23.807 -4.611 1.00 0.00 H new ATOM 0 HD21 ASN A 52 22.950 -24.865 -2.208 1.00 0.00 H new ATOM 0 HD22 ASN A 52 21.566 -23.934 -1.625 1.00 0.00 H new ATOM 833 N GLU A 53 18.566 -20.878 -3.712 1.00 0.00 N ATOM 834 CA GLU A 53 17.298 -20.224 -4.012 1.00 0.00 C ATOM 835 C GLU A 53 17.516 -18.761 -4.389 1.00 0.00 C ATOM 836 O GLU A 53 18.640 -18.260 -4.353 1.00 0.00 O ATOM 837 CB GLU A 53 16.355 -20.317 -2.810 1.00 0.00 C ATOM 838 CG GLU A 53 16.704 -19.356 -1.686 1.00 0.00 C ATOM 839 CD GLU A 53 16.051 -19.734 -0.371 1.00 0.00 C ATOM 840 OE1 GLU A 53 14.876 -19.364 -0.165 1.00 0.00 O ATOM 841 OE2 GLU A 53 16.713 -20.400 0.451 1.00 0.00 O ATOM 0 H GLU A 53 18.727 -21.053 -2.720 1.00 0.00 H new ATOM 0 HA GLU A 53 16.846 -20.736 -4.861 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.336 -20.119 -3.142 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.372 -21.336 -2.424 1.00 0.00 H new ATOM 0 HG2 GLU A 53 17.786 -19.332 -1.556 1.00 0.00 H new ATOM 0 HG3 GLU A 53 16.394 -18.349 -1.965 1.00 0.00 H new ATOM 848 N THR A 54 16.433 -18.082 -4.752 1.00 0.00 N ATOM 849 CA THR A 54 16.505 -16.678 -5.138 1.00 0.00 C ATOM 850 C THR A 54 15.472 -15.847 -4.384 1.00 0.00 C ATOM 851 O THR A 54 14.353 -16.299 -4.144 1.00 0.00 O ATOM 852 CB THR A 54 16.285 -16.500 -6.652 1.00 0.00 C ATOM 853 OG1 THR A 54 17.116 -17.411 -7.378 1.00 0.00 O ATOM 854 CG2 THR A 54 16.593 -15.073 -7.079 1.00 0.00 C ATOM 0 H THR A 54 15.495 -18.481 -4.787 1.00 0.00 H new ATOM 0 HA THR A 54 17.505 -16.330 -4.880 1.00 0.00 H new ATOM 0 HB THR A 54 15.238 -16.710 -6.872 1.00 0.00 H new ATOM 0 HG1 THR A 54 16.620 -17.767 -8.145 1.00 0.00 H new ATOM 0 HG21 THR A 54 16.431 -14.971 -8.152 1.00 0.00 H new ATOM 0 HG22 THR A 54 15.938 -14.384 -6.546 1.00 0.00 H new ATOM 0 HG23 THR A 54 17.632 -14.840 -6.846 1.00 0.00 H new ATOM 862 N VAL A 55 15.856 -14.630 -4.014 1.00 0.00 N ATOM 863 CA VAL A 55 14.962 -13.734 -3.289 1.00 0.00 C ATOM 864 C VAL A 55 14.966 -12.339 -3.902 1.00 0.00 C ATOM 865 O VAL A 55 15.990 -11.873 -4.402 1.00 0.00 O ATOM 866 CB VAL A 55 15.355 -13.631 -1.803 1.00 0.00 C ATOM 867 CG1 VAL A 55 14.398 -12.711 -1.061 1.00 0.00 C ATOM 868 CG2 VAL A 55 15.384 -15.011 -1.164 1.00 0.00 C ATOM 0 H VAL A 55 16.780 -14.241 -4.204 1.00 0.00 H new ATOM 0 HA VAL A 55 13.960 -14.157 -3.364 1.00 0.00 H new ATOM 0 HB VAL A 55 16.356 -13.204 -1.738 1.00 0.00 H new ATOM 0 HG11 VAL A 55 14.691 -12.650 -0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 55 14.431 -11.716 -1.505 1.00 0.00 H new ATOM 0 HG13 VAL A 55 13.385 -13.106 -1.132 1.00 0.00 H new ATOM 0 HG21 VAL A 55 15.663 -14.920 -0.114 1.00 0.00 H new ATOM 0 HG22 VAL A 55 14.397 -15.467 -1.239 1.00 0.00 H new ATOM 0 HG23 VAL A 55 16.113 -15.636 -1.681 1.00 0.00 H new ATOM 878 N GLN A 56 13.815 -11.676 -3.860 1.00 0.00 N ATOM 879 CA GLN A 56 13.686 -10.333 -4.412 1.00 0.00 C ATOM 880 C GLN A 56 12.754 -9.480 -3.558 1.00 0.00 C ATOM 881 O GLN A 56 11.601 -9.844 -3.326 1.00 0.00 O ATOM 882 CB GLN A 56 13.165 -10.397 -5.849 1.00 0.00 C ATOM 883 CG GLN A 56 13.772 -11.525 -6.667 1.00 0.00 C ATOM 884 CD GLN A 56 13.022 -12.833 -6.506 1.00 0.00 C ATOM 885 OE1 GLN A 56 11.821 -12.908 -6.766 1.00 0.00 O ATOM 886 NE2 GLN A 56 13.728 -13.871 -6.075 1.00 0.00 N ATOM 0 H GLN A 56 12.958 -12.047 -3.449 1.00 0.00 H new ATOM 0 HA GLN A 56 14.673 -9.871 -4.411 1.00 0.00 H new ATOM 0 HB2 GLN A 56 12.082 -10.516 -5.829 1.00 0.00 H new ATOM 0 HB3 GLN A 56 13.372 -9.448 -6.344 1.00 0.00 H new ATOM 0 HG2 GLN A 56 13.779 -11.242 -7.720 1.00 0.00 H new ATOM 0 HG3 GLN A 56 14.811 -11.667 -6.368 1.00 0.00 H new ATOM 0 HE21 GLN A 56 14.722 -13.763 -5.872 1.00 0.00 H new ATOM 0 HE22 GLN A 56 13.277 -14.777 -5.947 1.00 0.00 H new ATOM 895 N CYS A 57 13.260 -8.343 -3.093 1.00 0.00 N ATOM 896 CA CYS A 57 12.474 -7.438 -2.263 1.00 0.00 C ATOM 897 C CYS A 57 12.537 -6.012 -2.803 1.00 0.00 C ATOM 898 O CYS A 57 13.562 -5.582 -3.333 1.00 0.00 O ATOM 899 CB CYS A 57 12.977 -7.471 -0.819 1.00 0.00 C ATOM 900 SG CYS A 57 14.556 -6.600 -0.561 1.00 0.00 S ATOM 0 H CYS A 57 14.212 -8.026 -3.277 1.00 0.00 H new ATOM 0 HA CYS A 57 11.436 -7.771 -2.287 1.00 0.00 H new ATOM 0 HB2 CYS A 57 12.220 -7.028 -0.172 1.00 0.00 H new ATOM 0 HB3 CYS A 57 13.093 -8.510 -0.510 1.00 0.00 H new ATOM 905 N CYS A 58 11.434 -5.284 -2.665 1.00 0.00 N ATOM 906 CA CYS A 58 11.363 -3.907 -3.138 1.00 0.00 C ATOM 907 C CYS A 58 10.412 -3.083 -2.274 1.00 0.00 C ATOM 908 O CYS A 58 9.599 -3.633 -1.530 1.00 0.00 O ATOM 909 CB CYS A 58 10.903 -3.870 -4.597 1.00 0.00 C ATOM 910 SG CYS A 58 11.584 -2.479 -5.556 1.00 0.00 S ATOM 0 H CYS A 58 10.577 -5.625 -2.229 1.00 0.00 H new ATOM 0 HA CYS A 58 12.360 -3.473 -3.066 1.00 0.00 H new ATOM 0 HB2 CYS A 58 11.188 -4.805 -5.080 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.815 -3.817 -4.622 1.00 0.00 H new ATOM 915 N SER A 59 10.521 -1.763 -2.377 1.00 0.00 N ATOM 916 CA SER A 59 9.675 -0.863 -1.602 1.00 0.00 C ATOM 917 C SER A 59 9.196 0.305 -2.459 1.00 0.00 C ATOM 918 O SER A 59 9.008 1.417 -1.966 1.00 0.00 O ATOM 919 CB SER A 59 10.435 -0.337 -0.383 1.00 0.00 C ATOM 920 OG SER A 59 9.561 0.317 0.520 1.00 0.00 O ATOM 0 H SER A 59 11.187 -1.292 -2.990 1.00 0.00 H new ATOM 0 HA SER A 59 8.804 -1.425 -1.264 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.934 -1.164 0.123 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.213 0.355 -0.706 1.00 0.00 H new ATOM 0 HG SER A 59 9.046 1.000 0.041 1.00 0.00 H new ATOM 926 N THR A 60 8.999 0.043 -3.748 1.00 0.00 N ATOM 927 CA THR A 60 8.543 1.070 -4.676 1.00 0.00 C ATOM 928 C THR A 60 7.307 0.611 -5.440 1.00 0.00 C ATOM 929 O THR A 60 7.088 -0.587 -5.623 1.00 0.00 O ATOM 930 CB THR A 60 9.645 1.447 -5.683 1.00 0.00 C ATOM 931 OG1 THR A 60 10.711 0.493 -5.623 1.00 0.00 O ATOM 932 CG2 THR A 60 10.187 2.839 -5.396 1.00 0.00 C ATOM 0 H THR A 60 9.148 -0.872 -4.172 1.00 0.00 H new ATOM 0 HA THR A 60 8.292 1.947 -4.079 1.00 0.00 H new ATOM 0 HB THR A 60 9.210 1.443 -6.682 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.407 0.739 -6.268 1.00 0.00 H new ATOM 0 HG21 THR A 60 10.964 3.083 -6.120 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.379 3.567 -5.471 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.607 2.866 -4.390 1.00 0.00 H new ATOM 940 N ASP A 61 6.502 1.570 -5.885 1.00 0.00 N ATOM 941 CA ASP A 61 5.288 1.263 -6.632 1.00 0.00 C ATOM 942 C ASP A 61 5.624 0.754 -8.031 1.00 0.00 C ATOM 943 O ASP A 61 6.466 1.323 -8.725 1.00 0.00 O ATOM 944 CB ASP A 61 4.396 2.502 -6.728 1.00 0.00 C ATOM 945 CG ASP A 61 5.113 3.685 -7.350 1.00 0.00 C ATOM 946 OD1 ASP A 61 5.899 4.343 -6.637 1.00 0.00 O ATOM 947 OD2 ASP A 61 4.887 3.951 -8.549 1.00 0.00 O ATOM 0 H ASP A 61 6.668 2.566 -5.741 1.00 0.00 H new ATOM 0 HA ASP A 61 4.752 0.478 -6.098 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.512 2.265 -7.320 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.049 2.774 -5.731 1.00 0.00 H new ATOM 952 N LYS A 62 4.961 -0.323 -8.438 1.00 0.00 N ATOM 953 CA LYS A 62 5.188 -0.911 -9.753 1.00 0.00 C ATOM 954 C LYS A 62 6.631 -1.387 -9.894 1.00 0.00 C ATOM 955 O LYS A 62 7.136 -1.549 -11.005 1.00 0.00 O ATOM 956 CB LYS A 62 4.866 0.105 -10.851 1.00 0.00 C ATOM 957 CG LYS A 62 3.459 -0.026 -11.407 1.00 0.00 C ATOM 958 CD LYS A 62 2.419 0.472 -10.417 1.00 0.00 C ATOM 959 CE LYS A 62 1.205 1.051 -11.128 1.00 0.00 C ATOM 960 NZ LYS A 62 1.550 2.272 -11.908 1.00 0.00 N ATOM 0 H LYS A 62 4.261 -0.807 -7.875 1.00 0.00 H new ATOM 0 HA LYS A 62 4.528 -1.772 -9.858 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.998 1.111 -10.453 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.582 -0.013 -11.665 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.379 0.540 -12.335 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.259 -1.069 -11.652 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.107 -0.349 -9.772 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.862 1.232 -9.774 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.783 0.300 -11.796 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.436 1.294 -10.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.715 2.888 -11.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.319 2.783 -11.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.857 1.998 -12.863 1.00 0.00 H new ATOM 974 N CYS A 63 7.288 -1.611 -8.761 1.00 0.00 N ATOM 975 CA CYS A 63 8.672 -2.070 -8.758 1.00 0.00 C ATOM 976 C CYS A 63 8.741 -3.590 -8.641 1.00 0.00 C ATOM 977 O CYS A 63 9.400 -4.254 -9.439 1.00 0.00 O ATOM 978 CB CYS A 63 9.443 -1.423 -7.605 1.00 0.00 C ATOM 979 SG CYS A 63 11.093 -2.141 -7.319 1.00 0.00 S ATOM 0 H CYS A 63 6.884 -1.482 -7.833 1.00 0.00 H new ATOM 0 HA CYS A 63 9.129 -1.775 -9.703 1.00 0.00 H new ATOM 0 HB2 CYS A 63 9.552 -0.358 -7.808 1.00 0.00 H new ATOM 0 HB3 CYS A 63 8.855 -1.515 -6.692 1.00 0.00 H new ATOM 984 N ASN A 64 8.055 -4.132 -7.640 1.00 0.00 N ATOM 985 CA ASN A 64 8.038 -5.574 -7.418 1.00 0.00 C ATOM 986 C ASN A 64 7.708 -6.319 -8.708 1.00 0.00 C ATOM 987 O ASN A 64 6.583 -6.258 -9.203 1.00 0.00 O ATOM 988 CB ASN A 64 7.019 -5.932 -6.334 1.00 0.00 C ATOM 989 CG ASN A 64 7.509 -7.042 -5.425 1.00 0.00 C ATOM 990 OD1 ASN A 64 8.713 -7.259 -5.285 1.00 0.00 O ATOM 991 ND2 ASN A 64 6.576 -7.751 -4.801 1.00 0.00 N ATOM 0 H ASN A 64 7.504 -3.595 -6.970 1.00 0.00 H new ATOM 0 HA ASN A 64 9.031 -5.878 -7.088 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.801 -5.046 -5.737 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.084 -6.237 -6.804 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.846 -8.511 -4.176 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.590 -7.536 -4.947 1.00 0.00 H new ATOM 998 N LYS A 65 8.698 -7.022 -9.248 1.00 0.00 N ATOM 999 CA LYS A 65 8.514 -7.782 -10.479 1.00 0.00 C ATOM 1000 C LYS A 65 7.561 -8.952 -10.259 1.00 0.00 C ATOM 1001 O LYS A 65 7.441 -9.836 -11.108 1.00 0.00 O ATOM 1002 CB LYS A 65 9.861 -8.297 -10.991 1.00 0.00 C ATOM 1003 CG LYS A 65 9.899 -8.513 -12.494 1.00 0.00 C ATOM 1004 CD LYS A 65 10.421 -7.285 -13.221 1.00 0.00 C ATOM 1005 CE LYS A 65 11.089 -7.658 -14.535 1.00 0.00 C ATOM 1006 NZ LYS A 65 11.143 -6.505 -15.477 1.00 0.00 N ATOM 0 H LYS A 65 9.636 -7.081 -8.852 1.00 0.00 H new ATOM 0 HA LYS A 65 8.079 -7.117 -11.225 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.641 -7.587 -10.715 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.095 -9.237 -10.491 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.533 -9.370 -12.723 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.898 -8.752 -12.854 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.598 -6.597 -13.413 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.134 -6.760 -12.585 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.100 -8.015 -14.340 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.544 -8.481 -14.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.605 -6.800 -16.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.177 -6.180 -15.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.684 -5.729 -15.045 1.00 0.00 H new