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+ -110:sc= 0.0315 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0376 K(o=-0.038,f=-0.66) USER MOD Single : A 13 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0661) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0118 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+ 166:sc= -3.68! (180deg=-4.26!) USER MOD Single : A 29 TYR OH : rot 15:sc= -1.04 USER MOD Single : A 31 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0757) USER MOD Single : A 39 GLN : amide:sc=-0.00616 K(o=-0.0062,f=-1.3) 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= 0.441 X(o=0.44,f=-0.00092) USER MOD Single : A 59 SER OG : rot 58:sc= 0.0195 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.368 USER MOD Single : A 62 LYS NZ :NH3+ -154:sc= -0.0793 (180deg=-0.455) USER MOD Single : A 64 ASN : amide:sc= -4.69! C(o=-4.7!,f=-3.7!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.100 0.415 -0.629 1.00 0.00 N ATOM 2 CA LEU A 1 1.998 0.332 -1.775 1.00 0.00 C ATOM 3 C LEU A 1 1.495 -0.690 -2.789 1.00 0.00 C ATOM 4 O LEU A 1 0.863 -1.683 -2.425 1.00 0.00 O ATOM 5 CB LEU A 1 3.409 -0.039 -1.316 1.00 0.00 C ATOM 6 CG LEU A 1 4.480 -0.086 -2.407 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.711 1.300 -2.988 1.00 0.00 C ATOM 8 CD2 LEU A 1 5.777 -0.660 -1.857 1.00 0.00 C ATOM 0 H1 LEU A 1 0.601 1.328 -0.644 1.00 0.00 H new ATOM 0 H2 LEU A 1 0.407 -0.359 -0.674 1.00 0.00 H new ATOM 0 H3 LEU A 1 1.650 0.336 0.250 1.00 0.00 H new ATOM 0 HA LEU A 1 2.024 1.310 -2.256 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.723 0.678 -0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.367 -1.016 -0.834 1.00 0.00 H new ATOM 0 HG LEU A 1 4.129 -0.738 -3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 1 5.476 1.247 -3.763 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.782 1.673 -3.420 1.00 0.00 H new ATOM 0 HD13 LEU A 1 5.040 1.975 -2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 1 6.527 -0.686 -2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 1 6.133 -0.035 -1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 1 5.601 -1.671 -1.491 1.00 0.00 H new ATOM 20 N THR A 2 1.782 -0.443 -4.063 1.00 0.00 N ATOM 21 CA THR A 2 1.360 -1.343 -5.130 1.00 0.00 C ATOM 22 C THR A 2 2.514 -2.224 -5.594 1.00 0.00 C ATOM 23 O THR A 2 3.584 -1.729 -5.948 1.00 0.00 O ATOM 24 CB THR A 2 0.808 -0.562 -6.337 1.00 0.00 C ATOM 25 OG1 THR A 2 -0.197 0.362 -5.906 1.00 0.00 O ATOM 26 CG2 THR A 2 0.222 -1.510 -7.373 1.00 0.00 C ATOM 0 H THR A 2 2.305 0.373 -4.382 1.00 0.00 H new ATOM 0 HA THR A 2 0.569 -1.971 -4.720 1.00 0.00 H new ATOM 0 HB THR A 2 1.632 -0.014 -6.794 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.541 0.855 -6.680 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.162 -0.935 -8.216 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.997 -2.192 -7.722 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.590 -2.082 -6.924 1.00 0.00 H new ATOM 34 N CYS A 3 2.290 -3.534 -5.590 1.00 0.00 N ATOM 35 CA CYS A 3 3.310 -4.486 -6.010 1.00 0.00 C ATOM 36 C CYS A 3 2.696 -5.613 -6.836 1.00 0.00 C ATOM 37 O CYS A 3 1.561 -6.026 -6.595 1.00 0.00 O ATOM 38 CB CYS A 3 4.030 -5.067 -4.791 1.00 0.00 C ATOM 39 SG CYS A 3 4.591 -3.814 -3.593 1.00 0.00 S ATOM 0 H CYS A 3 1.410 -3.960 -5.300 1.00 0.00 H new ATOM 0 HA CYS A 3 4.032 -3.955 -6.631 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.362 -5.764 -4.286 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.892 -5.641 -5.131 1.00 0.00 H new ATOM 44 N LEU A 4 3.453 -6.106 -7.810 1.00 0.00 N ATOM 45 CA LEU A 4 2.984 -7.186 -8.672 1.00 0.00 C ATOM 46 C LEU A 4 3.298 -8.547 -8.059 1.00 0.00 C ATOM 47 O LEU A 4 4.426 -8.803 -7.636 1.00 0.00 O ATOM 48 CB LEU A 4 3.628 -7.076 -10.055 1.00 0.00 C ATOM 49 CG LEU A 4 3.426 -5.748 -10.786 1.00 0.00 C ATOM 50 CD1 LEU A 4 4.496 -4.747 -10.379 1.00 0.00 C ATOM 51 CD2 LEU A 4 3.437 -5.961 -12.293 1.00 0.00 C ATOM 0 H LEU A 4 4.394 -5.775 -8.023 1.00 0.00 H new ATOM 0 HA LEU A 4 1.903 -7.095 -8.773 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.699 -7.251 -9.950 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.234 -7.876 -10.682 1.00 0.00 H new ATOM 0 HG LEU A 4 2.454 -5.344 -10.504 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.336 -3.808 -10.909 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.440 -4.571 -9.305 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.480 -5.143 -10.631 1.00 0.00 H new ATOM 0 HD21 LEU A 4 3.292 -5.005 -12.797 1.00 0.00 H new ATOM 0 HD22 LEU A 4 4.394 -6.388 -12.593 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.633 -6.643 -12.570 1.00 0.00 H new ATOM 63 N ILE A 5 2.294 -9.416 -8.016 1.00 0.00 N ATOM 64 CA ILE A 5 2.464 -10.752 -7.458 1.00 0.00 C ATOM 65 C ILE A 5 1.893 -11.814 -8.391 1.00 0.00 C ATOM 66 O ILE A 5 0.818 -11.638 -8.966 1.00 0.00 O ATOM 67 CB ILE A 5 1.787 -10.877 -6.081 1.00 0.00 C ATOM 68 CG1 ILE A 5 1.406 -12.333 -5.806 1.00 0.00 C ATOM 69 CG2 ILE A 5 0.560 -9.980 -6.010 1.00 0.00 C ATOM 70 CD1 ILE A 5 0.886 -12.568 -4.405 1.00 0.00 C ATOM 0 H ILE A 5 1.354 -9.219 -8.361 1.00 0.00 H new ATOM 0 HA ILE A 5 3.536 -10.912 -7.342 1.00 0.00 H new ATOM 0 HB ILE A 5 2.493 -10.555 -5.315 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.646 -12.643 -6.523 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.278 -12.966 -5.972 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.093 -10.080 -5.030 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.858 -8.943 -6.166 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.151 -10.274 -6.783 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.636 -13.622 -4.282 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.652 -12.290 -3.681 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.005 -11.962 -4.241 1.00 0.00 H new ATOM 82 N CYS A 6 2.618 -12.918 -8.536 1.00 0.00 N ATOM 83 CA CYS A 6 2.184 -14.011 -9.398 1.00 0.00 C ATOM 84 C CYS A 6 3.279 -15.064 -9.535 1.00 0.00 C ATOM 85 O CYS A 6 4.423 -14.766 -9.879 1.00 0.00 O ATOM 86 CB CYS A 6 1.800 -13.477 -10.780 1.00 0.00 C ATOM 87 SG CYS A 6 1.676 -14.762 -12.065 1.00 0.00 S ATOM 0 H CYS A 6 3.509 -13.079 -8.067 1.00 0.00 H new ATOM 0 HA CYS A 6 1.312 -14.477 -8.940 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.844 -12.960 -10.705 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.539 -12.738 -11.090 1.00 0.00 H new ATOM 92 N PRO A 7 2.923 -16.328 -9.259 1.00 0.00 N ATOM 93 CA PRO A 7 3.861 -17.451 -9.344 1.00 0.00 C ATOM 94 C PRO A 7 4.251 -17.772 -10.783 1.00 0.00 C ATOM 95 O PRO A 7 5.427 -17.972 -11.086 1.00 0.00 O ATOM 96 CB PRO A 7 3.077 -18.615 -8.731 1.00 0.00 C ATOM 97 CG PRO A 7 1.646 -18.256 -8.934 1.00 0.00 C ATOM 98 CD PRO A 7 1.577 -16.757 -8.843 1.00 0.00 C ATOM 0 HA PRO A 7 4.801 -17.237 -8.835 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.322 -19.558 -9.220 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.309 -18.735 -7.673 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.290 -18.605 -9.904 1.00 0.00 H new ATOM 0 HG3 PRO A 7 1.016 -18.722 -8.177 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.806 -16.350 -9.497 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.345 -16.426 -7.831 1.00 0.00 H new ATOM 106 N GLU A 8 3.258 -17.819 -11.665 1.00 0.00 N ATOM 107 CA GLU A 8 3.500 -18.116 -13.072 1.00 0.00 C ATOM 108 C GLU A 8 4.532 -17.159 -13.660 1.00 0.00 C ATOM 109 O GLU A 8 4.490 -15.953 -13.414 1.00 0.00 O ATOM 110 CB GLU A 8 2.195 -18.027 -13.866 1.00 0.00 C ATOM 111 CG GLU A 8 1.153 -19.047 -13.442 1.00 0.00 C ATOM 112 CD GLU A 8 -0.266 -18.548 -13.636 1.00 0.00 C ATOM 113 OE1 GLU A 8 -0.473 -17.674 -14.503 1.00 0.00 O ATOM 114 OE2 GLU A 8 -1.168 -19.031 -12.920 1.00 0.00 O ATOM 0 H GLU A 8 2.279 -17.655 -11.430 1.00 0.00 H new ATOM 0 HA GLU A 8 3.891 -19.131 -13.141 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.778 -17.026 -13.753 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.414 -18.163 -14.925 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.293 -19.964 -14.015 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.304 -19.301 -12.393 1.00 0.00 H new ATOM 121 N LYS A 9 5.460 -17.705 -14.439 1.00 0.00 N ATOM 122 CA LYS A 9 6.505 -16.902 -15.064 1.00 0.00 C ATOM 123 C LYS A 9 5.909 -15.686 -15.766 1.00 0.00 C ATOM 124 O LYS A 9 5.944 -14.574 -15.239 1.00 0.00 O ATOM 125 CB LYS A 9 7.295 -17.747 -16.066 1.00 0.00 C ATOM 126 CG LYS A 9 8.458 -18.499 -15.443 1.00 0.00 C ATOM 127 CD LYS A 9 8.025 -19.856 -14.914 1.00 0.00 C ATOM 128 CE LYS A 9 7.930 -20.885 -16.030 1.00 0.00 C ATOM 129 NZ LYS A 9 6.625 -21.602 -16.014 1.00 0.00 N ATOM 0 H LYS A 9 5.510 -18.701 -14.653 1.00 0.00 H new ATOM 0 HA LYS A 9 7.179 -16.554 -14.281 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.621 -18.463 -16.536 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.674 -17.099 -16.856 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.246 -18.631 -16.184 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.881 -17.909 -14.630 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.736 -20.198 -14.162 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.058 -19.763 -14.420 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.061 -20.390 -16.992 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.742 -21.606 -15.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.600 -22.294 -16.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.511 -22.095 -15.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.851 -20.918 -16.136 1.00 0.00 H new ATOM 143 N ASP A 10 5.363 -15.905 -16.957 1.00 0.00 N ATOM 144 CA ASP A 10 4.757 -14.827 -17.730 1.00 0.00 C ATOM 145 C ASP A 10 3.400 -14.439 -17.151 1.00 0.00 C ATOM 146 O ASP A 10 2.356 -14.842 -17.663 1.00 0.00 O ATOM 147 CB ASP A 10 4.600 -15.246 -19.193 1.00 0.00 C ATOM 148 CG ASP A 10 5.565 -14.519 -20.109 1.00 0.00 C ATOM 149 OD1 ASP A 10 5.233 -13.399 -20.551 1.00 0.00 O ATOM 150 OD2 ASP A 10 6.651 -15.071 -20.386 1.00 0.00 O ATOM 0 H ASP A 10 5.328 -16.819 -17.408 1.00 0.00 H new ATOM 0 HA ASP A 10 5.416 -13.960 -17.677 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.761 -16.321 -19.280 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.578 -15.049 -19.517 1.00 0.00 H new ATOM 155 N CYS A 11 3.423 -13.653 -16.079 1.00 0.00 N ATOM 156 CA CYS A 11 2.196 -13.211 -15.428 1.00 0.00 C ATOM 157 C CYS A 11 2.507 -12.334 -14.219 1.00 0.00 C ATOM 158 O CYS A 11 3.425 -12.621 -13.452 1.00 0.00 O ATOM 159 CB CYS A 11 1.360 -14.417 -14.995 1.00 0.00 C ATOM 160 SG CYS A 11 0.331 -14.119 -13.522 1.00 0.00 S ATOM 0 H CYS A 11 4.279 -13.309 -15.643 1.00 0.00 H new ATOM 0 HA CYS A 11 1.626 -12.621 -16.146 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.715 -14.714 -15.822 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.028 -15.255 -14.795 1.00 0.00 H new ATOM 165 N GLN A 12 1.735 -11.264 -14.057 1.00 0.00 N ATOM 166 CA GLN A 12 1.929 -10.344 -12.942 1.00 0.00 C ATOM 167 C GLN A 12 0.597 -9.766 -12.476 1.00 0.00 C ATOM 168 O GLN A 12 0.018 -8.903 -13.136 1.00 0.00 O ATOM 169 CB GLN A 12 2.877 -9.214 -13.345 1.00 0.00 C ATOM 170 CG GLN A 12 2.467 -8.502 -14.624 1.00 0.00 C ATOM 171 CD GLN A 12 3.585 -7.662 -15.209 1.00 0.00 C ATOM 172 OE1 GLN A 12 4.745 -8.077 -15.225 1.00 0.00 O ATOM 173 NE2 GLN A 12 3.243 -6.475 -15.694 1.00 0.00 N ATOM 0 H GLN A 12 0.970 -11.013 -14.683 1.00 0.00 H new ATOM 0 HA GLN A 12 2.371 -10.901 -12.116 1.00 0.00 H new ATOM 0 HB2 GLN A 12 2.927 -8.487 -12.535 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.880 -9.621 -13.471 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.149 -9.240 -15.360 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.607 -7.864 -14.420 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.270 -6.171 -15.660 1.00 0.00 H new ATOM 0 HE22 GLN A 12 3.953 -5.866 -16.101 1.00 0.00 H new ATOM 182 N LYS A 13 0.116 -10.247 -11.335 1.00 0.00 N ATOM 183 CA LYS A 13 -1.148 -9.777 -10.779 1.00 0.00 C ATOM 184 C LYS A 13 -0.913 -8.682 -9.743 1.00 0.00 C ATOM 185 O LYS A 13 -0.337 -8.930 -8.683 1.00 0.00 O ATOM 186 CB LYS A 13 -1.912 -10.940 -10.143 1.00 0.00 C ATOM 187 CG LYS A 13 -3.321 -11.111 -10.685 1.00 0.00 C ATOM 188 CD LYS A 13 -4.244 -10.007 -10.197 1.00 0.00 C ATOM 189 CE LYS A 13 -5.706 -10.364 -10.420 1.00 0.00 C ATOM 190 NZ LYS A 13 -6.182 -11.385 -9.446 1.00 0.00 N ATOM 0 H LYS A 13 0.582 -10.962 -10.777 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.742 -9.361 -11.593 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.355 -11.862 -10.306 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.963 -10.784 -9.065 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.295 -11.110 -11.775 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.715 -12.079 -10.377 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.070 -9.828 -9.136 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.011 -9.079 -10.719 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.317 -9.466 -10.332 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.837 -10.741 -11.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.215 -11.478 -9.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.737 -12.301 -9.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.927 -11.090 -8.482 1.00 0.00 H new ATOM 204 N VAL A 14 -1.364 -7.471 -10.056 1.00 0.00 N ATOM 205 CA VAL A 14 -1.205 -6.339 -9.151 1.00 0.00 C ATOM 206 C VAL A 14 -1.815 -6.637 -7.786 1.00 0.00 C ATOM 207 O VAL A 14 -2.833 -7.322 -7.685 1.00 0.00 O ATOM 208 CB VAL A 14 -1.855 -5.066 -9.725 1.00 0.00 C ATOM 209 CG1 VAL A 14 -1.308 -4.767 -11.112 1.00 0.00 C ATOM 210 CG2 VAL A 14 -3.369 -5.211 -9.759 1.00 0.00 C ATOM 0 H VAL A 14 -1.842 -7.249 -10.929 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.134 -6.172 -9.038 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.608 -4.227 -9.075 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.778 -3.864 -11.502 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.230 -4.618 -11.054 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.523 -5.604 -11.776 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.812 -4.303 -10.167 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.639 -6.060 -10.386 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.742 -5.374 -8.748 1.00 0.00 H new ATOM 220 N HIS A 15 -1.186 -6.117 -6.736 1.00 0.00 N ATOM 221 CA HIS A 15 -1.668 -6.326 -5.376 1.00 0.00 C ATOM 222 C HIS A 15 -1.156 -5.232 -4.444 1.00 0.00 C ATOM 223 O HIS A 15 0.048 -4.985 -4.360 1.00 0.00 O ATOM 224 CB HIS A 15 -1.228 -7.698 -4.861 1.00 0.00 C ATOM 225 CG HIS A 15 -1.684 -7.988 -3.464 1.00 0.00 C ATOM 226 ND1 HIS A 15 -0.813 -8.162 -2.410 1.00 0.00 N ATOM 227 CD2 HIS A 15 -2.928 -8.132 -2.951 1.00 0.00 C ATOM 228 CE1 HIS A 15 -1.501 -8.402 -1.308 1.00 0.00 C ATOM 229 NE2 HIS A 15 -2.787 -8.390 -1.609 1.00 0.00 N ATOM 0 H HIS A 15 -0.342 -5.548 -6.802 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.757 -6.285 -5.393 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -1.615 -8.468 -5.528 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.140 -7.760 -4.900 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.858 -8.058 -3.495 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -1.083 -8.578 -0.328 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.551 -8.547 -0.952 1.00 0.00 H new ATOM 237 N THR A 16 -2.077 -4.578 -3.744 1.00 0.00 N ATOM 238 CA THR A 16 -1.720 -3.509 -2.820 1.00 0.00 C ATOM 239 C THR A 16 -1.459 -4.056 -1.421 1.00 0.00 C ATOM 240 O THR A 16 -2.361 -4.591 -0.775 1.00 0.00 O ATOM 241 CB THR A 16 -2.825 -2.439 -2.743 1.00 0.00 C ATOM 242 OG1 THR A 16 -3.753 -2.616 -3.820 1.00 0.00 O ATOM 243 CG2 THR A 16 -2.230 -1.041 -2.805 1.00 0.00 C ATOM 0 H THR A 16 -3.077 -4.770 -3.800 1.00 0.00 H new ATOM 0 HA THR A 16 -0.809 -3.051 -3.204 1.00 0.00 H new ATOM 0 HB THR A 16 -3.345 -2.553 -1.792 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.454 -1.933 -3.764 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.030 -0.302 -2.749 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.546 -0.899 -1.968 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.687 -0.918 -3.742 1.00 0.00 H new ATOM 251 N CYS A 17 -0.222 -3.917 -0.958 1.00 0.00 N ATOM 252 CA CYS A 17 0.158 -4.397 0.366 1.00 0.00 C ATOM 253 C CYS A 17 -0.387 -3.478 1.455 1.00 0.00 C ATOM 254 O CYS A 17 0.339 -2.648 2.002 1.00 0.00 O ATOM 255 CB CYS A 17 1.681 -4.493 0.479 1.00 0.00 C ATOM 256 SG CYS A 17 2.388 -5.997 -0.267 1.00 0.00 S ATOM 0 H CYS A 17 0.535 -3.476 -1.480 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.273 -5.389 0.503 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.126 -3.620 0.002 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.960 -4.457 1.532 1.00 0.00 H new ATOM 261 N ARG A 18 -1.671 -3.632 1.764 1.00 0.00 N ATOM 262 CA ARG A 18 -2.314 -2.815 2.786 1.00 0.00 C ATOM 263 C ARG A 18 -2.273 -3.512 4.143 1.00 0.00 C ATOM 264 O ARG A 18 -3.031 -3.171 5.050 1.00 0.00 O ATOM 265 CB ARG A 18 -3.763 -2.520 2.396 1.00 0.00 C ATOM 266 CG ARG A 18 -3.918 -1.998 0.977 1.00 0.00 C ATOM 267 CD ARG A 18 -5.363 -1.639 0.670 1.00 0.00 C ATOM 268 NE ARG A 18 -5.852 -0.561 1.526 1.00 0.00 N ATOM 269 CZ ARG A 18 -7.134 -0.228 1.628 1.00 0.00 C ATOM 270 NH1 ARG A 18 -8.051 -0.887 0.932 1.00 0.00 N ATOM 271 NH2 ARG A 18 -7.501 0.765 2.428 1.00 0.00 N ATOM 0 H ARG A 18 -2.286 -4.315 1.321 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.767 -1.875 2.862 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.352 -3.430 2.505 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.175 -1.788 3.090 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.287 -1.120 0.840 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.572 -2.753 0.271 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.448 -1.340 -0.375 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.991 -2.520 0.801 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.172 -0.035 2.075 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.772 -1.651 0.317 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.035 -0.629 1.012 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.799 1.273 2.965 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.486 1.020 2.506 1.00 0.00 H new ATOM 285 N ASN A 19 -1.382 -4.490 4.274 1.00 0.00 N ATOM 286 CA ASN A 19 -1.243 -5.235 5.520 1.00 0.00 C ATOM 287 C ASN A 19 -0.276 -4.533 6.469 1.00 0.00 C ATOM 288 O ASN A 19 0.223 -3.449 6.171 1.00 0.00 O ATOM 289 CB ASN A 19 -0.755 -6.657 5.236 1.00 0.00 C ATOM 290 CG ASN A 19 -1.734 -7.446 4.389 1.00 0.00 C ATOM 291 OD1 ASN A 19 -2.884 -7.651 4.778 1.00 0.00 O ATOM 292 ND2 ASN A 19 -1.282 -7.893 3.223 1.00 0.00 N ATOM 0 H ASN A 19 -0.746 -4.785 3.533 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.222 -5.282 5.997 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.208 -6.613 4.727 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.593 -7.178 6.180 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.896 -8.430 2.610 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.321 -7.700 2.940 1.00 0.00 H new ATOM 299 N GLU A 20 -0.016 -5.161 7.611 1.00 0.00 N ATOM 300 CA GLU A 20 0.891 -4.596 8.603 1.00 0.00 C ATOM 301 C GLU A 20 2.257 -4.305 7.988 1.00 0.00 C ATOM 302 O GLU A 20 2.996 -3.448 8.471 1.00 0.00 O ATOM 303 CB GLU A 20 1.046 -5.552 9.788 1.00 0.00 C ATOM 304 CG GLU A 20 -0.051 -5.414 10.829 1.00 0.00 C ATOM 305 CD GLU A 20 0.341 -6.001 12.172 1.00 0.00 C ATOM 306 OE1 GLU A 20 0.555 -7.229 12.244 1.00 0.00 O ATOM 307 OE2 GLU A 20 0.434 -5.230 13.150 1.00 0.00 O ATOM 0 H GLU A 20 -0.420 -6.060 7.872 1.00 0.00 H new ATOM 0 HA GLU A 20 0.463 -3.658 8.956 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.057 -6.577 9.418 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.011 -5.374 10.263 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.296 -4.359 10.955 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.953 -5.910 10.469 1.00 0.00 H new ATOM 314 N GLU A 21 2.584 -5.026 6.920 1.00 0.00 N ATOM 315 CA GLU A 21 3.861 -4.846 6.240 1.00 0.00 C ATOM 316 C GLU A 21 3.873 -3.547 5.439 1.00 0.00 C ATOM 317 O GLU A 21 2.980 -2.711 5.577 1.00 0.00 O ATOM 318 CB GLU A 21 4.143 -6.031 5.314 1.00 0.00 C ATOM 319 CG GLU A 21 3.925 -7.383 5.973 1.00 0.00 C ATOM 320 CD GLU A 21 4.642 -7.507 7.303 1.00 0.00 C ATOM 321 OE1 GLU A 21 5.740 -6.926 7.440 1.00 0.00 O ATOM 322 OE2 GLU A 21 4.107 -8.183 8.206 1.00 0.00 O ATOM 0 H GLU A 21 1.983 -5.739 6.508 1.00 0.00 H new ATOM 0 HA GLU A 21 4.642 -4.793 6.998 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.501 -5.956 4.436 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.173 -5.969 4.962 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.857 -7.541 6.124 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.272 -8.170 5.303 1.00 0.00 H new ATOM 329 N LYS A 22 4.891 -3.385 4.601 1.00 0.00 N ATOM 330 CA LYS A 22 5.021 -2.190 3.776 1.00 0.00 C ATOM 331 C LYS A 22 5.660 -2.523 2.432 1.00 0.00 C ATOM 332 O LYS A 22 5.155 -2.130 1.380 1.00 0.00 O ATOM 333 CB LYS A 22 5.856 -1.133 4.502 1.00 0.00 C ATOM 334 CG LYS A 22 5.099 -0.410 5.603 1.00 0.00 C ATOM 335 CD LYS A 22 6.029 0.438 6.455 1.00 0.00 C ATOM 336 CE LYS A 22 6.415 1.727 5.745 1.00 0.00 C ATOM 337 NZ LYS A 22 7.671 2.308 6.296 1.00 0.00 N ATOM 0 H LYS A 22 5.639 -4.067 4.475 1.00 0.00 H new ATOM 0 HA LYS A 22 4.022 -1.794 3.595 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.737 -1.610 4.931 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.211 -0.401 3.776 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.330 0.224 5.161 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.589 -1.138 6.234 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.543 0.674 7.402 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.928 -0.131 6.692 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.542 1.531 4.680 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.606 2.451 5.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.901 3.185 5.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.542 2.518 7.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.448 1.627 6.181 1.00 0.00 H new ATOM 351 N ILE A 23 6.772 -3.249 2.474 1.00 0.00 N ATOM 352 CA ILE A 23 7.477 -3.637 1.259 1.00 0.00 C ATOM 353 C ILE A 23 6.964 -4.972 0.728 1.00 0.00 C ATOM 354 O ILE A 23 6.175 -5.651 1.384 1.00 0.00 O ATOM 355 CB ILE A 23 8.995 -3.742 1.498 1.00 0.00 C ATOM 356 CG1 ILE A 23 9.294 -4.801 2.561 1.00 0.00 C ATOM 357 CG2 ILE A 23 9.560 -2.392 1.915 1.00 0.00 C ATOM 358 CD1 ILE A 23 10.699 -5.357 2.482 1.00 0.00 C ATOM 0 H ILE A 23 7.204 -3.580 3.337 1.00 0.00 H new ATOM 0 HA ILE A 23 7.286 -2.858 0.521 1.00 0.00 H new ATOM 0 HB ILE A 23 9.474 -4.043 0.567 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.139 -4.367 3.549 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.582 -5.620 2.457 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.634 -2.482 2.080 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.374 -1.661 1.128 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.077 -2.064 2.836 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.840 -6.102 3.265 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.852 -5.821 1.508 1.00 0.00 H new ATOM 0 HD13 ILE A 23 11.418 -4.549 2.616 1.00 0.00 H new ATOM 370 N CYS A 24 7.420 -5.342 -0.464 1.00 0.00 N ATOM 371 CA CYS A 24 7.010 -6.596 -1.084 1.00 0.00 C ATOM 372 C CYS A 24 8.222 -7.385 -1.569 1.00 0.00 C ATOM 373 O CYS A 24 9.071 -6.861 -2.290 1.00 0.00 O ATOM 374 CB CYS A 24 6.063 -6.324 -2.255 1.00 0.00 C ATOM 375 SG CYS A 24 4.770 -5.092 -1.895 1.00 0.00 S ATOM 0 H CYS A 24 8.074 -4.791 -1.020 1.00 0.00 H new ATOM 0 HA CYS A 24 6.489 -7.190 -0.333 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.648 -5.982 -3.109 1.00 0.00 H new ATOM 0 HB3 CYS A 24 5.587 -7.260 -2.548 1.00 0.00 H new ATOM 380 N VAL A 25 8.297 -8.650 -1.168 1.00 0.00 N ATOM 381 CA VAL A 25 9.404 -9.513 -1.562 1.00 0.00 C ATOM 382 C VAL A 25 8.896 -10.818 -2.166 1.00 0.00 C ATOM 383 O VAL A 25 7.851 -11.334 -1.768 1.00 0.00 O ATOM 384 CB VAL A 25 10.318 -9.836 -0.364 1.00 0.00 C ATOM 385 CG1 VAL A 25 9.512 -10.443 0.774 1.00 0.00 C ATOM 386 CG2 VAL A 25 11.442 -10.769 -0.789 1.00 0.00 C ATOM 0 H VAL A 25 7.604 -9.100 -0.570 1.00 0.00 H new ATOM 0 HA VAL A 25 9.978 -8.969 -2.312 1.00 0.00 H new ATOM 0 HB VAL A 25 10.763 -8.907 -0.007 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.174 -10.665 1.611 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.746 -9.737 1.094 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.038 -11.363 0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.078 -10.987 0.069 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.019 -11.698 -1.172 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.036 -10.292 -1.569 1.00 0.00 H new ATOM 396 N LYS A 26 9.643 -11.348 -3.128 1.00 0.00 N ATOM 397 CA LYS A 26 9.271 -12.594 -3.788 1.00 0.00 C ATOM 398 C LYS A 26 10.355 -13.651 -3.606 1.00 0.00 C ATOM 399 O LYS A 26 11.544 -13.332 -3.561 1.00 0.00 O ATOM 400 CB LYS A 26 9.024 -12.352 -5.279 1.00 0.00 C ATOM 401 CG LYS A 26 8.870 -13.630 -6.085 1.00 0.00 C ATOM 402 CD LYS A 26 7.538 -14.307 -5.807 1.00 0.00 C ATOM 403 CE LYS A 26 7.040 -15.076 -7.021 1.00 0.00 C ATOM 404 NZ LYS A 26 8.162 -15.670 -7.800 1.00 0.00 N ATOM 0 H LYS A 26 10.511 -10.934 -3.468 1.00 0.00 H new ATOM 0 HA LYS A 26 8.352 -12.959 -3.329 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.124 -11.748 -5.396 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.853 -11.773 -5.687 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.949 -13.403 -7.148 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.684 -14.314 -5.844 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.644 -14.988 -4.962 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.800 -13.557 -5.522 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.364 -15.867 -6.697 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.465 -14.408 -7.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.787 -16.372 -8.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.655 -14.920 -8.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.829 -16.133 -7.150 1.00 0.00 H new ATOM 418 N ARG A 27 9.938 -14.908 -3.504 1.00 0.00 N ATOM 419 CA ARG A 27 10.875 -16.012 -3.327 1.00 0.00 C ATOM 420 C ARG A 27 10.423 -17.239 -4.114 1.00 0.00 C ATOM 421 O ARG A 27 9.268 -17.654 -4.027 1.00 0.00 O ATOM 422 CB ARG A 27 11.008 -16.364 -1.845 1.00 0.00 C ATOM 423 CG ARG A 27 11.146 -15.150 -0.941 1.00 0.00 C ATOM 424 CD ARG A 27 11.860 -15.499 0.356 1.00 0.00 C ATOM 425 NE ARG A 27 11.083 -16.424 1.176 1.00 0.00 N ATOM 426 CZ ARG A 27 11.528 -16.952 2.311 1.00 0.00 C ATOM 427 NH1 ARG A 27 12.738 -16.647 2.758 1.00 0.00 N ATOM 428 NH2 ARG A 27 10.761 -17.787 3.002 1.00 0.00 N ATOM 0 H ARG A 27 8.958 -15.188 -3.541 1.00 0.00 H new ATOM 0 HA ARG A 27 11.847 -15.695 -3.706 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.134 -16.939 -1.537 1.00 0.00 H new ATOM 0 HB3 ARG A 27 11.877 -17.008 -1.710 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.698 -14.368 -1.462 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.158 -14.748 -0.717 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.829 -15.943 0.128 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.052 -14.587 0.921 1.00 0.00 H new ATOM 0 HE ARG A 27 10.147 -16.679 0.860 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.330 -16.005 2.230 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.077 -17.054 3.630 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.829 -18.024 2.662 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.104 -18.192 3.873 1.00 0.00 H new ATOM 442 N PHE A 28 11.343 -17.815 -4.881 1.00 0.00 N ATOM 443 CA PHE A 28 11.040 -18.993 -5.685 1.00 0.00 C ATOM 444 C PHE A 28 12.258 -19.906 -5.793 1.00 0.00 C ATOM 445 O PHE A 28 13.395 -19.463 -5.631 1.00 0.00 O ATOM 446 CB PHE A 28 10.573 -18.578 -7.082 1.00 0.00 C ATOM 447 CG PHE A 28 11.657 -17.960 -7.917 1.00 0.00 C ATOM 448 CD1 PHE A 28 11.879 -16.592 -7.884 1.00 0.00 C ATOM 449 CD2 PHE A 28 12.455 -18.745 -8.733 1.00 0.00 C ATOM 450 CE1 PHE A 28 12.876 -16.020 -8.653 1.00 0.00 C ATOM 451 CE2 PHE A 28 13.453 -18.179 -9.503 1.00 0.00 C ATOM 452 CZ PHE A 28 13.665 -16.815 -9.462 1.00 0.00 C ATOM 0 H PHE A 28 12.305 -17.485 -4.963 1.00 0.00 H new ATOM 0 HA PHE A 28 10.239 -19.543 -5.191 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.181 -19.453 -7.600 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.751 -17.869 -6.986 1.00 0.00 H new ATOM 0 HD1 PHE A 28 11.267 -15.966 -7.251 1.00 0.00 H new ATOM 0 HD2 PHE A 28 12.295 -19.813 -8.768 1.00 0.00 H new ATOM 0 HE1 PHE A 28 13.038 -14.953 -8.621 1.00 0.00 H new ATOM 0 HE2 PHE A 28 14.067 -18.803 -10.136 1.00 0.00 H new ATOM 0 HZ PHE A 28 14.446 -16.371 -10.061 1.00 0.00 H new ATOM 462 N TYR A 29 12.011 -21.182 -6.068 1.00 0.00 N ATOM 463 CA TYR A 29 13.086 -22.158 -6.196 1.00 0.00 C ATOM 464 C TYR A 29 13.030 -22.856 -7.551 1.00 0.00 C ATOM 465 O TYR A 29 11.964 -23.274 -8.003 1.00 0.00 O ATOM 466 CB TYR A 29 13.000 -23.193 -5.072 1.00 0.00 C ATOM 467 CG TYR A 29 14.343 -23.746 -4.654 1.00 0.00 C ATOM 468 CD1 TYR A 29 14.918 -24.815 -5.331 1.00 0.00 C ATOM 469 CD2 TYR A 29 15.039 -23.199 -3.583 1.00 0.00 C ATOM 470 CE1 TYR A 29 16.144 -25.324 -4.952 1.00 0.00 C ATOM 471 CE2 TYR A 29 16.267 -23.701 -3.198 1.00 0.00 C ATOM 472 CZ TYR A 29 16.815 -24.764 -3.885 1.00 0.00 C ATOM 473 OH TYR A 29 18.038 -25.268 -3.505 1.00 0.00 O ATOM 0 H TYR A 29 11.076 -21.564 -6.207 1.00 0.00 H new ATOM 0 HA TYR A 29 14.035 -21.627 -6.120 1.00 0.00 H new ATOM 0 HB2 TYR A 29 12.519 -22.738 -4.206 1.00 0.00 H new ATOM 0 HB3 TYR A 29 12.362 -24.016 -5.395 1.00 0.00 H new ATOM 0 HD1 TYR A 29 14.397 -25.255 -6.168 1.00 0.00 H new ATOM 0 HD2 TYR A 29 14.613 -22.367 -3.042 1.00 0.00 H new ATOM 0 HE1 TYR A 29 16.575 -26.156 -5.488 1.00 0.00 H new ATOM 0 HE2 TYR A 29 16.795 -23.264 -2.364 1.00 0.00 H new ATOM 0 HH TYR A 29 18.391 -25.841 -4.217 1.00 0.00 H new ATOM 483 N ASP A 30 14.186 -22.979 -8.194 1.00 0.00 N ATOM 484 CA ASP A 30 14.272 -23.628 -9.497 1.00 0.00 C ATOM 485 C ASP A 30 15.150 -24.873 -9.427 1.00 0.00 C ATOM 486 O ASP A 30 16.315 -24.803 -9.037 1.00 0.00 O ATOM 487 CB ASP A 30 14.825 -22.656 -10.539 1.00 0.00 C ATOM 488 CG ASP A 30 16.162 -22.068 -10.131 1.00 0.00 C ATOM 489 OD1 ASP A 30 16.168 -21.116 -9.322 1.00 0.00 O ATOM 490 OD2 ASP A 30 17.201 -22.558 -10.620 1.00 0.00 O ATOM 0 H ASP A 30 15.077 -22.638 -7.834 1.00 0.00 H new ATOM 0 HA ASP A 30 13.267 -23.931 -9.792 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.935 -23.173 -11.492 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.109 -21.849 -10.695 1.00 0.00 H new ATOM 495 N LYS A 31 14.583 -26.013 -9.808 1.00 0.00 N ATOM 496 CA LYS A 31 15.313 -27.275 -9.789 1.00 0.00 C ATOM 497 C LYS A 31 15.722 -27.688 -11.200 1.00 0.00 C ATOM 498 O LYS A 31 15.603 -26.907 -12.143 1.00 0.00 O ATOM 499 CB LYS A 31 14.458 -28.373 -9.153 1.00 0.00 C ATOM 500 CG LYS A 31 15.228 -29.267 -8.197 1.00 0.00 C ATOM 501 CD LYS A 31 14.976 -28.884 -6.749 1.00 0.00 C ATOM 502 CE LYS A 31 16.279 -28.694 -5.988 1.00 0.00 C ATOM 503 NZ LYS A 31 17.086 -29.945 -5.948 1.00 0.00 N ATOM 0 H LYS A 31 13.619 -26.089 -10.134 1.00 0.00 H new ATOM 0 HA LYS A 31 16.215 -27.135 -9.194 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.629 -27.911 -8.617 1.00 0.00 H new ATOM 0 HB3 LYS A 31 14.025 -28.987 -9.942 1.00 0.00 H new ATOM 0 HG2 LYS A 31 14.938 -30.306 -8.355 1.00 0.00 H new ATOM 0 HG3 LYS A 31 16.294 -29.198 -8.412 1.00 0.00 H new ATOM 0 HD2 LYS A 31 14.394 -27.963 -6.711 1.00 0.00 H new ATOM 0 HD3 LYS A 31 14.380 -29.658 -6.265 1.00 0.00 H new ATOM 0 HE2 LYS A 31 16.861 -27.901 -6.457 1.00 0.00 H new ATOM 0 HE3 LYS A 31 16.061 -28.370 -4.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 17.816 -29.864 -5.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 16.466 -30.752 -5.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 17.541 -30.094 -6.871 1.00 0.00 H new ATOM 574 N TRP A 36 10.028 -26.299 -9.713 1.00 0.00 N ATOM 575 CA TRP A 36 9.809 -24.867 -9.881 1.00 0.00 C ATOM 576 C TRP A 36 8.639 -24.392 -9.027 1.00 0.00 C ATOM 577 O TRP A 36 7.487 -24.735 -9.291 1.00 0.00 O ATOM 578 CB TRP A 36 9.550 -24.539 -11.352 1.00 0.00 C ATOM 579 CG TRP A 36 9.697 -23.082 -11.670 1.00 0.00 C ATOM 580 CD1 TRP A 36 8.753 -22.108 -11.506 1.00 0.00 C ATOM 581 CD2 TRP A 36 10.855 -22.435 -12.209 1.00 0.00 C ATOM 582 NE1 TRP A 36 9.255 -20.895 -11.911 1.00 0.00 N ATOM 583 CE2 TRP A 36 10.543 -21.068 -12.345 1.00 0.00 C ATOM 584 CE3 TRP A 36 12.125 -22.877 -12.588 1.00 0.00 C ATOM 585 CZ2 TRP A 36 11.455 -20.143 -12.845 1.00 0.00 C ATOM 586 CZ3 TRP A 36 13.030 -21.957 -13.084 1.00 0.00 C ATOM 587 CH2 TRP A 36 12.692 -20.603 -13.208 1.00 0.00 C ATOM 0 HA TRP A 36 10.709 -24.346 -9.553 1.00 0.00 H new ATOM 0 HB2 TRP A 36 10.241 -25.110 -11.971 1.00 0.00 H new ATOM 0 HB3 TRP A 36 8.543 -24.862 -11.617 1.00 0.00 H new ATOM 0 HD1 TRP A 36 7.759 -22.268 -11.116 1.00 0.00 H new ATOM 0 HE1 TRP A 36 8.750 -20.009 -11.892 1.00 0.00 H new ATOM 0 HE3 TRP A 36 12.395 -23.919 -12.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 11.196 -19.099 -12.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 14.014 -22.288 -13.381 1.00 0.00 H new ATOM 0 HH2 TRP A 36 13.422 -19.909 -13.598 1.00 0.00 H new ATOM 598 N ARG A 37 8.943 -23.600 -8.003 1.00 0.00 N ATOM 599 CA ARG A 37 7.915 -23.078 -7.110 1.00 0.00 C ATOM 600 C ARG A 37 8.190 -21.619 -6.758 1.00 0.00 C ATOM 601 O ARG A 37 9.328 -21.241 -6.484 1.00 0.00 O ATOM 602 CB ARG A 37 7.845 -23.918 -5.833 1.00 0.00 C ATOM 603 CG ARG A 37 9.199 -24.151 -5.183 1.00 0.00 C ATOM 604 CD ARG A 37 9.073 -24.310 -3.675 1.00 0.00 C ATOM 605 NE ARG A 37 8.475 -25.591 -3.308 1.00 0.00 N ATOM 606 CZ ARG A 37 8.055 -25.881 -2.081 1.00 0.00 C ATOM 607 NH1 ARG A 37 8.166 -24.985 -1.110 1.00 0.00 N ATOM 608 NH2 ARG A 37 7.522 -27.068 -1.825 1.00 0.00 N ATOM 0 H ARG A 37 9.892 -23.306 -7.772 1.00 0.00 H new ATOM 0 HA ARG A 37 6.957 -23.134 -7.627 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.188 -23.423 -5.118 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.393 -24.882 -6.066 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.659 -25.044 -5.607 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.861 -23.314 -5.408 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.059 -24.226 -3.218 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.466 -23.498 -3.274 1.00 0.00 H new ATOM 0 HE ARG A 37 8.374 -26.302 -4.033 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.574 -24.071 -1.304 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.843 -25.210 -0.169 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.434 -27.759 -2.570 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.200 -27.290 -0.883 1.00 0.00 H new ATOM 622 N ALA A 38 7.139 -20.805 -6.769 1.00 0.00 N ATOM 623 CA ALA A 38 7.267 -19.389 -6.449 1.00 0.00 C ATOM 624 C ALA A 38 6.287 -18.982 -5.354 1.00 0.00 C ATOM 625 O ALA A 38 5.287 -19.660 -5.122 1.00 0.00 O ATOM 626 CB ALA A 38 7.049 -18.545 -7.696 1.00 0.00 C ATOM 0 H ALA A 38 6.190 -21.102 -6.996 1.00 0.00 H new ATOM 0 HA ALA A 38 8.277 -19.216 -6.078 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.147 -17.489 -7.443 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.792 -18.809 -8.448 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.051 -18.732 -8.092 1.00 0.00 H new ATOM 632 N GLN A 39 6.582 -17.873 -4.684 1.00 0.00 N ATOM 633 CA GLN A 39 5.726 -17.378 -3.613 1.00 0.00 C ATOM 634 C GLN A 39 6.142 -15.973 -3.189 1.00 0.00 C ATOM 635 O GLN A 39 7.299 -15.737 -2.841 1.00 0.00 O ATOM 636 CB GLN A 39 5.779 -18.323 -2.411 1.00 0.00 C ATOM 637 CG GLN A 39 4.571 -18.211 -1.495 1.00 0.00 C ATOM 638 CD GLN A 39 4.528 -19.309 -0.451 1.00 0.00 C ATOM 639 OE1 GLN A 39 5.295 -20.270 -0.510 1.00 0.00 O ATOM 640 NE2 GLN A 39 3.626 -19.172 0.515 1.00 0.00 N ATOM 0 H GLN A 39 7.407 -17.301 -4.864 1.00 0.00 H new ATOM 0 HA GLN A 39 4.704 -17.337 -3.989 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.859 -19.349 -2.770 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.681 -18.115 -1.836 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.586 -17.242 -0.997 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.661 -18.248 -2.094 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.010 -18.359 0.526 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.550 -19.880 1.246 1.00 0.00 H new ATOM 649 N ARG A 40 5.192 -15.045 -3.221 1.00 0.00 N ATOM 650 CA ARG A 40 5.460 -13.663 -2.841 1.00 0.00 C ATOM 651 C ARG A 40 4.859 -13.348 -1.474 1.00 0.00 C ATOM 652 O ARG A 40 4.062 -14.120 -0.943 1.00 0.00 O ATOM 653 CB ARG A 40 4.896 -12.704 -3.891 1.00 0.00 C ATOM 654 CG ARG A 40 5.628 -11.374 -3.957 1.00 0.00 C ATOM 655 CD ARG A 40 5.178 -10.549 -5.152 1.00 0.00 C ATOM 656 NE ARG A 40 6.260 -10.337 -6.110 1.00 0.00 N ATOM 657 CZ ARG A 40 6.454 -11.100 -7.180 1.00 0.00 C ATOM 658 NH1 ARG A 40 5.643 -12.119 -7.428 1.00 0.00 N ATOM 659 NH2 ARG A 40 7.462 -10.844 -8.005 1.00 0.00 N ATOM 0 H ARG A 40 4.229 -15.225 -3.506 1.00 0.00 H new ATOM 0 HA ARG A 40 6.541 -13.532 -2.782 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.941 -13.183 -4.869 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.844 -12.520 -3.674 1.00 0.00 H new ATOM 0 HG2 ARG A 40 5.450 -10.814 -3.039 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.702 -11.551 -4.019 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.348 -11.052 -5.648 1.00 0.00 H new ATOM 0 HD3 ARG A 40 4.805 -9.585 -4.807 1.00 0.00 H new ATOM 0 HE ARG A 40 6.902 -9.561 -5.949 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.867 -12.319 -6.796 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.795 -12.703 -8.250 1.00 0.00 H new ATOM 0 HH21 ARG A 40 8.088 -10.061 -7.818 1.00 0.00 H new ATOM 0 HH22 ARG A 40 7.610 -11.430 -8.826 1.00 0.00 H new ATOM 673 N GLY A 41 5.248 -12.208 -0.911 1.00 0.00 N ATOM 674 CA GLY A 41 4.739 -11.812 0.389 1.00 0.00 C ATOM 675 C GLY A 41 5.290 -10.475 0.844 1.00 0.00 C ATOM 676 O GLY A 41 6.460 -10.167 0.616 1.00 0.00 O ATOM 0 H GLY A 41 5.906 -11.552 -1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.651 -11.759 0.349 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.994 -12.576 1.124 1.00 0.00 H new ATOM 680 N CYS A 42 4.444 -9.677 1.489 1.00 0.00 N ATOM 681 CA CYS A 42 4.852 -8.365 1.975 1.00 0.00 C ATOM 682 C CYS A 42 5.664 -8.489 3.261 1.00 0.00 C ATOM 683 O CYS A 42 5.577 -9.493 3.968 1.00 0.00 O ATOM 684 CB CYS A 42 3.624 -7.484 2.218 1.00 0.00 C ATOM 685 SG CYS A 42 2.386 -7.551 0.884 1.00 0.00 S ATOM 0 H CYS A 42 3.472 -9.917 1.687 1.00 0.00 H new ATOM 0 HA CYS A 42 5.479 -7.902 1.213 1.00 0.00 H new ATOM 0 HB2 CYS A 42 3.152 -7.787 3.153 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.950 -6.452 2.345 1.00 0.00 H new ATOM 690 N ALA A 43 6.453 -7.462 3.558 1.00 0.00 N ATOM 691 CA ALA A 43 7.278 -7.455 4.760 1.00 0.00 C ATOM 692 C ALA A 43 7.686 -6.035 5.138 1.00 0.00 C ATOM 693 O ALA A 43 7.210 -5.064 4.548 1.00 0.00 O ATOM 694 CB ALA A 43 8.511 -8.324 4.558 1.00 0.00 C ATOM 0 H ALA A 43 6.538 -6.624 2.983 1.00 0.00 H new ATOM 0 HA ALA A 43 6.687 -7.865 5.579 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.118 -8.310 5.463 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.204 -9.347 4.343 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.095 -7.938 3.723 1.00 0.00 H new ATOM 700 N VAL A 44 8.568 -5.921 6.125 1.00 0.00 N ATOM 701 CA VAL A 44 9.040 -4.619 6.581 1.00 0.00 C ATOM 702 C VAL A 44 10.563 -4.561 6.598 1.00 0.00 C ATOM 703 O VAL A 44 11.153 -3.588 7.067 1.00 0.00 O ATOM 704 CB VAL A 44 8.510 -4.292 7.990 1.00 0.00 C ATOM 705 CG1 VAL A 44 7.057 -3.845 7.924 1.00 0.00 C ATOM 706 CG2 VAL A 44 8.665 -5.494 8.909 1.00 0.00 C ATOM 0 H VAL A 44 8.970 -6.714 6.624 1.00 0.00 H new ATOM 0 HA VAL A 44 8.659 -3.880 5.876 1.00 0.00 H new ATOM 0 HB VAL A 44 9.099 -3.471 8.400 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.700 -3.618 8.929 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.978 -2.954 7.301 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.450 -4.642 7.495 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.286 -5.245 9.900 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.102 -6.336 8.505 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.719 -5.764 8.981 1.00 0.00 H new ATOM 716 N SER A 45 11.196 -5.610 6.081 1.00 0.00 N ATOM 717 CA SER A 45 12.651 -5.680 6.039 1.00 0.00 C ATOM 718 C SER A 45 13.123 -6.430 4.797 1.00 0.00 C ATOM 719 O SER A 45 12.336 -7.093 4.121 1.00 0.00 O ATOM 720 CB SER A 45 13.186 -6.367 7.297 1.00 0.00 C ATOM 721 OG SER A 45 12.775 -5.680 8.467 1.00 0.00 O ATOM 0 H SER A 45 10.723 -6.423 5.686 1.00 0.00 H new ATOM 0 HA SER A 45 13.038 -4.662 5.997 1.00 0.00 H new ATOM 0 HB2 SER A 45 12.830 -7.397 7.332 1.00 0.00 H new ATOM 0 HB3 SER A 45 14.275 -6.407 7.258 1.00 0.00 H new ATOM 0 HG SER A 45 13.128 -6.139 9.257 1.00 0.00 H new ATOM 727 N CYS A 46 14.415 -6.321 4.503 1.00 0.00 N ATOM 728 CA CYS A 46 14.994 -6.988 3.343 1.00 0.00 C ATOM 729 C CYS A 46 15.963 -8.085 3.774 1.00 0.00 C ATOM 730 O CYS A 46 17.182 -7.912 3.761 1.00 0.00 O ATOM 731 CB CYS A 46 15.717 -5.974 2.455 1.00 0.00 C ATOM 732 SG CYS A 46 14.783 -5.488 0.968 1.00 0.00 S ATOM 0 H CYS A 46 15.080 -5.777 5.052 1.00 0.00 H new ATOM 0 HA CYS A 46 14.184 -7.446 2.776 1.00 0.00 H new ATOM 0 HB2 CYS A 46 15.934 -5.082 3.043 1.00 0.00 H new ATOM 0 HB3 CYS A 46 16.675 -6.394 2.148 1.00 0.00 H new ATOM 737 N PRO A 47 15.409 -9.243 4.165 1.00 0.00 N ATOM 738 CA PRO A 47 16.206 -10.392 4.606 1.00 0.00 C ATOM 739 C PRO A 47 16.979 -11.035 3.461 1.00 0.00 C ATOM 740 O PRO A 47 17.063 -10.480 2.365 1.00 0.00 O ATOM 741 CB PRO A 47 15.156 -11.361 5.154 1.00 0.00 C ATOM 742 CG PRO A 47 13.899 -11.003 4.439 1.00 0.00 C ATOM 743 CD PRO A 47 13.964 -9.519 4.206 1.00 0.00 C ATOM 0 HA PRO A 47 16.965 -10.107 5.335 1.00 0.00 H new ATOM 0 HB2 PRO A 47 15.437 -12.397 4.965 1.00 0.00 H new ATOM 0 HB3 PRO A 47 15.042 -11.253 6.233 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.819 -11.543 3.496 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.024 -11.267 5.032 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.474 -9.237 3.274 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.472 -8.965 5.005 1.00 0.00 H new ATOM 751 N LYS A 48 17.543 -12.210 3.720 1.00 0.00 N ATOM 752 CA LYS A 48 18.308 -12.932 2.710 1.00 0.00 C ATOM 753 C LYS A 48 17.864 -14.389 2.629 1.00 0.00 C ATOM 754 O LYS A 48 16.913 -14.795 3.296 1.00 0.00 O ATOM 755 CB LYS A 48 19.804 -12.861 3.027 1.00 0.00 C ATOM 756 CG LYS A 48 20.136 -13.195 4.471 1.00 0.00 C ATOM 757 CD LYS A 48 20.081 -14.692 4.723 1.00 0.00 C ATOM 758 CE LYS A 48 20.920 -15.085 5.930 1.00 0.00 C ATOM 759 NZ LYS A 48 20.395 -16.309 6.595 1.00 0.00 N ATOM 0 H LYS A 48 17.485 -12.683 4.622 1.00 0.00 H new ATOM 0 HA LYS A 48 18.124 -12.460 1.745 1.00 0.00 H new ATOM 0 HB2 LYS A 48 20.339 -13.548 2.372 1.00 0.00 H new ATOM 0 HB3 LYS A 48 20.167 -11.858 2.802 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.131 -12.821 4.713 1.00 0.00 H new ATOM 0 HG3 LYS A 48 19.435 -12.687 5.133 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.047 -14.998 4.882 1.00 0.00 H new ATOM 0 HD3 LYS A 48 20.438 -15.224 3.841 1.00 0.00 H new ATOM 0 HE2 LYS A 48 21.950 -15.255 5.616 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.936 -14.262 6.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 20.994 -16.544 7.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.421 -16.138 6.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 20.403 -17.101 5.921 1.00 0.00 H new ATOM 773 N ALA A 49 18.559 -15.170 1.809 1.00 0.00 N ATOM 774 CA ALA A 49 18.238 -16.582 1.643 1.00 0.00 C ATOM 775 C ALA A 49 19.456 -17.370 1.174 1.00 0.00 C ATOM 776 O ALA A 49 20.575 -16.857 1.162 1.00 0.00 O ATOM 777 CB ALA A 49 17.087 -16.750 0.662 1.00 0.00 C ATOM 0 H ALA A 49 19.349 -14.848 1.249 1.00 0.00 H new ATOM 0 HA ALA A 49 17.934 -16.977 2.612 1.00 0.00 H new ATOM 0 HB1 ALA A 49 16.858 -17.810 0.548 1.00 0.00 H new ATOM 0 HB2 ALA A 49 16.208 -16.227 1.039 1.00 0.00 H new ATOM 0 HB3 ALA A 49 17.369 -16.333 -0.305 1.00 0.00 H new ATOM 783 N LYS A 50 19.231 -18.622 0.787 1.00 0.00 N ATOM 784 CA LYS A 50 20.310 -19.482 0.316 1.00 0.00 C ATOM 785 C LYS A 50 20.720 -19.111 -1.106 1.00 0.00 C ATOM 786 O LYS A 50 19.959 -18.503 -1.858 1.00 0.00 O ATOM 787 CB LYS A 50 19.878 -20.950 0.367 1.00 0.00 C ATOM 788 CG LYS A 50 19.956 -21.559 1.756 1.00 0.00 C ATOM 789 CD LYS A 50 19.819 -23.071 1.710 1.00 0.00 C ATOM 790 CE LYS A 50 18.435 -23.492 1.242 1.00 0.00 C ATOM 791 NZ LYS A 50 17.412 -23.322 2.311 1.00 0.00 N ATOM 0 H LYS A 50 18.311 -19.063 0.791 1.00 0.00 H new ATOM 0 HA LYS A 50 21.169 -19.339 0.972 1.00 0.00 H new ATOM 0 HB2 LYS A 50 18.855 -21.032 0.001 1.00 0.00 H new ATOM 0 HB3 LYS A 50 20.506 -21.529 -0.310 1.00 0.00 H new ATOM 0 HG2 LYS A 50 20.907 -21.293 2.218 1.00 0.00 H new ATOM 0 HG3 LYS A 50 19.169 -21.140 2.383 1.00 0.00 H new ATOM 0 HD2 LYS A 50 20.572 -23.485 1.040 1.00 0.00 H new ATOM 0 HD3 LYS A 50 20.011 -23.485 2.700 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.151 -22.902 0.371 1.00 0.00 H new ATOM 0 HE3 LYS A 50 18.460 -24.535 0.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 16.482 -23.620 1.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.669 -23.905 3.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 17.369 -22.322 2.595 1.00 0.00 H new ATOM 805 N PRO A 51 21.951 -19.487 -1.484 1.00 0.00 N ATOM 806 CA PRO A 51 22.489 -19.206 -2.818 1.00 0.00 C ATOM 807 C PRO A 51 21.799 -20.022 -3.906 1.00 0.00 C ATOM 808 O PRO A 51 21.944 -19.739 -5.094 1.00 0.00 O ATOM 809 CB PRO A 51 23.961 -19.609 -2.700 1.00 0.00 C ATOM 810 CG PRO A 51 23.989 -20.621 -1.607 1.00 0.00 C ATOM 811 CD PRO A 51 22.912 -20.216 -0.639 1.00 0.00 C ATOM 0 HA PRO A 51 22.340 -18.165 -3.106 1.00 0.00 H new ATOM 0 HB2 PRO A 51 24.334 -20.026 -3.636 1.00 0.00 H new ATOM 0 HB3 PRO A 51 24.589 -18.751 -2.461 1.00 0.00 H new ATOM 0 HG2 PRO A 51 23.806 -21.622 -1.998 1.00 0.00 H new ATOM 0 HG3 PRO A 51 24.964 -20.642 -1.120 1.00 0.00 H new ATOM 0 HD2 PRO A 51 22.452 -21.082 -0.163 1.00 0.00 H new ATOM 0 HD3 PRO A 51 23.305 -19.586 0.159 1.00 0.00 H new ATOM 819 N ASN A 52 21.047 -21.037 -3.491 1.00 0.00 N ATOM 820 CA ASN A 52 20.334 -21.895 -4.430 1.00 0.00 C ATOM 821 C ASN A 52 19.000 -21.272 -4.831 1.00 0.00 C ATOM 822 O ASN A 52 18.675 -21.189 -6.014 1.00 0.00 O ATOM 823 CB ASN A 52 20.101 -23.276 -3.815 1.00 0.00 C ATOM 824 CG ASN A 52 21.398 -23.974 -3.452 1.00 0.00 C ATOM 825 OD1 ASN A 52 22.012 -24.639 -4.285 1.00 0.00 O ATOM 826 ND2 ASN A 52 21.820 -23.824 -2.202 1.00 0.00 N ATOM 0 H ASN A 52 20.916 -21.285 -2.510 1.00 0.00 H new ATOM 0 HA ASN A 52 20.948 -22.002 -5.324 1.00 0.00 H new ATOM 0 HB2 ASN A 52 19.484 -23.174 -2.922 1.00 0.00 H new ATOM 0 HB3 ASN A 52 19.543 -23.894 -4.518 1.00 0.00 H new ATOM 0 HD21 ASN A 52 22.686 -24.270 -1.899 1.00 0.00 H new ATOM 0 HD22 ASN A 52 21.278 -23.263 -1.545 1.00 0.00 H new ATOM 833 N GLU A 53 18.234 -20.837 -3.836 1.00 0.00 N ATOM 834 CA GLU A 53 16.935 -20.222 -4.085 1.00 0.00 C ATOM 835 C GLU A 53 17.099 -18.820 -4.665 1.00 0.00 C ATOM 836 O GLU A 53 18.217 -18.354 -4.886 1.00 0.00 O ATOM 837 CB GLU A 53 16.119 -20.159 -2.792 1.00 0.00 C ATOM 838 CG GLU A 53 16.726 -19.254 -1.733 1.00 0.00 C ATOM 839 CD GLU A 53 16.136 -19.490 -0.357 1.00 0.00 C ATOM 840 OE1 GLU A 53 14.947 -19.166 -0.156 1.00 0.00 O ATOM 841 OE2 GLU A 53 16.864 -20.000 0.521 1.00 0.00 O ATOM 0 H GLU A 53 18.490 -20.899 -2.851 1.00 0.00 H new ATOM 0 HA GLU A 53 16.404 -20.837 -4.811 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.113 -19.809 -3.024 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.021 -21.165 -2.385 1.00 0.00 H new ATOM 0 HG2 GLU A 53 17.803 -19.417 -1.695 1.00 0.00 H new ATOM 0 HG3 GLU A 53 16.571 -18.213 -2.017 1.00 0.00 H new ATOM 848 N THR A 54 15.976 -18.153 -4.910 1.00 0.00 N ATOM 849 CA THR A 54 15.994 -16.805 -5.466 1.00 0.00 C ATOM 850 C THR A 54 15.005 -15.899 -4.741 1.00 0.00 C ATOM 851 O THR A 54 13.793 -16.098 -4.819 1.00 0.00 O ATOM 852 CB THR A 54 15.659 -16.813 -6.969 1.00 0.00 C ATOM 853 OG1 THR A 54 16.513 -17.735 -7.657 1.00 0.00 O ATOM 854 CG2 THR A 54 15.819 -15.423 -7.567 1.00 0.00 C ATOM 0 H THR A 54 15.043 -18.524 -4.732 1.00 0.00 H new ATOM 0 HA THR A 54 17.004 -16.419 -5.329 1.00 0.00 H new ATOM 0 HB THR A 54 14.621 -17.124 -7.085 1.00 0.00 H new ATOM 0 HG1 THR A 54 16.292 -17.735 -8.612 1.00 0.00 H new ATOM 0 HG21 THR A 54 15.577 -15.454 -8.629 1.00 0.00 H new ATOM 0 HG22 THR A 54 15.147 -14.730 -7.062 1.00 0.00 H new ATOM 0 HG23 THR A 54 16.848 -15.088 -7.439 1.00 0.00 H new ATOM 862 N VAL A 55 15.530 -14.901 -4.037 1.00 0.00 N ATOM 863 CA VAL A 55 14.693 -13.962 -3.300 1.00 0.00 C ATOM 864 C VAL A 55 15.011 -12.522 -3.687 1.00 0.00 C ATOM 865 O VAL A 55 16.176 -12.146 -3.812 1.00 0.00 O ATOM 866 CB VAL A 55 14.872 -14.125 -1.779 1.00 0.00 C ATOM 867 CG1 VAL A 55 16.326 -13.907 -1.386 1.00 0.00 C ATOM 868 CG2 VAL A 55 13.959 -13.167 -1.030 1.00 0.00 C ATOM 0 H VAL A 55 16.531 -14.722 -3.962 1.00 0.00 H new ATOM 0 HA VAL A 55 13.659 -14.186 -3.563 1.00 0.00 H new ATOM 0 HB VAL A 55 14.595 -15.143 -1.505 1.00 0.00 H new ATOM 0 HG11 VAL A 55 16.433 -14.026 -0.308 1.00 0.00 H new ATOM 0 HG12 VAL A 55 16.954 -14.637 -1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 55 16.633 -12.901 -1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 55 14.098 -13.296 0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 55 14.202 -12.141 -1.307 1.00 0.00 H new ATOM 0 HG23 VAL A 55 12.921 -13.376 -1.289 1.00 0.00 H new ATOM 878 N GLN A 56 13.967 -11.722 -3.874 1.00 0.00 N ATOM 879 CA GLN A 56 14.135 -10.322 -4.247 1.00 0.00 C ATOM 880 C GLN A 56 13.090 -9.447 -3.562 1.00 0.00 C ATOM 881 O GLN A 56 11.894 -9.563 -3.833 1.00 0.00 O ATOM 882 CB GLN A 56 14.037 -10.161 -5.765 1.00 0.00 C ATOM 883 CG GLN A 56 12.835 -10.864 -6.375 1.00 0.00 C ATOM 884 CD GLN A 56 13.192 -12.204 -6.987 1.00 0.00 C ATOM 885 OE1 GLN A 56 13.868 -12.270 -8.014 1.00 0.00 O ATOM 886 NE2 GLN A 56 12.739 -13.283 -6.358 1.00 0.00 N ATOM 0 H GLN A 56 12.996 -12.019 -3.774 1.00 0.00 H new ATOM 0 HA GLN A 56 15.123 -10.001 -3.918 1.00 0.00 H new ATOM 0 HB2 GLN A 56 13.988 -9.099 -6.007 1.00 0.00 H new ATOM 0 HB3 GLN A 56 14.946 -10.551 -6.223 1.00 0.00 H new ATOM 0 HG2 GLN A 56 12.076 -11.010 -5.607 1.00 0.00 H new ATOM 0 HG3 GLN A 56 12.395 -10.225 -7.140 1.00 0.00 H new ATOM 0 HE21 GLN A 56 12.182 -13.182 -5.509 1.00 0.00 H new ATOM 0 HE22 GLN A 56 12.948 -14.212 -6.724 1.00 0.00 H new ATOM 895 N CYS A 57 13.549 -8.571 -2.675 1.00 0.00 N ATOM 896 CA CYS A 57 12.654 -7.676 -1.951 1.00 0.00 C ATOM 897 C CYS A 57 12.701 -6.268 -2.537 1.00 0.00 C ATOM 898 O CYS A 57 13.777 -5.714 -2.765 1.00 0.00 O ATOM 899 CB CYS A 57 13.030 -7.635 -0.468 1.00 0.00 C ATOM 900 SG CYS A 57 14.752 -7.133 -0.151 1.00 0.00 S ATOM 0 H CYS A 57 14.536 -8.462 -2.440 1.00 0.00 H new ATOM 0 HA CYS A 57 11.639 -8.059 -2.052 1.00 0.00 H new ATOM 0 HB2 CYS A 57 12.361 -6.945 0.046 1.00 0.00 H new ATOM 0 HB3 CYS A 57 12.865 -8.622 -0.035 1.00 0.00 H new ATOM 905 N CYS A 58 11.527 -5.695 -2.780 1.00 0.00 N ATOM 906 CA CYS A 58 11.432 -4.352 -3.340 1.00 0.00 C ATOM 907 C CYS A 58 10.680 -3.420 -2.394 1.00 0.00 C ATOM 908 O CYS A 58 9.765 -3.843 -1.687 1.00 0.00 O ATOM 909 CB CYS A 58 10.731 -4.392 -4.699 1.00 0.00 C ATOM 910 SG CYS A 58 11.747 -3.773 -6.078 1.00 0.00 S ATOM 0 H CYS A 58 10.628 -6.140 -2.598 1.00 0.00 H new ATOM 0 HA CYS A 58 12.443 -3.968 -3.472 1.00 0.00 H new ATOM 0 HB2 CYS A 58 10.434 -5.419 -4.913 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.817 -3.801 -4.642 1.00 0.00 H new ATOM 915 N SER A 59 11.072 -2.150 -2.388 1.00 0.00 N ATOM 916 CA SER A 59 10.437 -1.159 -1.527 1.00 0.00 C ATOM 917 C SER A 59 10.065 0.091 -2.320 1.00 0.00 C ATOM 918 O SER A 59 10.608 1.172 -2.089 1.00 0.00 O ATOM 919 CB SER A 59 11.368 -0.785 -0.372 1.00 0.00 C ATOM 920 OG SER A 59 12.676 -0.509 -0.840 1.00 0.00 O ATOM 0 H SER A 59 11.826 -1.783 -2.969 1.00 0.00 H new ATOM 0 HA SER A 59 9.525 -1.597 -1.122 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.973 0.087 0.149 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.402 -1.600 0.351 1.00 0.00 H new ATOM 0 HG SER A 59 12.642 0.217 -1.497 1.00 0.00 H new ATOM 926 N THR A 60 9.135 -0.065 -3.257 1.00 0.00 N ATOM 927 CA THR A 60 8.691 1.048 -4.086 1.00 0.00 C ATOM 928 C THR A 60 7.519 0.641 -4.971 1.00 0.00 C ATOM 929 O THR A 60 7.314 -0.543 -5.240 1.00 0.00 O ATOM 930 CB THR A 60 9.832 1.577 -4.975 1.00 0.00 C ATOM 931 OG1 THR A 60 10.952 0.687 -4.916 1.00 0.00 O ATOM 932 CG2 THR A 60 10.260 2.969 -4.535 1.00 0.00 C ATOM 0 H THR A 60 8.675 -0.952 -3.461 1.00 0.00 H new ATOM 0 HA THR A 60 8.373 1.840 -3.408 1.00 0.00 H new ATOM 0 HB THR A 60 9.467 1.634 -6.001 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.672 1.030 -5.485 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.067 3.322 -5.177 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.413 3.651 -4.609 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.608 2.933 -3.503 1.00 0.00 H new ATOM 940 N ASP A 61 6.753 1.628 -5.422 1.00 0.00 N ATOM 941 CA ASP A 61 5.601 1.372 -6.279 1.00 0.00 C ATOM 942 C ASP A 61 6.044 0.851 -7.643 1.00 0.00 C ATOM 943 O ASP A 61 6.959 1.397 -8.261 1.00 0.00 O ATOM 944 CB ASP A 61 4.773 2.646 -6.451 1.00 0.00 C ATOM 945 CG ASP A 61 4.718 3.476 -5.183 1.00 0.00 C ATOM 946 OD1 ASP A 61 5.742 4.102 -4.840 1.00 0.00 O ATOM 947 OD2 ASP A 61 3.651 3.499 -4.535 1.00 0.00 O ATOM 0 H ASP A 61 6.909 2.613 -5.208 1.00 0.00 H new ATOM 0 HA ASP A 61 4.986 0.610 -5.801 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.197 3.246 -7.256 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.760 2.380 -6.752 1.00 0.00 H new ATOM 952 N LYS A 62 5.391 -0.209 -8.106 1.00 0.00 N ATOM 953 CA LYS A 62 5.716 -0.805 -9.397 1.00 0.00 C ATOM 954 C LYS A 62 7.166 -1.276 -9.428 1.00 0.00 C ATOM 955 O LYS A 62 7.755 -1.434 -10.498 1.00 0.00 O ATOM 956 CB LYS A 62 5.471 0.202 -10.523 1.00 0.00 C ATOM 957 CG LYS A 62 4.057 0.164 -11.075 1.00 0.00 C ATOM 958 CD LYS A 62 3.549 1.558 -11.404 1.00 0.00 C ATOM 959 CE LYS A 62 2.541 1.530 -12.543 1.00 0.00 C ATOM 960 NZ LYS A 62 3.169 1.118 -13.829 1.00 0.00 N ATOM 0 H LYS A 62 4.633 -0.674 -7.606 1.00 0.00 H new ATOM 0 HA LYS A 62 5.068 -1.669 -9.544 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.681 1.206 -10.154 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.174 0.007 -11.333 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.032 -0.454 -11.972 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.394 -0.304 -10.347 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.088 1.996 -10.519 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.389 2.198 -11.676 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.733 0.841 -12.296 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.094 2.518 -12.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.626 1.513 -14.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.146 1.472 -13.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.174 0.080 -13.896 1.00 0.00 H new ATOM 974 N CYS A 63 7.737 -1.500 -8.249 1.00 0.00 N ATOM 975 CA CYS A 63 9.118 -1.955 -8.141 1.00 0.00 C ATOM 976 C CYS A 63 9.188 -3.478 -8.107 1.00 0.00 C ATOM 977 O CYS A 63 9.983 -4.090 -8.820 1.00 0.00 O ATOM 978 CB CYS A 63 9.771 -1.374 -6.885 1.00 0.00 C ATOM 979 SG CYS A 63 11.473 -1.955 -6.596 1.00 0.00 S ATOM 0 H CYS A 63 7.264 -1.374 -7.354 1.00 0.00 H new ATOM 0 HA CYS A 63 9.660 -1.604 -9.019 1.00 0.00 H new ATOM 0 HB2 CYS A 63 9.778 -0.287 -6.962 1.00 0.00 H new ATOM 0 HB3 CYS A 63 9.159 -1.629 -6.019 1.00 0.00 H new ATOM 984 N ASN A 64 8.351 -4.085 -7.272 1.00 0.00 N ATOM 985 CA ASN A 64 8.318 -5.538 -7.144 1.00 0.00 C ATOM 986 C ASN A 64 8.214 -6.202 -8.513 1.00 0.00 C ATOM 987 O ASN A 64 7.188 -6.104 -9.187 1.00 0.00 O ATOM 988 CB ASN A 64 7.141 -5.966 -6.266 1.00 0.00 C ATOM 989 CG ASN A 64 7.484 -7.143 -5.373 1.00 0.00 C ATOM 990 OD1 ASN A 64 8.656 -7.454 -5.160 1.00 0.00 O ATOM 991 ND2 ASN A 64 6.460 -7.804 -4.845 1.00 0.00 N ATOM 0 H ASN A 64 7.687 -3.594 -6.674 1.00 0.00 H new ATOM 0 HA ASN A 64 9.248 -5.858 -6.675 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.827 -5.124 -5.649 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.295 -6.229 -6.901 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.629 -8.604 -4.236 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.504 -7.511 -5.049 1.00 0.00 H new ATOM 998 N LYS A 65 9.283 -6.880 -8.919 1.00 0.00 N ATOM 999 CA LYS A 65 9.313 -7.563 -10.206 1.00 0.00 C ATOM 1000 C LYS A 65 9.667 -9.036 -10.032 1.00 0.00 C ATOM 1001 O LYS A 65 10.131 -9.688 -10.968 1.00 0.00 O ATOM 1002 CB LYS A 65 10.323 -6.892 -11.139 1.00 0.00 C ATOM 1003 CG LYS A 65 11.766 -7.054 -10.692 1.00 0.00 C ATOM 1004 CD LYS A 65 12.693 -6.118 -11.449 1.00 0.00 C ATOM 1005 CE LYS A 65 13.107 -6.708 -12.789 1.00 0.00 C ATOM 1006 NZ LYS A 65 13.627 -5.666 -13.717 1.00 0.00 N ATOM 0 H LYS A 65 10.140 -6.971 -8.374 1.00 0.00 H new ATOM 0 HA LYS A 65 8.319 -7.496 -10.648 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.213 -7.309 -12.140 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.090 -5.829 -11.209 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.841 -6.856 -9.623 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.082 -8.085 -10.848 1.00 0.00 H new ATOM 0 HD2 LYS A 65 12.195 -5.162 -11.609 1.00 0.00 H new ATOM 0 HD3 LYS A 65 13.580 -5.918 -10.848 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.872 -7.468 -12.630 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.252 -7.207 -13.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.898 -6.108 -14.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.888 -4.954 -13.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.458 -5.207 -13.293 1.00 0.00 H new