USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 562 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 GLN : amide:sc= 2.05 K(o=3.3,f=-3.8) USER MOD Set 1.2: A 50 GLN : amide:sc= 1.21 K(o=3.3,f=-2.1!) USER MOD Set 2.1: A 29 GLN : amide:sc= 1.48 K(o=2.2,f=-0.47) USER MOD Set 2.2: A 64 LYS NZ :NH3+ -147:sc= 0.739 (180deg=0) USER MOD Set 3.1: A 1 GLY N :NH3+ -145:sc= 0.762 (180deg=0) USER MOD Set 3.2: A 3 THR OG1 : rot 180:sc= 0.803 USER MOD Single : A 4 LYS NZ :NH3+ -139:sc= -0.064 (180deg=-0.957) USER MOD Single : A 10 THR OG1 : rot -179:sc= 0.705 USER MOD Single : A 18 HIS : no HE2:sc= 0.61 K(o=0.61,f=-3.2!) USER MOD Single : A 20 SER OG : rot -59:sc= 1.5 USER MOD Single : A 23 LYS NZ :NH3+ 172:sc= -0.0171 (180deg=-0.132) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0448 USER MOD Single : A 27 GLN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0861 USER MOD Single : A 33 THR OG1 : rot 97:sc= 0.699 USER MOD Single : A 35 HIS : no HE2:sc= 1.06 K(o=1.1,f=-3.6!) USER MOD Single : A 37 SER OG : rot 60:sc= 0.317 USER MOD Single : A 41 GLN : amide:sc= 1.14 K(o=1.1,f=-0.66) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 1.04 K(o=1,f=-0.06) USER MOD Single : A 51 GLN : amide:sc= -0.0748 X(o=-0.075,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HE2:sc= 0.168 K(o=0.17,f=-2.7!) USER MOD Single : A 57 GLN : amide:sc= 0.899 K(o=0.9,f=-5.3!) USER MOD Single : A 61 THR OG1 : rot -71:sc= 0.928 USER MOD Single : A 68 ASN : amide:sc= -0.012 K(o=-0.012,f=-4.7!) USER MOD Single : A 69 LYS NZ :NH3+ -153:sc= 0.00099 (180deg=0) USER MOD Single : A 71 HIS : no HE2:sc= 1.07 K(o=1.1,f=-3.7!) USER MOD Single : A 73 HIS : no HE2:sc= 0.864 K(o=0.86,f=-3.2!) USER MOD Single : A 79 SER OG : rot -72:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.606 0.242 -3.528 1.00 10.00 N ATOM 2 CA GLY A 1 24.279 0.540 -4.040 1.00 10.00 C ATOM 3 C GLY A 1 23.628 -0.762 -4.482 1.00 10.00 C ATOM 4 O GLY A 1 22.820 -1.329 -3.751 1.00 10.00 O ATOM 0 H1 GLY A 1 25.826 0.883 -2.739 1.00 10.00 H new ATOM 0 H2 GLY A 1 25.636 -0.742 -3.193 1.00 10.00 H new ATOM 0 H3 GLY A 1 26.307 0.372 -4.285 1.00 10.00 H new ATOM 0 HA2 GLY A 1 23.676 1.023 -3.271 1.00 10.00 H new ATOM 0 HA3 GLY A 1 24.343 1.235 -4.878 1.00 10.00 H new ATOM 8 N VAL A 2 24.040 -1.275 -5.646 1.00 10.00 N ATOM 9 CA VAL A 2 23.584 -2.552 -6.197 1.00 10.00 C ATOM 10 C VAL A 2 23.792 -3.708 -5.207 1.00 10.00 C ATOM 11 O VAL A 2 23.105 -4.727 -5.278 1.00 10.00 O ATOM 12 CB VAL A 2 24.282 -2.828 -7.542 1.00 10.00 C ATOM 13 CG1 VAL A 2 23.890 -1.772 -8.584 1.00 10.00 C ATOM 14 CG2 VAL A 2 25.812 -2.895 -7.422 1.00 10.00 C ATOM 0 H VAL A 2 24.716 -0.801 -6.244 1.00 10.00 H new ATOM 0 HA VAL A 2 22.511 -2.481 -6.373 1.00 10.00 H new ATOM 0 HB VAL A 2 23.939 -3.810 -7.867 1.00 10.00 H new ATOM 0 HG11 VAL A 2 24.394 -1.986 -9.526 1.00 10.00 H new ATOM 0 HG12 VAL A 2 22.811 -1.794 -8.737 1.00 10.00 H new ATOM 0 HG13 VAL A 2 24.186 -0.784 -8.230 1.00 10.00 H new ATOM 0 HG21 VAL A 2 26.246 -3.092 -8.402 1.00 10.00 H new ATOM 0 HG22 VAL A 2 26.189 -1.945 -7.043 1.00 10.00 H new ATOM 0 HG23 VAL A 2 26.088 -3.695 -6.736 1.00 10.00 H new ATOM 24 N THR A 3 24.737 -3.531 -4.281 1.00 10.00 N ATOM 25 CA THR A 3 25.081 -4.437 -3.206 1.00 10.00 C ATOM 26 C THR A 3 23.927 -4.564 -2.205 1.00 10.00 C ATOM 27 O THR A 3 23.706 -5.640 -1.657 1.00 10.00 O ATOM 28 CB THR A 3 26.326 -3.848 -2.527 1.00 10.00 C ATOM 29 OG1 THR A 3 26.214 -2.429 -2.484 1.00 10.00 O ATOM 30 CG2 THR A 3 27.585 -4.196 -3.326 1.00 10.00 C ATOM 0 H THR A 3 25.316 -2.691 -4.270 1.00 10.00 H new ATOM 0 HA THR A 3 25.275 -5.439 -3.587 1.00 10.00 H new ATOM 0 HB THR A 3 26.398 -4.263 -1.522 1.00 10.00 H new ATOM 0 HG1 THR A 3 27.007 -2.051 -2.049 1.00 10.00 H new ATOM 0 HG21 THR A 3 28.459 -3.771 -2.832 1.00 10.00 H new ATOM 0 HG22 THR A 3 27.692 -5.279 -3.384 1.00 10.00 H new ATOM 0 HG23 THR A 3 27.502 -3.786 -4.332 1.00 10.00 H new ATOM 38 N LYS A 4 23.203 -3.467 -1.964 1.00 10.00 N ATOM 39 CA LYS A 4 22.066 -3.415 -1.054 1.00 10.00 C ATOM 40 C LYS A 4 20.789 -3.648 -1.860 1.00 10.00 C ATOM 41 O LYS A 4 19.954 -4.482 -1.515 1.00 10.00 O ATOM 42 CB LYS A 4 22.024 -2.047 -0.359 1.00 10.00 C ATOM 43 CG LYS A 4 23.255 -1.818 0.527 1.00 10.00 C ATOM 44 CD LYS A 4 23.374 -0.374 1.041 1.00 10.00 C ATOM 45 CE LYS A 4 22.181 0.092 1.888 1.00 10.00 C ATOM 46 NZ LYS A 4 21.079 0.622 1.064 1.00 10.00 N ATOM 0 H LYS A 4 23.400 -2.571 -2.410 1.00 10.00 H new ATOM 0 HA LYS A 4 22.157 -4.185 -0.288 1.00 10.00 H new ATOM 0 HB2 LYS A 4 21.966 -1.260 -1.110 1.00 10.00 H new ATOM 0 HB3 LYS A 4 21.121 -1.976 0.248 1.00 10.00 H new ATOM 0 HG2 LYS A 4 23.213 -2.497 1.379 1.00 10.00 H new ATOM 0 HG3 LYS A 4 24.153 -2.070 -0.038 1.00 10.00 H new ATOM 0 HD2 LYS A 4 24.284 -0.285 1.635 1.00 10.00 H new ATOM 0 HD3 LYS A 4 23.484 0.296 0.188 1.00 10.00 H new ATOM 0 HE2 LYS A 4 21.815 -0.743 2.486 1.00 10.00 H new ATOM 0 HE3 LYS A 4 22.512 0.862 2.585 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 20.682 1.469 1.519 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 21.440 0.872 0.121 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 20.337 -0.101 0.970 1.00 10.00 H new ATOM 60 N GLU A 5 20.652 -2.906 -2.959 1.00 10.00 N ATOM 61 CA GLU A 5 19.541 -2.973 -3.889 1.00 10.00 C ATOM 62 C GLU A 5 19.700 -4.237 -4.737 1.00 10.00 C ATOM 63 O GLU A 5 19.938 -4.152 -5.939 1.00 10.00 O ATOM 64 CB GLU A 5 19.558 -1.708 -4.762 1.00 10.00 C ATOM 65 CG GLU A 5 19.450 -0.416 -3.940 1.00 10.00 C ATOM 66 CD GLU A 5 19.705 0.804 -4.818 1.00 10.00 C ATOM 67 OE1 GLU A 5 20.900 1.088 -5.056 1.00 10.00 O ATOM 68 OE2 GLU A 5 18.705 1.421 -5.243 1.00 10.00 O ATOM 0 H GLU A 5 21.348 -2.212 -3.231 1.00 10.00 H new ATOM 0 HA GLU A 5 18.585 -3.020 -3.367 1.00 10.00 H new ATOM 0 HB2 GLU A 5 20.479 -1.687 -5.345 1.00 10.00 H new ATOM 0 HB3 GLU A 5 18.732 -1.751 -5.472 1.00 10.00 H new ATOM 0 HG2 GLU A 5 18.459 -0.346 -3.491 1.00 10.00 H new ATOM 0 HG3 GLU A 5 20.170 -0.438 -3.122 1.00 10.00 H new ATOM 75 N ILE A 6 19.599 -5.408 -4.104 1.00 10.00 N ATOM 76 CA ILE A 6 19.776 -6.703 -4.746 1.00 10.00 C ATOM 77 C ILE A 6 18.625 -7.035 -5.706 1.00 10.00 C ATOM 78 O ILE A 6 17.790 -7.897 -5.433 1.00 10.00 O ATOM 79 CB ILE A 6 20.070 -7.802 -3.702 1.00 10.00 C ATOM 80 CG1 ILE A 6 19.053 -7.838 -2.544 1.00 10.00 C ATOM 81 CG2 ILE A 6 21.489 -7.589 -3.155 1.00 10.00 C ATOM 82 CD1 ILE A 6 19.252 -9.054 -1.633 1.00 10.00 C ATOM 0 H ILE A 6 19.387 -5.479 -3.109 1.00 10.00 H new ATOM 0 HA ILE A 6 20.659 -6.653 -5.383 1.00 10.00 H new ATOM 0 HB ILE A 6 19.984 -8.765 -4.204 1.00 10.00 H new ATOM 0 HG12 ILE A 6 19.145 -6.926 -1.954 1.00 10.00 H new ATOM 0 HG13 ILE A 6 18.042 -7.854 -2.951 1.00 10.00 H new ATOM 0 HG21 ILE A 6 21.713 -8.358 -2.415 1.00 10.00 H new ATOM 0 HG22 ILE A 6 22.207 -7.652 -3.972 1.00 10.00 H new ATOM 0 HG23 ILE A 6 21.555 -6.606 -2.688 1.00 10.00 H new ATOM 0 HD11 ILE A 6 18.512 -9.034 -0.833 1.00 10.00 H new ATOM 0 HD12 ILE A 6 19.133 -9.968 -2.215 1.00 10.00 H new ATOM 0 HD13 ILE A 6 20.253 -9.026 -1.202 1.00 10.00 H new ATOM 94 N ARG A 7 18.606 -6.353 -6.853 1.00 10.00 N ATOM 95 CA ARG A 7 17.643 -6.488 -7.941 1.00 10.00 C ATOM 96 C ARG A 7 17.769 -7.814 -8.710 1.00 10.00 C ATOM 97 O ARG A 7 17.893 -7.833 -9.932 1.00 10.00 O ATOM 98 CB ARG A 7 17.709 -5.253 -8.865 1.00 10.00 C ATOM 99 CG ARG A 7 19.097 -4.681 -9.221 1.00 10.00 C ATOM 100 CD ARG A 7 20.086 -5.612 -9.945 1.00 10.00 C ATOM 101 NE ARG A 7 20.567 -6.744 -9.135 1.00 10.00 N ATOM 102 CZ ARG A 7 21.419 -6.688 -8.100 1.00 10.00 C ATOM 103 NH1 ARG A 7 21.858 -5.513 -7.640 1.00 10.00 N ATOM 104 NH2 ARG A 7 21.807 -7.822 -7.508 1.00 10.00 N ATOM 0 H ARG A 7 19.311 -5.645 -7.057 1.00 10.00 H new ATOM 0 HA ARG A 7 16.650 -6.526 -7.494 1.00 10.00 H new ATOM 0 HB2 ARG A 7 17.205 -5.508 -9.797 1.00 10.00 H new ATOM 0 HB3 ARG A 7 17.131 -4.456 -8.397 1.00 10.00 H new ATOM 0 HG2 ARG A 7 18.947 -3.799 -9.844 1.00 10.00 H new ATOM 0 HG3 ARG A 7 19.568 -4.343 -8.298 1.00 10.00 H new ATOM 0 HD2 ARG A 7 19.607 -6.002 -10.843 1.00 10.00 H new ATOM 0 HD3 ARG A 7 20.945 -5.025 -10.272 1.00 10.00 H new ATOM 0 HE ARG A 7 20.215 -7.668 -9.387 1.00 10.00 H new ATOM 0 HH11 ARG A 7 21.546 -4.646 -8.076 1.00 10.00 H new ATOM 0 HH12 ARG A 7 22.506 -5.483 -6.852 1.00 10.00 H new ATOM 0 HH21 ARG A 7 21.456 -8.719 -7.844 1.00 10.00 H new ATOM 0 HH22 ARG A 7 22.454 -7.791 -6.720 1.00 10.00 H new ATOM 118 N ILE A 8 17.693 -8.938 -7.997 1.00 10.00 N ATOM 119 CA ILE A 8 17.723 -10.285 -8.554 1.00 10.00 C ATOM 120 C ILE A 8 16.539 -11.044 -7.938 1.00 10.00 C ATOM 121 O ILE A 8 16.703 -11.665 -6.892 1.00 10.00 O ATOM 122 CB ILE A 8 19.112 -10.926 -8.335 1.00 10.00 C ATOM 123 CG1 ILE A 8 19.135 -12.353 -8.913 1.00 10.00 C ATOM 124 CG2 ILE A 8 19.618 -10.898 -6.881 1.00 10.00 C ATOM 125 CD1 ILE A 8 20.548 -12.940 -8.981 1.00 10.00 C ATOM 0 H ILE A 8 17.606 -8.932 -6.981 1.00 10.00 H new ATOM 0 HA ILE A 8 17.598 -10.302 -9.637 1.00 10.00 H new ATOM 0 HB ILE A 8 19.818 -10.298 -8.878 1.00 10.00 H new ATOM 0 HG12 ILE A 8 18.507 -12.999 -8.300 1.00 10.00 H new ATOM 0 HG13 ILE A 8 18.702 -12.343 -9.913 1.00 10.00 H new ATOM 0 HG21 ILE A 8 20.599 -11.370 -6.828 1.00 10.00 H new ATOM 0 HG22 ILE A 8 19.694 -9.865 -6.542 1.00 10.00 H new ATOM 0 HG23 ILE A 8 18.920 -11.439 -6.242 1.00 10.00 H new ATOM 0 HD11 ILE A 8 20.504 -13.947 -9.396 1.00 10.00 H new ATOM 0 HD12 ILE A 8 21.173 -12.312 -9.617 1.00 10.00 H new ATOM 0 HD13 ILE A 8 20.974 -12.979 -7.979 1.00 10.00 H new ATOM 137 N PRO A 9 15.336 -10.957 -8.533 1.00 10.00 N ATOM 138 CA PRO A 9 14.115 -11.553 -8.009 1.00 10.00 C ATOM 139 C PRO A 9 14.265 -12.968 -7.456 1.00 10.00 C ATOM 140 O PRO A 9 14.939 -13.814 -8.043 1.00 10.00 O ATOM 141 CB PRO A 9 13.128 -11.536 -9.174 1.00 10.00 C ATOM 142 CG PRO A 9 13.514 -10.247 -9.897 1.00 10.00 C ATOM 143 CD PRO A 9 15.038 -10.230 -9.760 1.00 10.00 C ATOM 0 HA PRO A 9 13.785 -10.977 -7.144 1.00 10.00 H new ATOM 0 HB2 PRO A 9 13.237 -12.411 -9.814 1.00 10.00 H new ATOM 0 HB3 PRO A 9 12.093 -11.518 -8.832 1.00 10.00 H new ATOM 0 HG2 PRO A 9 13.201 -10.259 -10.941 1.00 10.00 H new ATOM 0 HG3 PRO A 9 13.056 -9.371 -9.437 1.00 10.00 H new ATOM 0 HD2 PRO A 9 15.513 -10.703 -10.620 1.00 10.00 H new ATOM 0 HD3 PRO A 9 15.414 -9.208 -9.710 1.00 10.00 H new ATOM 151 N THR A 10 13.615 -13.238 -6.324 1.00 10.00 N ATOM 152 CA THR A 10 13.574 -14.546 -5.694 1.00 10.00 C ATOM 153 C THR A 10 12.373 -14.532 -4.752 1.00 10.00 C ATOM 154 O THR A 10 12.054 -13.480 -4.194 1.00 10.00 O ATOM 155 CB THR A 10 14.877 -14.872 -4.939 1.00 10.00 C ATOM 156 OG1 THR A 10 16.005 -14.225 -5.500 1.00 10.00 O ATOM 157 CG2 THR A 10 15.140 -16.377 -4.960 1.00 10.00 C ATOM 0 H THR A 10 13.090 -12.530 -5.811 1.00 10.00 H new ATOM 0 HA THR A 10 13.477 -15.327 -6.448 1.00 10.00 H new ATOM 0 HB THR A 10 14.738 -14.513 -3.919 1.00 10.00 H new ATOM 0 HG1 THR A 10 16.808 -14.473 -4.997 1.00 10.00 H new ATOM 0 HG21 THR A 10 16.064 -16.592 -4.423 1.00 10.00 H new ATOM 0 HG22 THR A 10 14.311 -16.898 -4.480 1.00 10.00 H new ATOM 0 HG23 THR A 10 15.233 -16.716 -5.992 1.00 10.00 H new ATOM 165 N LEU A 11 11.702 -15.673 -4.589 1.00 10.00 N ATOM 166 CA LEU A 11 10.541 -15.790 -3.720 1.00 10.00 C ATOM 167 C LEU A 11 10.983 -16.168 -2.312 1.00 10.00 C ATOM 168 O LEU A 11 11.977 -16.872 -2.143 1.00 10.00 O ATOM 169 CB LEU A 11 9.556 -16.819 -4.285 1.00 10.00 C ATOM 170 CG LEU A 11 9.022 -16.419 -5.671 1.00 10.00 C ATOM 171 CD1 LEU A 11 8.044 -17.485 -6.173 1.00 10.00 C ATOM 172 CD2 LEU A 11 8.315 -15.061 -5.613 1.00 10.00 C ATOM 0 H LEU A 11 11.953 -16.542 -5.060 1.00 10.00 H new ATOM 0 HA LEU A 11 10.031 -14.828 -3.672 1.00 10.00 H new ATOM 0 HB2 LEU A 11 10.048 -17.789 -4.354 1.00 10.00 H new ATOM 0 HB3 LEU A 11 8.720 -16.934 -3.596 1.00 10.00 H new ATOM 0 HG LEU A 11 9.866 -16.341 -6.356 1.00 10.00 H new ATOM 0 HD11 LEU A 11 7.667 -17.199 -7.155 1.00 10.00 H new ATOM 0 HD12 LEU A 11 8.557 -18.444 -6.246 1.00 10.00 H new ATOM 0 HD13 LEU A 11 7.211 -17.572 -5.476 1.00 10.00 H new ATOM 0 HD21 LEU A 11 7.946 -14.800 -6.605 1.00 10.00 H new ATOM 0 HD22 LEU A 11 7.478 -15.116 -4.918 1.00 10.00 H new ATOM 0 HD23 LEU A 11 9.018 -14.299 -5.275 1.00 10.00 H new ATOM 184 N GLU A 12 10.239 -15.690 -1.314 1.00 10.00 N ATOM 185 CA GLU A 12 10.484 -15.936 0.092 1.00 10.00 C ATOM 186 C GLU A 12 9.144 -16.204 0.765 1.00 10.00 C ATOM 187 O GLU A 12 8.135 -15.579 0.421 1.00 10.00 O ATOM 188 CB GLU A 12 11.154 -14.713 0.730 1.00 10.00 C ATOM 189 CG GLU A 12 12.504 -14.395 0.074 1.00 10.00 C ATOM 190 CD GLU A 12 13.238 -13.269 0.794 1.00 10.00 C ATOM 191 OE1 GLU A 12 12.542 -12.362 1.301 1.00 10.00 O ATOM 192 OE2 GLU A 12 14.486 -13.326 0.810 1.00 10.00 O ATOM 0 H GLU A 12 9.422 -15.101 -1.477 1.00 10.00 H new ATOM 0 HA GLU A 12 11.147 -16.793 0.214 1.00 10.00 H new ATOM 0 HB2 GLU A 12 10.495 -13.850 0.641 1.00 10.00 H new ATOM 0 HB3 GLU A 12 11.301 -14.893 1.795 1.00 10.00 H new ATOM 0 HG2 GLU A 12 13.126 -15.290 0.072 1.00 10.00 H new ATOM 0 HG3 GLU A 12 12.344 -14.116 -0.967 1.00 10.00 H new ATOM 199 N GLU A 13 9.144 -17.108 1.745 1.00 10.00 N ATOM 200 CA GLU A 13 7.964 -17.397 2.529 1.00 10.00 C ATOM 201 C GLU A 13 7.751 -16.223 3.479 1.00 10.00 C ATOM 202 O GLU A 13 8.712 -15.652 3.998 1.00 10.00 O ATOM 203 CB GLU A 13 8.077 -18.750 3.255 1.00 10.00 C ATOM 204 CG GLU A 13 9.041 -18.824 4.455 1.00 10.00 C ATOM 205 CD GLU A 13 10.504 -19.001 4.045 1.00 10.00 C ATOM 206 OE1 GLU A 13 11.052 -18.058 3.434 1.00 10.00 O ATOM 207 OE2 GLU A 13 11.046 -20.086 4.341 1.00 10.00 O ATOM 0 H GLU A 13 9.964 -17.654 2.010 1.00 10.00 H new ATOM 0 HA GLU A 13 7.090 -17.503 1.886 1.00 10.00 H new ATOM 0 HB2 GLU A 13 7.083 -19.032 3.602 1.00 10.00 H new ATOM 0 HB3 GLU A 13 8.385 -19.500 2.527 1.00 10.00 H new ATOM 0 HG2 GLU A 13 8.944 -17.914 5.047 1.00 10.00 H new ATOM 0 HG3 GLU A 13 8.748 -19.654 5.097 1.00 10.00 H new ATOM 214 N CYS A 14 6.498 -15.850 3.726 1.00 10.00 N ATOM 215 CA CYS A 14 6.222 -14.763 4.639 1.00 10.00 C ATOM 216 C CYS A 14 6.403 -15.292 6.064 1.00 10.00 C ATOM 217 O CYS A 14 5.453 -15.762 6.693 1.00 10.00 O ATOM 218 CB CYS A 14 4.827 -14.208 4.387 1.00 10.00 C ATOM 219 SG CYS A 14 4.417 -12.781 5.425 1.00 10.00 S ATOM 0 H CYS A 14 5.673 -16.282 3.310 1.00 10.00 H new ATOM 0 HA CYS A 14 6.911 -13.932 4.487 1.00 10.00 H new ATOM 0 HB2 CYS A 14 4.743 -13.921 3.339 1.00 10.00 H new ATOM 0 HB3 CYS A 14 4.094 -14.996 4.561 1.00 10.00 H new ATOM 224 N ASP A 15 7.644 -15.224 6.550 1.00 10.00 N ATOM 225 CA ASP A 15 8.082 -15.641 7.880 1.00 10.00 C ATOM 226 C ASP A 15 7.081 -15.227 8.963 1.00 10.00 C ATOM 227 O ASP A 15 6.770 -16.007 9.861 1.00 10.00 O ATOM 228 CB ASP A 15 9.481 -15.073 8.170 1.00 10.00 C ATOM 229 CG ASP A 15 9.493 -13.555 8.369 1.00 10.00 C ATOM 230 OD1 ASP A 15 8.900 -12.857 7.515 1.00 10.00 O ATOM 231 OD2 ASP A 15 10.073 -13.119 9.385 1.00 10.00 O ATOM 0 H ASP A 15 8.414 -14.855 5.992 1.00 10.00 H new ATOM 0 HA ASP A 15 8.133 -16.730 7.897 1.00 10.00 H new ATOM 0 HB2 ASP A 15 9.881 -15.552 9.064 1.00 10.00 H new ATOM 0 HB3 ASP A 15 10.147 -15.329 7.346 1.00 10.00 H new ATOM 236 N VAL A 16 6.558 -14.005 8.853 1.00 10.00 N ATOM 237 CA VAL A 16 5.563 -13.436 9.749 1.00 10.00 C ATOM 238 C VAL A 16 4.357 -14.376 9.920 1.00 10.00 C ATOM 239 O VAL A 16 3.949 -14.631 11.050 1.00 10.00 O ATOM 240 CB VAL A 16 5.203 -12.032 9.231 1.00 10.00 C ATOM 241 CG1 VAL A 16 3.927 -11.477 9.858 1.00 10.00 C ATOM 242 CG2 VAL A 16 6.355 -11.059 9.519 1.00 10.00 C ATOM 0 H VAL A 16 6.829 -13.364 8.107 1.00 10.00 H new ATOM 0 HA VAL A 16 5.963 -13.328 10.757 1.00 10.00 H new ATOM 0 HB VAL A 16 5.033 -12.130 8.159 1.00 10.00 H new ATOM 0 HG11 VAL A 16 3.725 -10.485 9.454 1.00 10.00 H new ATOM 0 HG12 VAL A 16 3.092 -12.139 9.630 1.00 10.00 H new ATOM 0 HG13 VAL A 16 4.052 -11.410 10.939 1.00 10.00 H new ATOM 0 HG21 VAL A 16 6.094 -10.067 9.150 1.00 10.00 H new ATOM 0 HG22 VAL A 16 6.531 -11.012 10.594 1.00 10.00 H new ATOM 0 HG23 VAL A 16 7.259 -11.406 9.018 1.00 10.00 H new ATOM 252 N CYS A 17 3.823 -14.944 8.831 1.00 10.00 N ATOM 253 CA CYS A 17 2.742 -15.931 8.907 1.00 10.00 C ATOM 254 C CYS A 17 3.298 -17.351 8.766 1.00 10.00 C ATOM 255 O CYS A 17 2.566 -18.288 8.446 1.00 10.00 O ATOM 256 CB CYS A 17 1.664 -15.658 7.865 1.00 10.00 C ATOM 257 SG CYS A 17 2.142 -15.651 6.141 1.00 10.00 S ATOM 0 H CYS A 17 4.126 -14.733 7.880 1.00 10.00 H new ATOM 0 HA CYS A 17 2.276 -15.842 9.888 1.00 10.00 H new ATOM 0 HB2 CYS A 17 0.881 -16.406 7.991 1.00 10.00 H new ATOM 0 HB3 CYS A 17 1.219 -14.689 8.092 1.00 10.00 H new ATOM 262 N HIS A 18 4.603 -17.516 8.982 1.00 10.00 N ATOM 263 CA HIS A 18 5.305 -18.784 8.938 1.00 10.00 C ATOM 264 C HIS A 18 5.061 -19.475 7.597 1.00 10.00 C ATOM 265 O HIS A 18 4.944 -20.695 7.521 1.00 10.00 O ATOM 266 CB HIS A 18 4.900 -19.625 10.157 1.00 10.00 C ATOM 267 CG HIS A 18 4.833 -18.846 11.455 1.00 10.00 C ATOM 268 ND1 HIS A 18 5.505 -17.677 11.747 1.00 10.00 N ATOM 269 CD2 HIS A 18 3.943 -19.068 12.473 1.00 10.00 C ATOM 270 CE1 HIS A 18 5.027 -17.213 12.914 1.00 10.00 C ATOM 271 NE2 HIS A 18 4.075 -18.028 13.398 1.00 10.00 N ATOM 0 H HIS A 18 5.219 -16.733 9.201 1.00 10.00 H new ATOM 0 HA HIS A 18 6.383 -18.635 9.001 1.00 10.00 H new ATOM 0 HB2 HIS A 18 3.926 -20.075 9.966 1.00 10.00 H new ATOM 0 HB3 HIS A 18 5.612 -20.442 10.273 1.00 10.00 H new ATOM 0 HD1 HIS A 18 6.233 -17.243 11.180 1.00 10.00 H new ATOM 0 HD2 HIS A 18 3.259 -19.901 12.548 1.00 10.00 H new ATOM 0 HE1 HIS A 18 5.363 -16.307 13.397 1.00 10.00 H new ATOM 279 N GLY A 19 4.975 -18.674 6.531 1.00 10.00 N ATOM 280 CA GLY A 19 4.760 -19.175 5.187 1.00 10.00 C ATOM 281 C GLY A 19 3.345 -19.689 4.906 1.00 10.00 C ATOM 282 O GLY A 19 3.115 -20.182 3.802 1.00 10.00 O ATOM 0 H GLY A 19 5.054 -17.658 6.585 1.00 10.00 H new ATOM 0 HA2 GLY A 19 4.989 -18.379 4.478 1.00 10.00 H new ATOM 0 HA3 GLY A 19 5.468 -19.983 4.999 1.00 10.00 H new ATOM 286 N SER A 20 2.397 -19.597 5.852 1.00 10.00 N ATOM 287 CA SER A 20 1.045 -20.094 5.611 1.00 10.00 C ATOM 288 C SER A 20 0.243 -19.081 4.796 1.00 10.00 C ATOM 289 O SER A 20 -0.004 -19.280 3.608 1.00 10.00 O ATOM 290 CB SER A 20 0.331 -20.455 6.924 1.00 10.00 C ATOM 291 OG SER A 20 0.158 -19.340 7.787 1.00 10.00 O ATOM 0 H SER A 20 2.544 -19.189 6.775 1.00 10.00 H new ATOM 0 HA SER A 20 1.121 -21.013 5.030 1.00 10.00 H new ATOM 0 HB2 SER A 20 -0.644 -20.884 6.695 1.00 10.00 H new ATOM 0 HB3 SER A 20 0.904 -21.224 7.443 1.00 10.00 H new ATOM 0 HG SER A 20 1.033 -18.958 8.008 1.00 10.00 H new ATOM 297 N GLY A 21 -0.174 -18.009 5.472 1.00 10.00 N ATOM 298 CA GLY A 21 -0.982 -16.930 4.932 1.00 10.00 C ATOM 299 C GLY A 21 -1.824 -16.239 6.009 1.00 10.00 C ATOM 300 O GLY A 21 -2.272 -15.119 5.786 1.00 10.00 O ATOM 0 H GLY A 21 0.057 -17.869 6.456 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -0.332 -16.196 4.455 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -1.640 -17.324 4.157 1.00 10.00 H new ATOM 304 N ALA A 22 -2.061 -16.868 7.169 1.00 10.00 N ATOM 305 CA ALA A 22 -2.874 -16.250 8.219 1.00 10.00 C ATOM 306 C ALA A 22 -2.039 -15.284 9.066 1.00 10.00 C ATOM 307 O ALA A 22 -0.834 -15.470 9.177 1.00 10.00 O ATOM 308 CB ALA A 22 -3.537 -17.323 9.074 1.00 10.00 C ATOM 0 H ALA A 22 -1.704 -17.795 7.400 1.00 10.00 H new ATOM 0 HA ALA A 22 -3.662 -15.662 7.748 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -4.138 -16.850 9.850 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -4.177 -17.944 8.447 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.770 -17.944 9.537 1.00 10.00 H new ATOM 314 N LYS A 23 -2.640 -14.243 9.650 1.00 10.00 N ATOM 315 CA LYS A 23 -1.900 -13.246 10.429 1.00 10.00 C ATOM 316 C LYS A 23 -1.028 -13.901 11.525 1.00 10.00 C ATOM 317 O LYS A 23 -1.369 -14.977 12.013 1.00 10.00 O ATOM 318 CB LYS A 23 -2.843 -12.189 11.032 1.00 10.00 C ATOM 319 CG LYS A 23 -3.851 -11.538 10.079 1.00 10.00 C ATOM 320 CD LYS A 23 -4.816 -10.613 10.839 1.00 10.00 C ATOM 321 CE LYS A 23 -4.144 -9.389 11.477 1.00 10.00 C ATOM 322 NZ LYS A 23 -3.406 -8.581 10.489 1.00 10.00 N ATOM 0 H LYS A 23 -3.644 -14.068 9.597 1.00 10.00 H new ATOM 0 HA LYS A 23 -1.227 -12.739 9.737 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -3.398 -12.654 11.847 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -2.232 -11.400 11.471 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -3.320 -10.967 9.318 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -4.417 -12.312 9.560 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -5.590 -10.271 10.152 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -5.314 -11.188 11.620 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -4.902 -8.770 11.957 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -3.459 -9.719 12.259 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -3.084 -7.698 10.934 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -2.583 -9.117 10.147 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -4.030 -8.357 9.688 1.00 10.00 H new ATOM 336 N PRO A 24 0.098 -13.279 11.928 1.00 10.00 N ATOM 337 CA PRO A 24 1.007 -13.826 12.932 1.00 10.00 C ATOM 338 C PRO A 24 0.269 -14.255 14.203 1.00 10.00 C ATOM 339 O PRO A 24 -0.638 -13.557 14.663 1.00 10.00 O ATOM 340 CB PRO A 24 2.048 -12.735 13.217 1.00 10.00 C ATOM 341 CG PRO A 24 1.435 -11.467 12.626 1.00 10.00 C ATOM 342 CD PRO A 24 0.608 -12.002 11.461 1.00 10.00 C ATOM 0 HA PRO A 24 1.487 -14.732 12.562 1.00 10.00 H new ATOM 0 HB2 PRO A 24 2.230 -12.628 14.286 1.00 10.00 H new ATOM 0 HB3 PRO A 24 3.006 -12.968 12.752 1.00 10.00 H new ATOM 0 HG2 PRO A 24 0.816 -10.940 13.353 1.00 10.00 H new ATOM 0 HG3 PRO A 24 2.200 -10.766 12.291 1.00 10.00 H new ATOM 0 HD2 PRO A 24 -0.204 -11.321 11.206 1.00 10.00 H new ATOM 0 HD3 PRO A 24 1.217 -12.122 10.565 1.00 10.00 H new ATOM 350 N GLY A 25 0.635 -15.423 14.750 1.00 10.00 N ATOM 351 CA GLY A 25 0.020 -16.012 15.938 1.00 10.00 C ATOM 352 C GLY A 25 -1.344 -16.623 15.607 1.00 10.00 C ATOM 353 O GLY A 25 -1.621 -17.783 15.909 1.00 10.00 O ATOM 0 H GLY A 25 1.387 -15.995 14.365 1.00 10.00 H new ATOM 0 HA2 GLY A 25 0.676 -16.780 16.348 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -0.097 -15.249 16.707 1.00 10.00 H new ATOM 357 N THR A 26 -2.190 -15.821 14.968 1.00 10.00 N ATOM 358 CA THR A 26 -3.528 -16.117 14.506 1.00 10.00 C ATOM 359 C THR A 26 -3.444 -17.128 13.353 1.00 10.00 C ATOM 360 O THR A 26 -3.667 -16.797 12.193 1.00 10.00 O ATOM 361 CB THR A 26 -4.159 -14.778 14.079 1.00 10.00 C ATOM 362 OG1 THR A 26 -3.774 -13.730 14.957 1.00 10.00 O ATOM 363 CG2 THR A 26 -5.687 -14.854 14.075 1.00 10.00 C ATOM 0 H THR A 26 -1.925 -14.862 14.744 1.00 10.00 H new ATOM 0 HA THR A 26 -4.150 -16.570 15.278 1.00 10.00 H new ATOM 0 HB THR A 26 -3.800 -14.574 13.070 1.00 10.00 H new ATOM 0 HG1 THR A 26 -4.186 -12.890 14.664 1.00 10.00 H new ATOM 0 HG21 THR A 26 -6.098 -13.892 13.769 1.00 10.00 H new ATOM 0 HG22 THR A 26 -6.011 -15.626 13.377 1.00 10.00 H new ATOM 0 HG23 THR A 26 -6.042 -15.098 15.076 1.00 10.00 H new ATOM 371 N GLN A 27 -3.080 -18.371 13.675 1.00 10.00 N ATOM 372 CA GLN A 27 -2.846 -19.417 12.691 1.00 10.00 C ATOM 373 C GLN A 27 -4.064 -19.661 11.785 1.00 10.00 C ATOM 374 O GLN A 27 -5.194 -19.346 12.171 1.00 10.00 O ATOM 375 CB GLN A 27 -2.465 -20.713 13.424 1.00 10.00 C ATOM 376 CG GLN A 27 -3.546 -21.177 14.417 1.00 10.00 C ATOM 377 CD GLN A 27 -3.600 -22.697 14.518 1.00 10.00 C ATOM 378 OE1 GLN A 27 -3.064 -23.284 15.452 1.00 10.00 O ATOM 379 NE2 GLN A 27 -4.248 -23.352 13.558 1.00 10.00 N ATOM 0 H GLN A 27 -2.939 -18.678 14.638 1.00 10.00 H new ATOM 0 HA GLN A 27 -2.034 -19.091 12.041 1.00 10.00 H new ATOM 0 HB2 GLN A 27 -2.289 -21.501 12.692 1.00 10.00 H new ATOM 0 HB3 GLN A 27 -1.528 -20.560 13.959 1.00 10.00 H new ATOM 0 HG2 GLN A 27 -3.343 -20.753 15.401 1.00 10.00 H new ATOM 0 HG3 GLN A 27 -4.518 -20.798 14.101 1.00 10.00 H new ATOM 0 HE21 GLN A 27 -4.684 -22.836 12.794 1.00 10.00 H new ATOM 0 HE22 GLN A 27 -4.309 -24.370 13.587 1.00 10.00 H new ATOM 388 N PRO A 28 -3.863 -20.251 10.590 1.00 10.00 N ATOM 389 CA PRO A 28 -4.967 -20.586 9.710 1.00 10.00 C ATOM 390 C PRO A 28 -5.972 -21.447 10.468 1.00 10.00 C ATOM 391 O PRO A 28 -5.586 -22.247 11.323 1.00 10.00 O ATOM 392 CB PRO A 28 -4.362 -21.352 8.537 1.00 10.00 C ATOM 393 CG PRO A 28 -2.898 -20.923 8.527 1.00 10.00 C ATOM 394 CD PRO A 28 -2.602 -20.689 10.007 1.00 10.00 C ATOM 0 HA PRO A 28 -5.495 -19.701 9.355 1.00 10.00 H new ATOM 0 HB2 PRO A 28 -4.461 -22.429 8.671 1.00 10.00 H new ATOM 0 HB3 PRO A 28 -4.857 -21.101 7.599 1.00 10.00 H new ATOM 0 HG2 PRO A 28 -2.254 -21.693 8.103 1.00 10.00 H new ATOM 0 HG3 PRO A 28 -2.746 -20.020 7.937 1.00 10.00 H new ATOM 0 HD2 PRO A 28 -2.244 -21.601 10.485 1.00 10.00 H new ATOM 0 HD3 PRO A 28 -1.826 -19.935 10.138 1.00 10.00 H new ATOM 402 N GLN A 29 -7.256 -21.275 10.171 1.00 10.00 N ATOM 403 CA GLN A 29 -8.293 -22.004 10.872 1.00 10.00 C ATOM 404 C GLN A 29 -8.464 -23.369 10.209 1.00 10.00 C ATOM 405 O GLN A 29 -8.701 -23.437 9.004 1.00 10.00 O ATOM 406 CB GLN A 29 -9.581 -21.176 10.856 1.00 10.00 C ATOM 407 CG GLN A 29 -9.371 -19.755 11.405 1.00 10.00 C ATOM 408 CD GLN A 29 -9.037 -19.731 12.893 1.00 10.00 C ATOM 409 OE1 GLN A 29 -9.942 -19.741 13.721 1.00 10.00 O ATOM 410 NE2 GLN A 29 -7.760 -19.667 13.262 1.00 10.00 N ATOM 0 H GLN A 29 -7.597 -20.638 9.451 1.00 10.00 H new ATOM 0 HA GLN A 29 -8.026 -22.173 11.915 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -9.959 -21.116 9.835 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -10.343 -21.683 11.448 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -8.566 -19.273 10.850 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -10.273 -19.168 11.232 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -7.025 -19.660 12.555 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -7.517 -19.625 14.252 1.00 10.00 H new ATOM 419 N THR A 30 -8.315 -24.454 10.972 1.00 10.00 N ATOM 420 CA THR A 30 -8.458 -25.815 10.483 1.00 10.00 C ATOM 421 C THR A 30 -9.777 -25.952 9.726 1.00 10.00 C ATOM 422 O THR A 30 -10.831 -25.704 10.309 1.00 10.00 O ATOM 423 CB THR A 30 -8.451 -26.750 11.699 1.00 10.00 C ATOM 424 OG1 THR A 30 -7.461 -26.307 12.610 1.00 10.00 O ATOM 425 CG2 THR A 30 -8.166 -28.193 11.277 1.00 10.00 C ATOM 0 H THR A 30 -8.087 -24.404 11.965 1.00 10.00 H new ATOM 0 HA THR A 30 -7.643 -26.069 9.805 1.00 10.00 H new ATOM 0 HB THR A 30 -9.432 -26.727 12.173 1.00 10.00 H new ATOM 0 HG1 THR A 30 -7.449 -26.897 13.392 1.00 10.00 H new ATOM 0 HG21 THR A 30 -8.166 -28.836 12.157 1.00 10.00 H new ATOM 0 HG22 THR A 30 -8.936 -28.528 10.582 1.00 10.00 H new ATOM 0 HG23 THR A 30 -7.192 -28.244 10.791 1.00 10.00 H new ATOM 433 N CYS A 31 -9.748 -26.339 8.448 1.00 10.00 N ATOM 434 CA CYS A 31 -10.985 -26.482 7.696 1.00 10.00 C ATOM 435 C CYS A 31 -11.813 -27.615 8.313 1.00 10.00 C ATOM 436 O CYS A 31 -11.356 -28.760 8.303 1.00 10.00 O ATOM 437 CB CYS A 31 -10.692 -26.773 6.228 1.00 10.00 C ATOM 438 SG CYS A 31 -12.199 -26.777 5.222 1.00 10.00 S ATOM 0 H CYS A 31 -8.898 -26.554 7.926 1.00 10.00 H new ATOM 0 HA CYS A 31 -11.548 -25.550 7.744 1.00 10.00 H new ATOM 0 HB2 CYS A 31 -10.000 -26.025 5.841 1.00 10.00 H new ATOM 0 HB3 CYS A 31 -10.196 -27.740 6.142 1.00 10.00 H new ATOM 443 N PRO A 32 -13.013 -27.347 8.853 1.00 10.00 N ATOM 444 CA PRO A 32 -13.805 -28.379 9.494 1.00 10.00 C ATOM 445 C PRO A 32 -14.349 -29.367 8.462 1.00 10.00 C ATOM 446 O PRO A 32 -14.380 -30.568 8.722 1.00 10.00 O ATOM 447 CB PRO A 32 -14.899 -27.628 10.254 1.00 10.00 C ATOM 448 CG PRO A 32 -15.103 -26.360 9.425 1.00 10.00 C ATOM 449 CD PRO A 32 -13.694 -26.060 8.911 1.00 10.00 C ATOM 0 HA PRO A 32 -13.224 -28.995 10.180 1.00 10.00 H new ATOM 0 HB2 PRO A 32 -15.815 -28.215 10.322 1.00 10.00 H new ATOM 0 HB3 PRO A 32 -14.592 -27.396 11.274 1.00 10.00 H new ATOM 0 HG2 PRO A 32 -15.806 -26.520 8.608 1.00 10.00 H new ATOM 0 HG3 PRO A 32 -15.496 -25.542 10.028 1.00 10.00 H new ATOM 0 HD2 PRO A 32 -13.728 -25.590 7.928 1.00 10.00 H new ATOM 0 HD3 PRO A 32 -13.173 -25.371 9.576 1.00 10.00 H new ATOM 457 N THR A 33 -14.756 -28.873 7.290 1.00 10.00 N ATOM 458 CA THR A 33 -15.316 -29.633 6.183 1.00 10.00 C ATOM 459 C THR A 33 -14.531 -30.913 5.868 1.00 10.00 C ATOM 460 O THR A 33 -15.129 -31.944 5.574 1.00 10.00 O ATOM 461 CB THR A 33 -15.387 -28.698 4.963 1.00 10.00 C ATOM 462 OG1 THR A 33 -15.501 -27.355 5.406 1.00 10.00 O ATOM 463 CG2 THR A 33 -16.580 -29.037 4.066 1.00 10.00 C ATOM 0 H THR A 33 -14.698 -27.876 7.082 1.00 10.00 H new ATOM 0 HA THR A 33 -16.312 -29.979 6.461 1.00 10.00 H new ATOM 0 HB THR A 33 -14.475 -28.830 4.381 1.00 10.00 H new ATOM 0 HG1 THR A 33 -14.615 -26.935 5.409 1.00 10.00 H new ATOM 0 HG21 THR A 33 -16.600 -28.357 3.214 1.00 10.00 H new ATOM 0 HG22 THR A 33 -16.487 -30.063 3.709 1.00 10.00 H new ATOM 0 HG23 THR A 33 -17.504 -28.933 4.635 1.00 10.00 H new ATOM 471 N CYS A 34 -13.196 -30.843 5.933 1.00 10.00 N ATOM 472 CA CYS A 34 -12.307 -31.978 5.693 1.00 10.00 C ATOM 473 C CYS A 34 -11.526 -32.357 6.953 1.00 10.00 C ATOM 474 O CYS A 34 -10.518 -33.051 6.850 1.00 10.00 O ATOM 475 CB CYS A 34 -11.360 -31.674 4.527 1.00 10.00 C ATOM 476 SG CYS A 34 -10.531 -30.071 4.545 1.00 10.00 S ATOM 0 H CYS A 34 -12.699 -29.981 6.158 1.00 10.00 H new ATOM 0 HA CYS A 34 -12.922 -32.837 5.425 1.00 10.00 H new ATOM 0 HB2 CYS A 34 -10.596 -32.451 4.499 1.00 10.00 H new ATOM 0 HB3 CYS A 34 -11.928 -31.752 3.600 1.00 10.00 H new ATOM 481 N HIS A 35 -11.958 -31.904 8.134 1.00 10.00 N ATOM 482 CA HIS A 35 -11.294 -32.177 9.406 1.00 10.00 C ATOM 483 C HIS A 35 -9.785 -31.930 9.275 1.00 10.00 C ATOM 484 O HIS A 35 -8.968 -32.791 9.599 1.00 10.00 O ATOM 485 CB HIS A 35 -11.599 -33.612 9.871 1.00 10.00 C ATOM 486 CG HIS A 35 -13.062 -33.966 10.008 1.00 10.00 C ATOM 487 ND1 HIS A 35 -14.145 -33.133 9.826 1.00 10.00 N ATOM 488 CD2 HIS A 35 -13.551 -35.205 10.327 1.00 10.00 C ATOM 489 CE1 HIS A 35 -15.256 -33.859 10.029 1.00 10.00 C ATOM 490 NE2 HIS A 35 -14.947 -35.128 10.340 1.00 10.00 N ATOM 0 H HIS A 35 -12.794 -31.328 8.231 1.00 10.00 H new ATOM 0 HA HIS A 35 -11.678 -31.497 10.167 1.00 10.00 H new ATOM 0 HB2 HIS A 35 -11.142 -34.306 9.166 1.00 10.00 H new ATOM 0 HB3 HIS A 35 -11.115 -33.771 10.835 1.00 10.00 H new ATOM 0 HD1 HIS A 35 -14.109 -32.143 9.581 1.00 10.00 H new ATOM 0 HD2 HIS A 35 -12.962 -36.087 10.532 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -16.262 -33.474 9.952 1.00 10.00 H new ATOM 498 N GLY A 36 -9.418 -30.764 8.732 1.00 10.00 N ATOM 499 CA GLY A 36 -8.037 -30.355 8.492 1.00 10.00 C ATOM 500 C GLY A 36 -7.228 -31.286 7.580 1.00 10.00 C ATOM 501 O GLY A 36 -6.042 -31.046 7.374 1.00 10.00 O ATOM 0 H GLY A 36 -10.097 -30.061 8.440 1.00 10.00 H new ATOM 0 HA2 GLY A 36 -8.042 -29.357 8.053 1.00 10.00 H new ATOM 0 HA3 GLY A 36 -7.526 -30.279 9.452 1.00 10.00 H new ATOM 505 N SER A 37 -7.837 -32.342 7.034 1.00 10.00 N ATOM 506 CA SER A 37 -7.170 -33.351 6.226 1.00 10.00 C ATOM 507 C SER A 37 -7.163 -33.016 4.731 1.00 10.00 C ATOM 508 O SER A 37 -6.690 -33.813 3.927 1.00 10.00 O ATOM 509 CB SER A 37 -7.824 -34.706 6.515 1.00 10.00 C ATOM 510 OG SER A 37 -7.870 -34.934 7.916 1.00 10.00 O ATOM 0 H SER A 37 -8.835 -32.518 7.149 1.00 10.00 H new ATOM 0 HA SER A 37 -6.116 -33.384 6.503 1.00 10.00 H new ATOM 0 HB2 SER A 37 -8.832 -34.728 6.101 1.00 10.00 H new ATOM 0 HB3 SER A 37 -7.262 -35.502 6.027 1.00 10.00 H new ATOM 0 HG SER A 37 -8.394 -34.226 8.346 1.00 10.00 H new ATOM 516 N GLY A 38 -7.694 -31.852 4.341 1.00 10.00 N ATOM 517 CA GLY A 38 -7.678 -31.377 2.960 1.00 10.00 C ATOM 518 C GLY A 38 -8.612 -32.111 1.992 1.00 10.00 C ATOM 519 O GLY A 38 -8.788 -31.652 0.864 1.00 10.00 O ATOM 0 H GLY A 38 -8.152 -31.208 4.986 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -7.940 -30.319 2.956 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -6.659 -31.454 2.581 1.00 10.00 H new ATOM 523 N GLN A 39 -9.230 -33.221 2.403 1.00 10.00 N ATOM 524 CA GLN A 39 -10.123 -34.014 1.572 1.00 10.00 C ATOM 525 C GLN A 39 -11.472 -34.177 2.263 1.00 10.00 C ATOM 526 O GLN A 39 -11.527 -34.565 3.429 1.00 10.00 O ATOM 527 CB GLN A 39 -9.462 -35.356 1.214 1.00 10.00 C ATOM 528 CG GLN A 39 -9.043 -36.236 2.409 1.00 10.00 C ATOM 529 CD GLN A 39 -9.941 -37.458 2.606 1.00 10.00 C ATOM 530 OE1 GLN A 39 -9.588 -38.567 2.212 1.00 10.00 O ATOM 531 NE2 GLN A 39 -11.106 -37.284 3.218 1.00 10.00 N ATOM 0 H GLN A 39 -9.117 -33.597 3.344 1.00 10.00 H new ATOM 0 HA GLN A 39 -10.312 -33.498 0.631 1.00 10.00 H new ATOM 0 HB2 GLN A 39 -10.153 -35.925 0.592 1.00 10.00 H new ATOM 0 HB3 GLN A 39 -8.579 -35.155 0.608 1.00 10.00 H new ATOM 0 HG2 GLN A 39 -8.015 -36.569 2.263 1.00 10.00 H new ATOM 0 HG3 GLN A 39 -9.057 -35.634 3.317 1.00 10.00 H new ATOM 0 HE21 GLN A 39 -11.380 -36.355 3.538 1.00 10.00 H new ATOM 0 HE22 GLN A 39 -11.727 -38.079 3.369 1.00 10.00 H new ATOM 540 N VAL A 40 -12.557 -33.911 1.539 1.00 10.00 N ATOM 541 CA VAL A 40 -13.915 -34.103 2.021 1.00 10.00 C ATOM 542 C VAL A 40 -14.294 -35.540 1.696 1.00 10.00 C ATOM 543 O VAL A 40 -13.915 -36.026 0.633 1.00 10.00 O ATOM 544 CB VAL A 40 -14.897 -33.152 1.313 1.00 10.00 C ATOM 545 CG1 VAL A 40 -14.732 -31.712 1.790 1.00 10.00 C ATOM 546 CG2 VAL A 40 -14.759 -33.185 -0.215 1.00 10.00 C ATOM 0 H VAL A 40 -12.512 -33.550 0.586 1.00 10.00 H new ATOM 0 HA VAL A 40 -13.965 -33.896 3.090 1.00 10.00 H new ATOM 0 HB VAL A 40 -15.890 -33.514 1.578 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -15.442 -31.072 1.267 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -14.918 -31.660 2.863 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -13.717 -31.374 1.581 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -15.476 -32.495 -0.660 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -13.748 -32.889 -0.496 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -14.955 -34.195 -0.576 1.00 10.00 H new ATOM 556 N GLN A 41 -15.059 -36.208 2.562 1.00 10.00 N ATOM 557 CA GLN A 41 -15.536 -37.552 2.283 1.00 10.00 C ATOM 558 C GLN A 41 -16.966 -37.444 1.760 1.00 10.00 C ATOM 559 O GLN A 41 -17.889 -37.114 2.510 1.00 10.00 O ATOM 560 CB GLN A 41 -15.413 -38.445 3.516 1.00 10.00 C ATOM 561 CG GLN A 41 -15.632 -39.919 3.129 1.00 10.00 C ATOM 562 CD GLN A 41 -15.414 -40.863 4.308 1.00 10.00 C ATOM 563 OE1 GLN A 41 -15.419 -40.448 5.462 1.00 10.00 O ATOM 564 NE2 GLN A 41 -15.219 -42.148 4.031 1.00 10.00 N ATOM 0 H GLN A 41 -15.359 -35.834 3.462 1.00 10.00 H new ATOM 0 HA GLN A 41 -14.922 -38.030 1.520 1.00 10.00 H new ATOM 0 HB2 GLN A 41 -14.428 -38.322 3.966 1.00 10.00 H new ATOM 0 HB3 GLN A 41 -16.146 -38.145 4.265 1.00 10.00 H new ATOM 0 HG2 GLN A 41 -16.645 -40.046 2.747 1.00 10.00 H new ATOM 0 HG3 GLN A 41 -14.951 -40.186 2.321 1.00 10.00 H new ATOM 0 HE21 GLN A 41 -15.220 -42.467 3.062 1.00 10.00 H new ATOM 0 HE22 GLN A 41 -15.069 -42.816 4.787 1.00 10.00 H new ATOM 573 N MET A 42 -17.151 -37.742 0.475 1.00 10.00 N ATOM 574 CA MET A 42 -18.436 -37.751 -0.192 1.00 10.00 C ATOM 575 C MET A 42 -19.169 -39.022 0.244 1.00 10.00 C ATOM 576 O MET A 42 -19.288 -39.992 -0.501 1.00 10.00 O ATOM 577 CB MET A 42 -18.221 -37.660 -1.711 1.00 10.00 C ATOM 578 CG MET A 42 -19.545 -37.431 -2.448 1.00 10.00 C ATOM 579 SD MET A 42 -20.367 -35.861 -2.078 1.00 10.00 S ATOM 580 CE MET A 42 -21.943 -36.152 -2.904 1.00 10.00 C ATOM 0 H MET A 42 -16.380 -37.991 -0.144 1.00 10.00 H new ATOM 0 HA MET A 42 -19.051 -36.893 0.080 1.00 10.00 H new ATOM 0 HB2 MET A 42 -17.532 -36.845 -1.935 1.00 10.00 H new ATOM 0 HB3 MET A 42 -17.756 -38.578 -2.070 1.00 10.00 H new ATOM 0 HG2 MET A 42 -19.360 -37.482 -3.521 1.00 10.00 H new ATOM 0 HG3 MET A 42 -20.225 -38.246 -2.203 1.00 10.00 H new ATOM 0 HE1 MET A 42 -22.585 -35.280 -2.780 1.00 10.00 H new ATOM 0 HE2 MET A 42 -21.770 -36.327 -3.966 1.00 10.00 H new ATOM 0 HE3 MET A 42 -22.428 -37.025 -2.466 1.00 10.00 H new ATOM 590 N ARG A 43 -19.634 -39.005 1.492 1.00 10.00 N ATOM 591 CA ARG A 43 -20.329 -40.082 2.185 1.00 10.00 C ATOM 592 C ARG A 43 -21.734 -40.344 1.628 1.00 10.00 C ATOM 593 O ARG A 43 -22.721 -40.348 2.361 1.00 10.00 O ATOM 594 CB ARG A 43 -20.297 -39.797 3.695 1.00 10.00 C ATOM 595 CG ARG A 43 -20.919 -38.446 4.090 1.00 10.00 C ATOM 596 CD ARG A 43 -20.152 -37.834 5.268 1.00 10.00 C ATOM 597 NE ARG A 43 -20.652 -36.492 5.588 1.00 10.00 N ATOM 598 CZ ARG A 43 -20.274 -35.353 4.986 1.00 10.00 C ATOM 599 NH1 ARG A 43 -19.389 -35.350 3.981 1.00 10.00 N ATOM 600 NH2 ARG A 43 -20.799 -34.196 5.404 1.00 10.00 N ATOM 0 H ARG A 43 -19.526 -38.181 2.084 1.00 10.00 H new ATOM 0 HA ARG A 43 -19.807 -41.022 2.006 1.00 10.00 H new ATOM 0 HB2 ARG A 43 -20.826 -40.595 4.216 1.00 10.00 H new ATOM 0 HB3 ARG A 43 -19.263 -39.823 4.037 1.00 10.00 H new ATOM 0 HG2 ARG A 43 -20.897 -37.765 3.239 1.00 10.00 H new ATOM 0 HG3 ARG A 43 -21.966 -38.585 4.361 1.00 10.00 H new ATOM 0 HD2 ARG A 43 -20.248 -38.478 6.142 1.00 10.00 H new ATOM 0 HD3 ARG A 43 -19.091 -37.781 5.026 1.00 10.00 H new ATOM 0 HE ARG A 43 -21.346 -36.418 6.332 1.00 10.00 H new ATOM 0 HH11 ARG A 43 -18.984 -36.228 3.655 1.00 10.00 H new ATOM 0 HH12 ARG A 43 -19.119 -34.470 3.541 1.00 10.00 H new ATOM 0 HH21 ARG A 43 -21.475 -34.189 6.168 1.00 10.00 H new ATOM 0 HH22 ARG A 43 -20.524 -33.321 4.959 1.00 10.00 H new ATOM 614 N GLN A 44 -21.822 -40.612 0.323 1.00 10.00 N ATOM 615 CA GLN A 44 -23.057 -40.931 -0.377 1.00 10.00 C ATOM 616 C GLN A 44 -23.401 -42.400 -0.107 1.00 10.00 C ATOM 617 O GLN A 44 -23.386 -43.248 -1.000 1.00 10.00 O ATOM 618 CB GLN A 44 -22.904 -40.569 -1.863 1.00 10.00 C ATOM 619 CG GLN A 44 -21.840 -41.407 -2.590 1.00 10.00 C ATOM 620 CD GLN A 44 -20.977 -40.582 -3.539 1.00 10.00 C ATOM 621 OE1 GLN A 44 -21.485 -39.796 -4.331 1.00 10.00 O ATOM 622 NE2 GLN A 44 -19.660 -40.737 -3.457 1.00 10.00 N ATOM 0 H GLN A 44 -21.007 -40.612 -0.290 1.00 10.00 H new ATOM 0 HA GLN A 44 -23.901 -40.344 -0.016 1.00 10.00 H new ATOM 0 HB2 GLN A 44 -23.864 -40.702 -2.362 1.00 10.00 H new ATOM 0 HB3 GLN A 44 -22.644 -39.514 -1.947 1.00 10.00 H new ATOM 0 HG2 GLN A 44 -21.199 -41.890 -1.852 1.00 10.00 H new ATOM 0 HG3 GLN A 44 -22.332 -42.200 -3.152 1.00 10.00 H new ATOM 0 HE21 GLN A 44 -19.265 -41.398 -2.789 1.00 10.00 H new ATOM 0 HE22 GLN A 44 -19.044 -40.195 -4.063 1.00 10.00 H new ATOM 631 N GLY A 45 -23.673 -42.703 1.162 1.00 10.00 N ATOM 632 CA GLY A 45 -23.958 -44.051 1.608 1.00 10.00 C ATOM 633 C GLY A 45 -22.721 -44.930 1.430 1.00 10.00 C ATOM 634 O GLY A 45 -21.642 -44.590 1.913 1.00 10.00 O ATOM 0 H GLY A 45 -23.700 -42.009 1.909 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -24.260 -44.041 2.655 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -24.792 -44.463 1.040 1.00 10.00 H new ATOM 638 N PHE A 46 -22.882 -46.064 0.747 1.00 10.00 N ATOM 639 CA PHE A 46 -21.831 -47.049 0.532 1.00 10.00 C ATOM 640 C PHE A 46 -20.560 -46.454 -0.076 1.00 10.00 C ATOM 641 O PHE A 46 -19.453 -46.746 0.373 1.00 10.00 O ATOM 642 CB PHE A 46 -22.356 -48.172 -0.376 1.00 10.00 C ATOM 643 CG PHE A 46 -23.732 -48.689 -0.003 1.00 10.00 C ATOM 644 CD1 PHE A 46 -23.916 -49.387 1.205 1.00 10.00 C ATOM 645 CD2 PHE A 46 -24.843 -48.398 -0.819 1.00 10.00 C ATOM 646 CE1 PHE A 46 -25.203 -49.799 1.592 1.00 10.00 C ATOM 647 CE2 PHE A 46 -26.129 -48.810 -0.430 1.00 10.00 C ATOM 648 CZ PHE A 46 -26.310 -49.510 0.775 1.00 10.00 C ATOM 0 H PHE A 46 -23.770 -46.326 0.319 1.00 10.00 H new ATOM 0 HA PHE A 46 -21.560 -47.439 1.513 1.00 10.00 H new ATOM 0 HB2 PHE A 46 -22.384 -47.809 -1.403 1.00 10.00 H new ATOM 0 HB3 PHE A 46 -21.650 -49.002 -0.351 1.00 10.00 H new ATOM 0 HD1 PHE A 46 -23.067 -49.606 1.836 1.00 10.00 H new ATOM 0 HD2 PHE A 46 -24.706 -47.858 -1.744 1.00 10.00 H new ATOM 0 HE1 PHE A 46 -25.342 -50.338 2.518 1.00 10.00 H new ATOM 0 HE2 PHE A 46 -26.979 -48.588 -1.058 1.00 10.00 H new ATOM 0 HZ PHE A 46 -27.299 -49.826 1.073 1.00 10.00 H new ATOM 658 N PHE A 47 -20.710 -45.655 -1.133 1.00 10.00 N ATOM 659 CA PHE A 47 -19.584 -45.125 -1.894 1.00 10.00 C ATOM 660 C PHE A 47 -18.955 -43.926 -1.185 1.00 10.00 C ATOM 661 O PHE A 47 -18.865 -42.836 -1.750 1.00 10.00 O ATOM 662 CB PHE A 47 -20.071 -44.786 -3.312 1.00 10.00 C ATOM 663 CG PHE A 47 -21.011 -45.827 -3.894 1.00 10.00 C ATOM 664 CD1 PHE A 47 -20.514 -47.095 -4.248 1.00 10.00 C ATOM 665 CD2 PHE A 47 -22.402 -45.599 -3.892 1.00 10.00 C ATOM 666 CE1 PHE A 47 -21.401 -48.125 -4.610 1.00 10.00 C ATOM 667 CE2 PHE A 47 -23.286 -46.627 -4.259 1.00 10.00 C ATOM 668 CZ PHE A 47 -22.787 -47.892 -4.614 1.00 10.00 C ATOM 0 H PHE A 47 -21.620 -45.358 -1.485 1.00 10.00 H new ATOM 0 HA PHE A 47 -18.795 -45.873 -1.968 1.00 10.00 H new ATOM 0 HB2 PHE A 47 -20.577 -43.821 -3.293 1.00 10.00 H new ATOM 0 HB3 PHE A 47 -19.207 -44.680 -3.969 1.00 10.00 H new ATOM 0 HD1 PHE A 47 -19.450 -47.278 -4.242 1.00 10.00 H new ATOM 0 HD2 PHE A 47 -22.789 -44.632 -3.608 1.00 10.00 H new ATOM 0 HE1 PHE A 47 -21.017 -49.096 -4.885 1.00 10.00 H new ATOM 0 HE2 PHE A 47 -24.351 -46.445 -4.268 1.00 10.00 H new ATOM 0 HZ PHE A 47 -23.468 -48.684 -4.889 1.00 10.00 H new ATOM 678 N ALA A 48 -18.500 -44.128 0.053 1.00 10.00 N ATOM 679 CA ALA A 48 -17.924 -43.074 0.873 1.00 10.00 C ATOM 680 C ALA A 48 -16.478 -42.757 0.489 1.00 10.00 C ATOM 681 O ALA A 48 -15.579 -42.818 1.328 1.00 10.00 O ATOM 682 CB ALA A 48 -18.072 -43.451 2.351 1.00 10.00 C ATOM 0 H ALA A 48 -18.524 -45.038 0.514 1.00 10.00 H new ATOM 0 HA ALA A 48 -18.472 -42.150 0.692 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -17.642 -42.665 2.972 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -19.128 -43.567 2.593 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -17.551 -44.389 2.541 1.00 10.00 H new ATOM 688 N VAL A 49 -16.266 -42.362 -0.768 1.00 10.00 N ATOM 689 CA VAL A 49 -14.966 -41.924 -1.262 1.00 10.00 C ATOM 690 C VAL A 49 -14.811 -40.435 -0.979 1.00 10.00 C ATOM 691 O VAL A 49 -15.730 -39.805 -0.459 1.00 10.00 O ATOM 692 CB VAL A 49 -14.782 -42.261 -2.750 1.00 10.00 C ATOM 693 CG1 VAL A 49 -14.425 -43.742 -2.855 1.00 10.00 C ATOM 694 CG2 VAL A 49 -16.003 -41.921 -3.615 1.00 10.00 C ATOM 0 H VAL A 49 -17.001 -42.338 -1.475 1.00 10.00 H new ATOM 0 HA VAL A 49 -14.176 -42.463 -0.739 1.00 10.00 H new ATOM 0 HB VAL A 49 -13.980 -41.638 -3.145 1.00 10.00 H new ATOM 0 HG11 VAL A 49 -14.288 -44.010 -3.903 1.00 10.00 H new ATOM 0 HG12 VAL A 49 -13.502 -43.933 -2.308 1.00 10.00 H new ATOM 0 HG13 VAL A 49 -15.230 -44.341 -2.429 1.00 10.00 H new ATOM 0 HG21 VAL A 49 -15.799 -42.186 -4.652 1.00 10.00 H new ATOM 0 HG22 VAL A 49 -16.868 -42.482 -3.260 1.00 10.00 H new ATOM 0 HG23 VAL A 49 -16.211 -40.853 -3.548 1.00 10.00 H new ATOM 704 N GLN A 50 -13.642 -39.872 -1.286 1.00 10.00 N ATOM 705 CA GLN A 50 -13.342 -38.479 -1.009 1.00 10.00 C ATOM 706 C GLN A 50 -13.123 -37.641 -2.263 1.00 10.00 C ATOM 707 O GLN A 50 -13.006 -38.164 -3.369 1.00 10.00 O ATOM 708 CB GLN A 50 -12.131 -38.402 -0.070 1.00 10.00 C ATOM 709 CG GLN A 50 -10.860 -38.951 -0.723 1.00 10.00 C ATOM 710 CD GLN A 50 -10.730 -40.450 -0.494 1.00 10.00 C ATOM 711 OE1 GLN A 50 -11.184 -41.246 -1.312 1.00 10.00 O ATOM 712 NE2 GLN A 50 -10.149 -40.842 0.634 1.00 10.00 N ATOM 0 H GLN A 50 -12.878 -40.377 -1.735 1.00 10.00 H new ATOM 0 HA GLN A 50 -14.217 -38.046 -0.525 1.00 10.00 H new ATOM 0 HB2 GLN A 50 -11.967 -37.366 0.226 1.00 10.00 H new ATOM 0 HB3 GLN A 50 -12.342 -38.964 0.840 1.00 10.00 H new ATOM 0 HG2 GLN A 50 -10.878 -38.744 -1.793 1.00 10.00 H new ATOM 0 HG3 GLN A 50 -9.988 -38.441 -0.314 1.00 10.00 H new ATOM 0 HE21 GLN A 50 -9.785 -40.149 1.288 1.00 10.00 H new ATOM 0 HE22 GLN A 50 -10.067 -41.836 0.847 1.00 10.00 H new ATOM 721 N GLN A 51 -13.030 -36.327 -2.051 1.00 10.00 N ATOM 722 CA GLN A 51 -12.733 -35.326 -3.061 1.00 10.00 C ATOM 723 C GLN A 51 -11.826 -34.302 -2.379 1.00 10.00 C ATOM 724 O GLN A 51 -11.896 -34.149 -1.159 1.00 10.00 O ATOM 725 CB GLN A 51 -14.015 -34.621 -3.536 1.00 10.00 C ATOM 726 CG GLN A 51 -15.187 -35.551 -3.883 1.00 10.00 C ATOM 727 CD GLN A 51 -16.487 -34.761 -3.993 1.00 10.00 C ATOM 728 OE1 GLN A 51 -17.047 -34.608 -5.072 1.00 10.00 O ATOM 729 NE2 GLN A 51 -16.975 -34.250 -2.864 1.00 10.00 N ATOM 0 H GLN A 51 -13.167 -35.920 -1.126 1.00 10.00 H new ATOM 0 HA GLN A 51 -12.268 -35.786 -3.933 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -14.339 -33.930 -2.758 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -13.776 -34.022 -4.415 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -14.986 -36.063 -4.824 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -15.287 -36.320 -3.117 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -16.482 -34.397 -1.983 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -17.841 -33.712 -2.880 1.00 10.00 H new ATOM 738 N THR A 52 -10.997 -33.579 -3.130 1.00 10.00 N ATOM 739 CA THR A 52 -10.183 -32.522 -2.550 1.00 10.00 C ATOM 740 C THR A 52 -11.124 -31.425 -2.053 1.00 10.00 C ATOM 741 O THR A 52 -12.060 -31.066 -2.764 1.00 10.00 O ATOM 742 CB THR A 52 -9.248 -31.965 -3.628 1.00 10.00 C ATOM 743 OG1 THR A 52 -8.589 -33.035 -4.273 1.00 10.00 O ATOM 744 CG2 THR A 52 -8.225 -31.008 -3.013 1.00 10.00 C ATOM 0 H THR A 52 -10.874 -33.707 -4.134 1.00 10.00 H new ATOM 0 HA THR A 52 -9.582 -32.900 -1.723 1.00 10.00 H new ATOM 0 HB THR A 52 -9.837 -31.409 -4.357 1.00 10.00 H new ATOM 0 HG1 THR A 52 -7.991 -32.682 -4.965 1.00 10.00 H new ATOM 0 HG21 THR A 52 -7.570 -30.623 -3.795 1.00 10.00 H new ATOM 0 HG22 THR A 52 -8.745 -30.178 -2.534 1.00 10.00 H new ATOM 0 HG23 THR A 52 -7.630 -31.540 -2.271 1.00 10.00 H new ATOM 752 N CYS A 53 -10.901 -30.879 -0.856 1.00 10.00 N ATOM 753 CA CYS A 53 -11.759 -29.823 -0.343 1.00 10.00 C ATOM 754 C CYS A 53 -11.513 -28.530 -1.131 1.00 10.00 C ATOM 755 O CYS A 53 -10.404 -27.996 -1.064 1.00 10.00 O ATOM 756 CB CYS A 53 -11.479 -29.594 1.139 1.00 10.00 C ATOM 757 SG CYS A 53 -12.658 -28.447 1.896 1.00 10.00 S ATOM 0 H CYS A 53 -10.140 -31.151 -0.233 1.00 10.00 H new ATOM 0 HA CYS A 53 -12.801 -30.121 -0.460 1.00 10.00 H new ATOM 0 HB2 CYS A 53 -11.516 -30.548 1.665 1.00 10.00 H new ATOM 0 HB3 CYS A 53 -10.468 -29.203 1.259 1.00 10.00 H new ATOM 762 N PRO A 54 -12.507 -27.997 -1.862 1.00 10.00 N ATOM 763 CA PRO A 54 -12.320 -26.788 -2.645 1.00 10.00 C ATOM 764 C PRO A 54 -12.192 -25.558 -1.744 1.00 10.00 C ATOM 765 O PRO A 54 -11.388 -24.673 -2.028 1.00 10.00 O ATOM 766 CB PRO A 54 -13.542 -26.709 -3.563 1.00 10.00 C ATOM 767 CG PRO A 54 -14.637 -27.416 -2.764 1.00 10.00 C ATOM 768 CD PRO A 54 -13.867 -28.500 -2.010 1.00 10.00 C ATOM 0 HA PRO A 54 -11.396 -26.813 -3.223 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -13.811 -25.676 -3.785 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -13.359 -27.203 -4.517 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -15.144 -26.733 -2.082 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -15.400 -27.842 -3.415 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -14.319 -28.695 -1.037 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -13.877 -29.441 -2.561 1.00 10.00 H new ATOM 776 N HIS A 55 -12.980 -25.504 -0.663 1.00 10.00 N ATOM 777 CA HIS A 55 -13.032 -24.391 0.281 1.00 10.00 C ATOM 778 C HIS A 55 -11.645 -23.913 0.724 1.00 10.00 C ATOM 779 O HIS A 55 -11.422 -22.705 0.831 1.00 10.00 O ATOM 780 CB HIS A 55 -13.895 -24.783 1.489 1.00 10.00 C ATOM 781 CG HIS A 55 -14.258 -23.632 2.396 1.00 10.00 C ATOM 782 ND1 HIS A 55 -13.748 -22.352 2.347 1.00 10.00 N ATOM 783 CD2 HIS A 55 -15.172 -23.671 3.415 1.00 10.00 C ATOM 784 CE1 HIS A 55 -14.351 -21.639 3.314 1.00 10.00 C ATOM 785 NE2 HIS A 55 -15.221 -22.401 3.995 1.00 10.00 N ATOM 0 H HIS A 55 -13.618 -26.261 -0.417 1.00 10.00 H new ATOM 0 HA HIS A 55 -13.486 -23.545 -0.234 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -14.812 -25.249 1.129 1.00 10.00 H new ATOM 0 HB3 HIS A 55 -13.363 -25.535 2.072 1.00 10.00 H new ATOM 0 HD1 HIS A 55 -13.042 -22.009 1.696 1.00 10.00 H new ATOM 0 HD2 HIS A 55 -15.752 -24.531 3.717 1.00 10.00 H new ATOM 0 HE1 HIS A 55 -14.161 -20.595 3.515 1.00 10.00 H new ATOM 793 N CYS A 56 -10.730 -24.854 0.977 1.00 10.00 N ATOM 794 CA CYS A 56 -9.356 -24.573 1.377 1.00 10.00 C ATOM 795 C CYS A 56 -8.359 -25.065 0.325 1.00 10.00 C ATOM 796 O CYS A 56 -7.191 -25.264 0.641 1.00 10.00 O ATOM 797 CB CYS A 56 -9.067 -25.213 2.738 1.00 10.00 C ATOM 798 SG CYS A 56 -9.350 -26.992 2.816 1.00 10.00 S ATOM 0 H CYS A 56 -10.932 -25.851 0.907 1.00 10.00 H new ATOM 0 HA CYS A 56 -9.238 -23.493 1.462 1.00 10.00 H new ATOM 0 HB2 CYS A 56 -8.029 -25.013 3.004 1.00 10.00 H new ATOM 0 HB3 CYS A 56 -9.688 -24.728 3.491 1.00 10.00 H new ATOM 803 N GLN A 57 -8.801 -25.267 -0.922 1.00 10.00 N ATOM 804 CA GLN A 57 -7.959 -25.685 -2.036 1.00 10.00 C ATOM 805 C GLN A 57 -7.046 -26.858 -1.646 1.00 10.00 C ATOM 806 O GLN A 57 -5.865 -26.877 -1.981 1.00 10.00 O ATOM 807 CB GLN A 57 -7.155 -24.479 -2.560 1.00 10.00 C ATOM 808 CG GLN A 57 -8.013 -23.256 -2.933 1.00 10.00 C ATOM 809 CD GLN A 57 -8.505 -22.471 -1.716 1.00 10.00 C ATOM 810 OE1 GLN A 57 -7.721 -21.830 -1.023 1.00 10.00 O ATOM 811 NE2 GLN A 57 -9.799 -22.535 -1.423 1.00 10.00 N ATOM 0 H GLN A 57 -9.778 -25.140 -1.185 1.00 10.00 H new ATOM 0 HA GLN A 57 -8.598 -26.048 -2.841 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -6.432 -24.182 -1.800 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -6.587 -24.790 -3.437 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -7.431 -22.593 -3.573 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -8.873 -23.587 -3.515 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -10.430 -23.075 -2.015 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -10.162 -22.044 -0.606 1.00 10.00 H new ATOM 820 N GLY A 58 -7.592 -27.840 -0.924 1.00 10.00 N ATOM 821 CA GLY A 58 -6.851 -29.014 -0.480 1.00 10.00 C ATOM 822 C GLY A 58 -5.811 -28.760 0.622 1.00 10.00 C ATOM 823 O GLY A 58 -5.214 -29.713 1.112 1.00 10.00 O ATOM 0 H GLY A 58 -8.569 -27.839 -0.631 1.00 10.00 H new ATOM 0 HA2 GLY A 58 -7.563 -29.757 -0.120 1.00 10.00 H new ATOM 0 HA3 GLY A 58 -6.344 -29.449 -1.341 1.00 10.00 H new ATOM 827 N ARG A 59 -5.585 -27.511 1.043 1.00 10.00 N ATOM 828 CA ARG A 59 -4.588 -27.167 2.057 1.00 10.00 C ATOM 829 C ARG A 59 -5.064 -27.451 3.488 1.00 10.00 C ATOM 830 O ARG A 59 -4.311 -27.241 4.438 1.00 10.00 O ATOM 831 CB ARG A 59 -4.260 -25.674 1.946 1.00 10.00 C ATOM 832 CG ARG A 59 -3.736 -25.242 0.569 1.00 10.00 C ATOM 833 CD ARG A 59 -3.469 -23.729 0.510 1.00 10.00 C ATOM 834 NE ARG A 59 -4.718 -22.949 0.532 1.00 10.00 N ATOM 835 CZ ARG A 59 -5.390 -22.560 1.626 1.00 10.00 C ATOM 836 NH1 ARG A 59 -4.885 -22.730 2.850 1.00 10.00 N ATOM 837 NH2 ARG A 59 -6.606 -22.023 1.495 1.00 10.00 N ATOM 0 H ARG A 59 -6.095 -26.704 0.684 1.00 10.00 H new ATOM 0 HA ARG A 59 -3.714 -27.790 1.869 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -5.157 -25.099 2.177 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -3.516 -25.421 2.701 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -2.817 -25.783 0.344 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -4.462 -25.513 -0.198 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -2.844 -23.438 1.354 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -2.910 -23.494 -0.396 1.00 10.00 H new ATOM 0 HE ARG A 59 -5.109 -22.679 -0.370 1.00 10.00 H new ATOM 0 HH11 ARG A 59 -3.969 -23.164 2.968 1.00 10.00 H new ATOM 0 HH12 ARG A 59 -5.415 -22.426 3.667 1.00 10.00 H new ATOM 0 HH21 ARG A 59 -7.017 -21.911 0.568 1.00 10.00 H new ATOM 0 HH22 ARG A 59 -7.124 -21.725 2.322 1.00 10.00 H new ATOM 851 N GLY A 60 -6.326 -27.856 3.669 1.00 10.00 N ATOM 852 CA GLY A 60 -6.927 -28.128 4.974 1.00 10.00 C ATOM 853 C GLY A 60 -6.968 -26.922 5.924 1.00 10.00 C ATOM 854 O GLY A 60 -7.345 -27.078 7.085 1.00 10.00 O ATOM 0 H GLY A 60 -6.970 -28.006 2.893 1.00 10.00 H new ATOM 0 HA2 GLY A 60 -7.944 -28.489 4.822 1.00 10.00 H new ATOM 0 HA3 GLY A 60 -6.371 -28.933 5.454 1.00 10.00 H new ATOM 858 N THR A 61 -6.575 -25.731 5.463 1.00 10.00 N ATOM 859 CA THR A 61 -6.436 -24.533 6.274 1.00 10.00 C ATOM 860 C THR A 61 -7.173 -23.347 5.646 1.00 10.00 C ATOM 861 O THR A 61 -7.031 -23.078 4.455 1.00 10.00 O ATOM 862 CB THR A 61 -4.931 -24.250 6.405 1.00 10.00 C ATOM 863 OG1 THR A 61 -4.253 -24.539 5.194 1.00 10.00 O ATOM 864 CG2 THR A 61 -4.310 -25.103 7.516 1.00 10.00 C ATOM 0 H THR A 61 -6.339 -25.576 4.483 1.00 10.00 H new ATOM 0 HA THR A 61 -6.884 -24.683 7.257 1.00 10.00 H new ATOM 0 HB THR A 61 -4.824 -23.192 6.645 1.00 10.00 H new ATOM 0 HG1 THR A 61 -4.222 -25.509 5.060 1.00 10.00 H new ATOM 0 HG21 THR A 61 -3.245 -24.885 7.590 1.00 10.00 H new ATOM 0 HG22 THR A 61 -4.794 -24.873 8.465 1.00 10.00 H new ATOM 0 HG23 THR A 61 -4.449 -26.159 7.285 1.00 10.00 H new ATOM 872 N LEU A 62 -7.957 -22.628 6.451 1.00 10.00 N ATOM 873 CA LEU A 62 -8.729 -21.472 6.027 1.00 10.00 C ATOM 874 C LEU A 62 -8.062 -20.188 6.514 1.00 10.00 C ATOM 875 O LEU A 62 -7.904 -19.964 7.719 1.00 10.00 O ATOM 876 CB LEU A 62 -10.167 -21.568 6.556 1.00 10.00 C ATOM 877 CG LEU A 62 -10.952 -22.761 5.988 1.00 10.00 C ATOM 878 CD1 LEU A 62 -12.294 -22.877 6.720 1.00 10.00 C ATOM 879 CD2 LEU A 62 -11.221 -22.599 4.488 1.00 10.00 C ATOM 0 H LEU A 62 -8.072 -22.844 7.441 1.00 10.00 H new ATOM 0 HA LEU A 62 -8.765 -21.453 4.938 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -10.141 -21.645 7.643 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -10.697 -20.647 6.314 1.00 10.00 H new ATOM 0 HG LEU A 62 -10.351 -23.658 6.135 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -12.855 -23.722 6.320 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -12.116 -23.030 7.784 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -12.867 -21.961 6.576 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -11.778 -23.462 4.123 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -11.803 -21.693 4.318 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -10.273 -22.526 3.954 1.00 10.00 H new ATOM 891 N ILE A 63 -7.698 -19.330 5.558 1.00 10.00 N ATOM 892 CA ILE A 63 -7.107 -18.021 5.783 1.00 10.00 C ATOM 893 C ILE A 63 -8.240 -17.068 6.182 1.00 10.00 C ATOM 894 O ILE A 63 -8.574 -16.135 5.458 1.00 10.00 O ATOM 895 CB ILE A 63 -6.364 -17.572 4.505 1.00 10.00 C ATOM 896 CG1 ILE A 63 -5.369 -18.630 3.989 1.00 10.00 C ATOM 897 CG2 ILE A 63 -5.637 -16.233 4.711 1.00 10.00 C ATOM 898 CD1 ILE A 63 -4.201 -18.872 4.943 1.00 10.00 C ATOM 0 H ILE A 63 -7.814 -19.543 4.567 1.00 10.00 H new ATOM 0 HA ILE A 63 -6.369 -18.034 6.585 1.00 10.00 H new ATOM 0 HB ILE A 63 -7.136 -17.443 3.746 1.00 10.00 H new ATOM 0 HG12 ILE A 63 -5.898 -19.569 3.827 1.00 10.00 H new ATOM 0 HG13 ILE A 63 -4.980 -18.313 3.022 1.00 10.00 H new ATOM 0 HG21 ILE A 63 -5.126 -15.951 3.790 1.00 10.00 H new ATOM 0 HG22 ILE A 63 -6.361 -15.463 4.975 1.00 10.00 H new ATOM 0 HG23 ILE A 63 -4.907 -16.335 5.514 1.00 10.00 H new ATOM 0 HD11 ILE A 63 -3.537 -19.627 4.522 1.00 10.00 H new ATOM 0 HD12 ILE A 63 -3.649 -17.943 5.086 1.00 10.00 H new ATOM 0 HD13 ILE A 63 -4.582 -19.219 5.904 1.00 10.00 H new ATOM 910 N LYS A 64 -8.856 -17.322 7.340 1.00 10.00 N ATOM 911 CA LYS A 64 -9.947 -16.500 7.853 1.00 10.00 C ATOM 912 C LYS A 64 -9.478 -15.047 7.975 1.00 10.00 C ATOM 913 O LYS A 64 -10.184 -14.115 7.599 1.00 10.00 O ATOM 914 CB LYS A 64 -10.389 -17.056 9.215 1.00 10.00 C ATOM 915 CG LYS A 64 -11.577 -16.282 9.809 1.00 10.00 C ATOM 916 CD LYS A 64 -12.019 -16.841 11.170 1.00 10.00 C ATOM 917 CE LYS A 64 -11.019 -16.509 12.289 1.00 10.00 C ATOM 918 NZ LYS A 64 -11.392 -17.157 13.559 1.00 10.00 N ATOM 0 H LYS A 64 -8.610 -18.105 7.946 1.00 10.00 H new ATOM 0 HA LYS A 64 -10.797 -16.526 7.171 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -10.662 -18.105 9.104 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -9.550 -17.017 9.910 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -11.304 -15.233 9.922 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -12.416 -16.320 9.114 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -12.997 -16.434 11.427 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -12.133 -17.923 11.097 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -10.021 -16.833 11.994 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -10.975 -15.429 12.430 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -11.113 -16.548 14.355 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -12.421 -17.308 13.583 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -10.906 -18.073 13.637 1.00 10.00 H new ATOM 932 N ASP A 65 -8.278 -14.881 8.532 1.00 10.00 N ATOM 933 CA ASP A 65 -7.624 -13.610 8.786 1.00 10.00 C ATOM 934 C ASP A 65 -6.373 -13.520 7.898 1.00 10.00 C ATOM 935 O ASP A 65 -5.353 -14.119 8.230 1.00 10.00 O ATOM 936 CB ASP A 65 -7.295 -13.533 10.284 1.00 10.00 C ATOM 937 CG ASP A 65 -6.389 -14.669 10.756 1.00 10.00 C ATOM 938 OD1 ASP A 65 -6.885 -15.818 10.794 1.00 10.00 O ATOM 939 OD2 ASP A 65 -5.216 -14.366 11.052 1.00 10.00 O ATOM 0 H ASP A 65 -7.712 -15.675 8.831 1.00 10.00 H new ATOM 0 HA ASP A 65 -8.263 -12.762 8.540 1.00 10.00 H new ATOM 0 HB2 ASP A 65 -6.812 -12.579 10.496 1.00 10.00 H new ATOM 0 HB3 ASP A 65 -8.223 -13.554 10.856 1.00 10.00 H new ATOM 944 N PRO A 66 -6.412 -12.812 6.761 1.00 10.00 N ATOM 945 CA PRO A 66 -5.273 -12.742 5.859 1.00 10.00 C ATOM 946 C PRO A 66 -4.121 -11.916 6.439 1.00 10.00 C ATOM 947 O PRO A 66 -4.316 -10.788 6.890 1.00 10.00 O ATOM 948 CB PRO A 66 -5.821 -12.131 4.565 1.00 10.00 C ATOM 949 CG PRO A 66 -6.992 -11.275 5.044 1.00 10.00 C ATOM 950 CD PRO A 66 -7.544 -12.068 6.230 1.00 10.00 C ATOM 0 HA PRO A 66 -4.842 -13.729 5.688 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -5.068 -11.531 4.054 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -6.146 -12.900 3.864 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -6.666 -10.279 5.343 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -7.741 -11.145 4.263 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -7.965 -11.404 6.984 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -8.342 -12.740 5.915 1.00 10.00 H new ATOM 958 N CYS A 67 -2.906 -12.469 6.394 1.00 10.00 N ATOM 959 CA CYS A 67 -1.685 -11.798 6.809 1.00 10.00 C ATOM 960 C CYS A 67 -1.449 -10.627 5.852 1.00 10.00 C ATOM 961 O CYS A 67 -0.967 -10.824 4.733 1.00 10.00 O ATOM 962 CB CYS A 67 -0.516 -12.781 6.720 1.00 10.00 C ATOM 963 SG CYS A 67 1.115 -12.078 7.080 1.00 10.00 S ATOM 0 H CYS A 67 -2.747 -13.419 6.059 1.00 10.00 H new ATOM 0 HA CYS A 67 -1.768 -11.439 7.835 1.00 10.00 H new ATOM 0 HB2 CYS A 67 -0.700 -13.603 7.412 1.00 10.00 H new ATOM 0 HB3 CYS A 67 -0.497 -13.207 5.717 1.00 10.00 H new ATOM 968 N ASN A 68 -1.808 -9.421 6.295 1.00 10.00 N ATOM 969 CA ASN A 68 -1.686 -8.172 5.552 1.00 10.00 C ATOM 970 C ASN A 68 -0.374 -8.073 4.769 1.00 10.00 C ATOM 971 O ASN A 68 -0.405 -7.784 3.575 1.00 10.00 O ATOM 972 CB ASN A 68 -1.889 -6.962 6.481 1.00 10.00 C ATOM 973 CG ASN A 68 -0.799 -6.799 7.542 1.00 10.00 C ATOM 974 OD1 ASN A 68 -0.169 -7.768 7.959 1.00 10.00 O ATOM 975 ND2 ASN A 68 -0.561 -5.572 7.994 1.00 10.00 N ATOM 0 H ASN A 68 -2.209 -9.285 7.223 1.00 10.00 H new ATOM 0 HA ASN A 68 -2.481 -8.165 4.806 1.00 10.00 H new ATOM 0 HB2 ASN A 68 -1.931 -6.056 5.876 1.00 10.00 H new ATOM 0 HB3 ASN A 68 -2.854 -7.058 6.979 1.00 10.00 H new ATOM 0 HD21 ASN A 68 0.157 -5.420 8.702 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -1.097 -4.783 7.633 1.00 10.00 H new ATOM 982 N LYS A 69 0.765 -8.324 5.425 1.00 10.00 N ATOM 983 CA LYS A 69 2.100 -8.260 4.835 1.00 10.00 C ATOM 984 C LYS A 69 2.182 -8.943 3.464 1.00 10.00 C ATOM 985 O LYS A 69 2.845 -8.427 2.568 1.00 10.00 O ATOM 986 CB LYS A 69 3.126 -8.853 5.815 1.00 10.00 C ATOM 987 CG LYS A 69 4.562 -8.742 5.279 1.00 10.00 C ATOM 988 CD LYS A 69 5.576 -9.239 6.316 1.00 10.00 C ATOM 989 CE LYS A 69 6.983 -9.281 5.709 1.00 10.00 C ATOM 990 NZ LYS A 69 7.973 -9.816 6.661 1.00 10.00 N ATOM 0 H LYS A 69 0.780 -8.585 6.411 1.00 10.00 H new ATOM 0 HA LYS A 69 2.332 -7.210 4.658 1.00 10.00 H new ATOM 0 HB2 LYS A 69 3.055 -8.336 6.772 1.00 10.00 H new ATOM 0 HB3 LYS A 69 2.888 -9.900 6.000 1.00 10.00 H new ATOM 0 HG2 LYS A 69 4.658 -9.325 4.363 1.00 10.00 H new ATOM 0 HG3 LYS A 69 4.779 -7.705 5.021 1.00 10.00 H new ATOM 0 HD2 LYS A 69 5.568 -8.582 7.186 1.00 10.00 H new ATOM 0 HD3 LYS A 69 5.293 -10.233 6.664 1.00 10.00 H new ATOM 0 HE2 LYS A 69 6.973 -9.897 4.810 1.00 10.00 H new ATOM 0 HE3 LYS A 69 7.278 -8.277 5.404 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 8.913 -9.430 6.439 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 7.707 -9.543 7.629 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 7.999 -10.853 6.588 1.00 10.00 H new ATOM 1004 N CYS A 70 1.518 -10.091 3.298 1.00 10.00 N ATOM 1005 CA CYS A 70 1.511 -10.839 2.043 1.00 10.00 C ATOM 1006 C CYS A 70 0.094 -10.950 1.479 1.00 10.00 C ATOM 1007 O CYS A 70 -0.186 -11.838 0.673 1.00 10.00 O ATOM 1008 CB CYS A 70 2.113 -12.223 2.288 1.00 10.00 C ATOM 1009 SG CYS A 70 1.231 -13.205 3.520 1.00 10.00 S ATOM 0 H CYS A 70 0.967 -10.528 4.037 1.00 10.00 H new ATOM 0 HA CYS A 70 2.112 -10.309 1.303 1.00 10.00 H new ATOM 0 HB2 CYS A 70 2.130 -12.772 1.346 1.00 10.00 H new ATOM 0 HB3 CYS A 70 3.149 -12.105 2.607 1.00 10.00 H new ATOM 1014 N HIS A 71 -0.811 -10.072 1.918 1.00 10.00 N ATOM 1015 CA HIS A 71 -2.210 -10.056 1.518 1.00 10.00 C ATOM 1016 C HIS A 71 -2.811 -11.469 1.576 1.00 10.00 C ATOM 1017 O HIS A 71 -3.526 -11.879 0.666 1.00 10.00 O ATOM 1018 CB HIS A 71 -2.354 -9.423 0.124 1.00 10.00 C ATOM 1019 CG HIS A 71 -1.828 -8.015 -0.026 1.00 10.00 C ATOM 1020 ND1 HIS A 71 -1.227 -7.238 0.941 1.00 10.00 N ATOM 1021 CD2 HIS A 71 -1.846 -7.282 -1.183 1.00 10.00 C ATOM 1022 CE1 HIS A 71 -0.890 -6.068 0.373 1.00 10.00 C ATOM 1023 NE2 HIS A 71 -1.249 -6.046 -0.921 1.00 10.00 N ATOM 0 H HIS A 71 -0.578 -9.333 2.581 1.00 10.00 H new ATOM 0 HA HIS A 71 -2.774 -9.442 2.220 1.00 10.00 H new ATOM 0 HB2 HIS A 71 -1.840 -10.059 -0.596 1.00 10.00 H new ATOM 0 HB3 HIS A 71 -3.410 -9.425 -0.146 1.00 10.00 H new ATOM 0 HD1 HIS A 71 -1.067 -7.503 1.913 1.00 10.00 H new ATOM 0 HD2 HIS A 71 -2.251 -7.603 -2.131 1.00 10.00 H new ATOM 0 HE1 HIS A 71 -0.397 -5.256 0.887 1.00 10.00 H new ATOM 1031 N GLY A 72 -2.508 -12.229 2.634 1.00 10.00 N ATOM 1032 CA GLY A 72 -3.039 -13.572 2.807 1.00 10.00 C ATOM 1033 C GLY A 72 -2.452 -14.656 1.897 1.00 10.00 C ATOM 1034 O GLY A 72 -2.820 -15.816 2.063 1.00 10.00 O ATOM 0 H GLY A 72 -1.890 -11.926 3.387 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -2.880 -13.872 3.843 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -4.117 -13.537 2.647 1.00 10.00 H new ATOM 1038 N HIS A 73 -1.558 -14.334 0.953 1.00 10.00 N ATOM 1039 CA HIS A 73 -1.000 -15.345 0.054 1.00 10.00 C ATOM 1040 C HIS A 73 -0.145 -16.338 0.839 1.00 10.00 C ATOM 1041 O HIS A 73 -0.378 -17.544 0.785 1.00 10.00 O ATOM 1042 CB HIS A 73 -0.196 -14.690 -1.075 1.00 10.00 C ATOM 1043 CG HIS A 73 -1.049 -13.831 -1.971 1.00 10.00 C ATOM 1044 ND1 HIS A 73 -1.423 -12.534 -1.716 1.00 10.00 N ATOM 1045 CD2 HIS A 73 -1.660 -14.218 -3.134 1.00 10.00 C ATOM 1046 CE1 HIS A 73 -2.243 -12.145 -2.707 1.00 10.00 C ATOM 1047 NE2 HIS A 73 -2.413 -13.135 -3.598 1.00 10.00 N ATOM 0 H HIS A 73 -1.210 -13.388 0.795 1.00 10.00 H new ATOM 0 HA HIS A 73 -1.823 -15.893 -0.405 1.00 10.00 H new ATOM 0 HB2 HIS A 73 0.599 -14.081 -0.644 1.00 10.00 H new ATOM 0 HB3 HIS A 73 0.284 -15.466 -1.671 1.00 10.00 H new ATOM 0 HD1 HIS A 73 -1.131 -11.969 -0.919 1.00 10.00 H new ATOM 0 HD2 HIS A 73 -1.575 -15.185 -3.607 1.00 10.00 H new ATOM 0 HE1 HIS A 73 -2.702 -11.170 -2.777 1.00 10.00 H new ATOM 1055 N GLY A 74 0.846 -15.808 1.558 1.00 10.00 N ATOM 1056 CA GLY A 74 1.747 -16.568 2.419 1.00 10.00 C ATOM 1057 C GLY A 74 3.210 -16.529 1.991 1.00 10.00 C ATOM 1058 O GLY A 74 4.083 -16.947 2.749 1.00 10.00 O ATOM 0 H GLY A 74 1.048 -14.808 1.556 1.00 10.00 H new ATOM 0 HA2 GLY A 74 1.668 -16.184 3.436 1.00 10.00 H new ATOM 0 HA3 GLY A 74 1.416 -17.606 2.444 1.00 10.00 H new ATOM 1062 N ARG A 75 3.506 -15.998 0.808 1.00 10.00 N ATOM 1063 CA ARG A 75 4.859 -15.859 0.292 1.00 10.00 C ATOM 1064 C ARG A 75 4.878 -14.634 -0.603 1.00 10.00 C ATOM 1065 O ARG A 75 3.821 -14.219 -1.082 1.00 10.00 O ATOM 1066 CB ARG A 75 5.306 -17.139 -0.425 1.00 10.00 C ATOM 1067 CG ARG A 75 4.355 -17.573 -1.553 1.00 10.00 C ATOM 1068 CD ARG A 75 4.200 -19.099 -1.575 1.00 10.00 C ATOM 1069 NE ARG A 75 3.629 -19.617 -0.314 1.00 10.00 N ATOM 1070 CZ ARG A 75 2.372 -19.421 0.114 1.00 10.00 C ATOM 1071 NH1 ARG A 75 1.471 -18.845 -0.685 1.00 10.00 N ATOM 1072 NH2 ARG A 75 2.007 -19.776 1.353 1.00 10.00 N ATOM 0 H ARG A 75 2.794 -15.645 0.169 1.00 10.00 H new ATOM 0 HA ARG A 75 5.578 -15.718 1.099 1.00 10.00 H new ATOM 0 HB2 ARG A 75 6.302 -16.985 -0.839 1.00 10.00 H new ATOM 0 HB3 ARG A 75 5.385 -17.946 0.304 1.00 10.00 H new ATOM 0 HG2 ARG A 75 3.380 -17.106 -1.414 1.00 10.00 H new ATOM 0 HG3 ARG A 75 4.740 -17.228 -2.513 1.00 10.00 H new ATOM 0 HD2 ARG A 75 3.558 -19.386 -2.408 1.00 10.00 H new ATOM 0 HD3 ARG A 75 5.173 -19.560 -1.748 1.00 10.00 H new ATOM 0 HE ARG A 75 4.243 -20.171 0.283 1.00 10.00 H new ATOM 0 HH11 ARG A 75 1.737 -18.552 -1.625 1.00 10.00 H new ATOM 0 HH12 ARG A 75 0.517 -18.698 -0.355 1.00 10.00 H new ATOM 0 HH21 ARG A 75 2.687 -20.201 1.983 1.00 10.00 H new ATOM 0 HH22 ARG A 75 1.049 -19.622 1.666 1.00 10.00 H new ATOM 1086 N VAL A 76 6.056 -14.039 -0.790 1.00 10.00 N ATOM 1087 CA VAL A 76 6.216 -12.816 -1.561 1.00 10.00 C ATOM 1088 C VAL A 76 7.558 -12.836 -2.283 1.00 10.00 C ATOM 1089 O VAL A 76 8.439 -13.628 -1.947 1.00 10.00 O ATOM 1090 CB VAL A 76 6.133 -11.587 -0.628 1.00 10.00 C ATOM 1091 CG1 VAL A 76 4.733 -11.411 -0.030 1.00 10.00 C ATOM 1092 CG2 VAL A 76 7.160 -11.645 0.516 1.00 10.00 C ATOM 0 H VAL A 76 6.930 -14.398 -0.406 1.00 10.00 H new ATOM 0 HA VAL A 76 5.416 -12.751 -2.298 1.00 10.00 H new ATOM 0 HB VAL A 76 6.363 -10.730 -1.261 1.00 10.00 H new ATOM 0 HG11 VAL A 76 4.722 -10.535 0.619 1.00 10.00 H new ATOM 0 HG12 VAL A 76 4.009 -11.277 -0.833 1.00 10.00 H new ATOM 0 HG13 VAL A 76 4.471 -12.296 0.550 1.00 10.00 H new ATOM 0 HG21 VAL A 76 7.059 -10.758 1.141 1.00 10.00 H new ATOM 0 HG22 VAL A 76 6.983 -12.536 1.119 1.00 10.00 H new ATOM 0 HG23 VAL A 76 8.167 -11.682 0.100 1.00 10.00 H new ATOM 1102 N GLU A 77 7.728 -11.923 -3.240 1.00 10.00 N ATOM 1103 CA GLU A 77 9.002 -11.725 -3.902 1.00 10.00 C ATOM 1104 C GLU A 77 9.831 -10.863 -2.958 1.00 10.00 C ATOM 1105 O GLU A 77 9.305 -9.904 -2.389 1.00 10.00 O ATOM 1106 CB GLU A 77 8.804 -11.057 -5.268 1.00 10.00 C ATOM 1107 CG GLU A 77 10.129 -10.986 -6.043 1.00 10.00 C ATOM 1108 CD GLU A 77 9.947 -10.360 -7.422 1.00 10.00 C ATOM 1109 OE1 GLU A 77 9.135 -10.915 -8.193 1.00 10.00 O ATOM 1110 OE2 GLU A 77 10.634 -9.350 -7.685 1.00 10.00 O ATOM 0 H GLU A 77 6.986 -11.307 -3.571 1.00 10.00 H new ATOM 0 HA GLU A 77 9.508 -12.669 -4.104 1.00 10.00 H new ATOM 0 HB2 GLU A 77 8.069 -11.616 -5.847 1.00 10.00 H new ATOM 0 HB3 GLU A 77 8.404 -10.052 -5.131 1.00 10.00 H new ATOM 0 HG2 GLU A 77 10.853 -10.404 -5.472 1.00 10.00 H new ATOM 0 HG3 GLU A 77 10.541 -11.989 -6.151 1.00 10.00 H new ATOM 1117 N ARG A 78 11.108 -11.203 -2.780 1.00 10.00 N ATOM 1118 CA ARG A 78 12.003 -10.462 -1.910 1.00 10.00 C ATOM 1119 C ARG A 78 11.939 -8.973 -2.263 1.00 10.00 C ATOM 1120 O ARG A 78 12.281 -8.581 -3.377 1.00 10.00 O ATOM 1121 CB ARG A 78 13.422 -11.013 -2.055 1.00 10.00 C ATOM 1122 CG ARG A 78 14.336 -10.364 -1.001 1.00 10.00 C ATOM 1123 CD ARG A 78 15.790 -10.819 -1.119 1.00 10.00 C ATOM 1124 NE ARG A 78 16.393 -10.311 -2.358 1.00 10.00 N ATOM 1125 CZ ARG A 78 16.557 -10.993 -3.498 1.00 10.00 C ATOM 1126 NH1 ARG A 78 16.188 -12.274 -3.592 1.00 10.00 N ATOM 1127 NH2 ARG A 78 17.085 -10.384 -4.560 1.00 10.00 N ATOM 0 H ARG A 78 11.545 -12.002 -3.239 1.00 10.00 H new ATOM 0 HA ARG A 78 11.700 -10.576 -0.869 1.00 10.00 H new ATOM 0 HB2 ARG A 78 13.417 -12.096 -1.930 1.00 10.00 H new ATOM 0 HB3 ARG A 78 13.802 -10.809 -3.056 1.00 10.00 H new ATOM 0 HG2 ARG A 78 14.290 -9.280 -1.104 1.00 10.00 H new ATOM 0 HG3 ARG A 78 13.964 -10.606 -0.005 1.00 10.00 H new ATOM 0 HD2 ARG A 78 16.359 -10.464 -0.260 1.00 10.00 H new ATOM 0 HD3 ARG A 78 15.838 -11.908 -1.105 1.00 10.00 H new ATOM 0 HE ARG A 78 16.719 -9.344 -2.349 1.00 10.00 H new ATOM 0 HH11 ARG A 78 15.775 -12.746 -2.788 1.00 10.00 H new ATOM 0 HH12 ARG A 78 16.320 -12.780 -4.468 1.00 10.00 H new ATOM 0 HH21 ARG A 78 17.361 -9.404 -4.501 1.00 10.00 H new ATOM 0 HH22 ARG A 78 17.213 -10.898 -5.432 1.00 10.00 H new ATOM 1141 N SER A 79 11.472 -8.150 -1.323 1.00 10.00 N ATOM 1142 CA SER A 79 11.298 -6.719 -1.500 1.00 10.00 C ATOM 1143 C SER A 79 11.021 -6.098 -0.132 1.00 10.00 C ATOM 1144 O SER A 79 11.059 -6.800 0.880 1.00 10.00 O ATOM 1145 CB SER A 79 10.144 -6.457 -2.477 1.00 10.00 C ATOM 1146 OG SER A 79 8.983 -7.150 -2.061 1.00 10.00 O ATOM 0 H SER A 79 11.199 -8.475 -0.395 1.00 10.00 H new ATOM 0 HA SER A 79 12.197 -6.268 -1.921 1.00 10.00 H new ATOM 0 HB2 SER A 79 9.939 -5.388 -2.530 1.00 10.00 H new ATOM 0 HB3 SER A 79 10.427 -6.777 -3.480 1.00 10.00 H new ATOM 0 HG SER A 79 9.103 -8.110 -2.215 1.00 10.00 H new TER 1152 SER A 79 HETATM 1153 ZN ZN A 80 2.222 -13.425 5.575 1.00 10.00 ZN HETATM 1154 ZN ZN A 81 -11.198 -28.078 3.624 1.00 10.00 ZN