USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=17 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= 1.89 K(o=3.4,f=-4.9) USER MOD Set 1.2: A 50 GLN : amide:sc= 1.53 K(o=3.4,f=-3.4!) USER MOD Set 2.1: A 33 THR OG1 : rot 99:sc= 0.287 USER MOD Set 2.2: A 55 HIS : no HE2:sc= 0.374 K(o=0.66,f=-2.5!) USER MOD Set 3.1: A 27 GLN : amide:sc= 0.891 K(o=1.8,f=-0.32) USER MOD Set 3.2: A 29 GLN : amide:sc= 0.897 K(o=1.8,f=-0.51) USER MOD Single : A 1 GLY N :NH3+ 148:sc= 1.19 (180deg=0.475) USER MOD Single : A 3 THR OG1 : rot -101:sc= 0.0606 USER MOD Single : A 4 LYS NZ :NH3+ 173:sc= -0.0114 (180deg=-0.0888) USER MOD Single : A 10 THR OG1 : rot -144:sc= 0.687 USER MOD Single : A 18 HIS : no HE2:sc= 0.991 K(o=0.99,f=-3.7!) USER MOD Single : A 20 SER OG : rot -59:sc= 1.61 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -31:sc= 0.517 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 35 HIS : no HE2:sc= 1.15 K(o=1.1,f=-3.9!) USER MOD Single : A 37 SER OG : rot 85:sc= 0.913 USER MOD Single : A 41 GLN : amide:sc= 0.96 K(o=0.96,f=-0.55) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0.948 K(o=0.95,f=-5.4!) USER MOD Single : A 51 GLN : amide:sc= -0.959 X(o=-0.96,f=-0.86) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.042 USER MOD Single : A 57 GLN : amide:sc= 0.99 K(o=0.99,f=-6.6!) USER MOD Single : A 61 THR OG1 : rot -64:sc= 0.753 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0.0611! X(o=0.061!,f=-0.033) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HE2:sc= 0.523 K(o=0.52,f=-2.9!) USER MOD Single : A 73 HIS : no HE2:sc= 0.797 K(o=0.8,f=-3.2!) USER MOD Single : A 79 SER OG : rot 64:sc= 0.594 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.049 -20.944 -19.825 1.00 10.00 N ATOM 2 CA GLY A 1 19.587 -20.575 -18.527 1.00 10.00 C ATOM 3 C GLY A 1 18.440 -20.238 -17.580 1.00 10.00 C ATOM 4 O GLY A 1 18.361 -19.124 -17.065 1.00 10.00 O ATOM 0 H1 GLY A 1 19.714 -20.656 -20.571 1.00 10.00 H new ATOM 0 H2 GLY A 1 18.911 -21.974 -19.863 1.00 10.00 H new ATOM 0 H3 GLY A 1 18.137 -20.467 -19.971 1.00 10.00 H new ATOM 0 HA2 GLY A 1 20.180 -21.394 -18.121 1.00 10.00 H new ATOM 0 HA3 GLY A 1 20.254 -19.719 -18.628 1.00 10.00 H new ATOM 8 N VAL A 2 17.540 -21.206 -17.376 1.00 10.00 N ATOM 9 CA VAL A 2 16.344 -21.076 -16.550 1.00 10.00 C ATOM 10 C VAL A 2 16.605 -20.302 -15.252 1.00 10.00 C ATOM 11 O VAL A 2 15.876 -19.365 -14.934 1.00 10.00 O ATOM 12 CB VAL A 2 15.684 -22.448 -16.311 1.00 10.00 C ATOM 13 CG1 VAL A 2 15.176 -23.033 -17.636 1.00 10.00 C ATOM 14 CG2 VAL A 2 16.605 -23.470 -15.627 1.00 10.00 C ATOM 0 H VAL A 2 17.631 -22.131 -17.797 1.00 10.00 H new ATOM 0 HA VAL A 2 15.628 -20.471 -17.105 1.00 10.00 H new ATOM 0 HB VAL A 2 14.855 -22.262 -15.629 1.00 10.00 H new ATOM 0 HG11 VAL A 2 14.712 -24.002 -17.452 1.00 10.00 H new ATOM 0 HG12 VAL A 2 14.442 -22.357 -18.075 1.00 10.00 H new ATOM 0 HG13 VAL A 2 16.013 -23.156 -18.324 1.00 10.00 H new ATOM 0 HG21 VAL A 2 16.070 -24.410 -15.493 1.00 10.00 H new ATOM 0 HG22 VAL A 2 17.485 -23.639 -16.247 1.00 10.00 H new ATOM 0 HG23 VAL A 2 16.915 -23.087 -14.655 1.00 10.00 H new ATOM 24 N THR A 3 17.672 -20.663 -14.537 1.00 10.00 N ATOM 25 CA THR A 3 18.115 -20.036 -13.302 1.00 10.00 C ATOM 26 C THR A 3 18.254 -18.520 -13.452 1.00 10.00 C ATOM 27 O THR A 3 17.821 -17.768 -12.583 1.00 10.00 O ATOM 28 CB THR A 3 19.455 -20.679 -12.913 1.00 10.00 C ATOM 29 OG1 THR A 3 20.209 -20.915 -14.090 1.00 10.00 O ATOM 30 CG2 THR A 3 19.226 -22.023 -12.216 1.00 10.00 C ATOM 0 H THR A 3 18.274 -21.436 -14.821 1.00 10.00 H new ATOM 0 HA THR A 3 17.373 -20.195 -12.520 1.00 10.00 H new ATOM 0 HB THR A 3 19.982 -20.006 -12.237 1.00 10.00 H new ATOM 0 HG1 THR A 3 20.141 -21.861 -14.338 1.00 10.00 H new ATOM 0 HG21 THR A 3 20.187 -22.462 -11.948 1.00 10.00 H new ATOM 0 HG22 THR A 3 18.634 -21.869 -11.314 1.00 10.00 H new ATOM 0 HG23 THR A 3 18.694 -22.696 -12.889 1.00 10.00 H new ATOM 38 N LYS A 4 18.839 -18.066 -14.561 1.00 10.00 N ATOM 39 CA LYS A 4 18.990 -16.650 -14.849 1.00 10.00 C ATOM 40 C LYS A 4 17.636 -16.083 -15.276 1.00 10.00 C ATOM 41 O LYS A 4 17.273 -14.979 -14.883 1.00 10.00 O ATOM 42 CB LYS A 4 20.049 -16.461 -15.945 1.00 10.00 C ATOM 43 CG LYS A 4 20.352 -14.976 -16.195 1.00 10.00 C ATOM 44 CD LYS A 4 21.446 -14.774 -17.253 1.00 10.00 C ATOM 45 CE LYS A 4 21.110 -15.384 -18.622 1.00 10.00 C ATOM 46 NZ LYS A 4 19.800 -14.933 -19.125 1.00 10.00 N ATOM 0 H LYS A 4 19.221 -18.677 -15.283 1.00 10.00 H new ATOM 0 HA LYS A 4 19.325 -16.113 -13.961 1.00 10.00 H new ATOM 0 HB2 LYS A 4 20.966 -16.976 -15.657 1.00 10.00 H new ATOM 0 HB3 LYS A 4 19.701 -16.922 -16.870 1.00 10.00 H new ATOM 0 HG2 LYS A 4 19.441 -14.471 -16.517 1.00 10.00 H new ATOM 0 HG3 LYS A 4 20.663 -14.509 -15.261 1.00 10.00 H new ATOM 0 HD2 LYS A 4 21.625 -13.706 -17.377 1.00 10.00 H new ATOM 0 HD3 LYS A 4 22.375 -15.213 -16.889 1.00 10.00 H new ATOM 0 HE2 LYS A 4 21.885 -15.114 -19.339 1.00 10.00 H new ATOM 0 HE3 LYS A 4 21.113 -16.471 -18.544 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 19.666 -15.273 -20.099 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 19.046 -15.314 -18.519 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 19.762 -13.894 -19.113 1.00 10.00 H new ATOM 60 N GLU A 5 16.903 -16.831 -16.106 1.00 10.00 N ATOM 61 CA GLU A 5 15.615 -16.404 -16.638 1.00 10.00 C ATOM 62 C GLU A 5 14.617 -16.023 -15.552 1.00 10.00 C ATOM 63 O GLU A 5 13.898 -15.031 -15.683 1.00 10.00 O ATOM 64 CB GLU A 5 15.046 -17.442 -17.611 1.00 10.00 C ATOM 65 CG GLU A 5 15.935 -17.616 -18.853 1.00 10.00 C ATOM 66 CD GLU A 5 15.612 -18.900 -19.613 1.00 10.00 C ATOM 67 OE1 GLU A 5 14.405 -19.194 -19.749 1.00 10.00 O ATOM 68 OE2 GLU A 5 16.580 -19.572 -20.034 1.00 10.00 O ATOM 0 H GLU A 5 17.193 -17.755 -16.427 1.00 10.00 H new ATOM 0 HA GLU A 5 15.796 -15.488 -17.201 1.00 10.00 H new ATOM 0 HB2 GLU A 5 14.945 -18.400 -17.101 1.00 10.00 H new ATOM 0 HB3 GLU A 5 14.046 -17.139 -17.921 1.00 10.00 H new ATOM 0 HG2 GLU A 5 15.804 -16.760 -19.515 1.00 10.00 H new ATOM 0 HG3 GLU A 5 16.982 -17.628 -18.550 1.00 10.00 H new ATOM 75 N ILE A 6 14.585 -16.807 -14.480 1.00 10.00 N ATOM 76 CA ILE A 6 13.696 -16.580 -13.337 1.00 10.00 C ATOM 77 C ILE A 6 14.166 -15.399 -12.471 1.00 10.00 C ATOM 78 O ILE A 6 14.358 -15.520 -11.264 1.00 10.00 O ATOM 79 CB ILE A 6 13.432 -17.867 -12.524 1.00 10.00 C ATOM 80 CG1 ILE A 6 14.696 -18.493 -11.904 1.00 10.00 C ATOM 81 CG2 ILE A 6 12.687 -18.890 -13.393 1.00 10.00 C ATOM 82 CD1 ILE A 6 14.368 -19.402 -10.717 1.00 10.00 C ATOM 0 H ILE A 6 15.181 -17.628 -14.375 1.00 10.00 H new ATOM 0 HA ILE A 6 12.726 -16.292 -13.742 1.00 10.00 H new ATOM 0 HB ILE A 6 12.811 -17.573 -11.678 1.00 10.00 H new ATOM 0 HG12 ILE A 6 15.225 -19.068 -12.664 1.00 10.00 H new ATOM 0 HG13 ILE A 6 15.369 -17.700 -11.577 1.00 10.00 H new ATOM 0 HG21 ILE A 6 12.504 -19.795 -12.814 1.00 10.00 H new ATOM 0 HG22 ILE A 6 11.736 -18.468 -13.717 1.00 10.00 H new ATOM 0 HG23 ILE A 6 13.292 -19.134 -14.266 1.00 10.00 H new ATOM 0 HD11 ILE A 6 15.290 -19.820 -10.313 1.00 10.00 H new ATOM 0 HD12 ILE A 6 13.863 -18.823 -9.944 1.00 10.00 H new ATOM 0 HD13 ILE A 6 13.717 -20.211 -11.047 1.00 10.00 H new ATOM 94 N ARG A 7 14.318 -14.221 -13.079 1.00 10.00 N ATOM 95 CA ARG A 7 14.771 -13.013 -12.401 1.00 10.00 C ATOM 96 C ARG A 7 13.888 -12.655 -11.206 1.00 10.00 C ATOM 97 O ARG A 7 14.383 -12.198 -10.179 1.00 10.00 O ATOM 98 CB ARG A 7 14.856 -11.849 -13.398 1.00 10.00 C ATOM 99 CG ARG A 7 15.846 -12.136 -14.533 1.00 10.00 C ATOM 100 CD ARG A 7 15.789 -11.029 -15.591 1.00 10.00 C ATOM 101 NE ARG A 7 16.641 -11.341 -16.748 1.00 10.00 N ATOM 102 CZ ARG A 7 16.319 -12.184 -17.741 1.00 10.00 C ATOM 103 NH1 ARG A 7 15.193 -12.906 -17.689 1.00 10.00 N ATOM 104 NH2 ARG A 7 17.133 -12.297 -18.794 1.00 10.00 N ATOM 0 H ARG A 7 14.126 -14.081 -14.071 1.00 10.00 H new ATOM 0 HA ARG A 7 15.767 -13.209 -12.003 1.00 10.00 H new ATOM 0 HB2 ARG A 7 13.868 -11.659 -13.818 1.00 10.00 H new ATOM 0 HB3 ARG A 7 15.159 -10.943 -12.873 1.00 10.00 H new ATOM 0 HG2 ARG A 7 16.856 -12.211 -14.131 1.00 10.00 H new ATOM 0 HG3 ARG A 7 15.613 -13.097 -14.992 1.00 10.00 H new ATOM 0 HD2 ARG A 7 14.759 -10.895 -15.922 1.00 10.00 H new ATOM 0 HD3 ARG A 7 16.107 -10.085 -15.148 1.00 10.00 H new ATOM 0 HE ARG A 7 17.549 -10.880 -16.800 1.00 10.00 H new ATOM 0 HH11 ARG A 7 14.568 -12.819 -16.888 1.00 10.00 H new ATOM 0 HH12 ARG A 7 14.960 -13.543 -18.451 1.00 10.00 H new ATOM 0 HH21 ARG A 7 17.990 -11.745 -18.838 1.00 10.00 H new ATOM 0 HH22 ARG A 7 16.898 -12.935 -19.554 1.00 10.00 H new ATOM 118 N ILE A 8 12.584 -12.863 -11.377 1.00 10.00 N ATOM 119 CA ILE A 8 11.518 -12.579 -10.410 1.00 10.00 C ATOM 120 C ILE A 8 10.700 -13.795 -9.921 1.00 10.00 C ATOM 121 O ILE A 8 10.467 -13.933 -8.721 1.00 10.00 O ATOM 122 CB ILE A 8 10.626 -11.383 -10.834 1.00 10.00 C ATOM 123 CG1 ILE A 8 11.294 -10.367 -11.784 1.00 10.00 C ATOM 124 CG2 ILE A 8 10.192 -10.615 -9.578 1.00 10.00 C ATOM 125 CD1 ILE A 8 11.126 -10.732 -13.263 1.00 10.00 C ATOM 0 H ILE A 8 12.219 -13.257 -12.244 1.00 10.00 H new ATOM 0 HA ILE A 8 12.065 -12.275 -9.518 1.00 10.00 H new ATOM 0 HB ILE A 8 9.794 -11.828 -11.380 1.00 10.00 H new ATOM 0 HG12 ILE A 8 10.868 -9.379 -11.608 1.00 10.00 H new ATOM 0 HG13 ILE A 8 12.357 -10.302 -11.550 1.00 10.00 H new ATOM 0 HG21 ILE A 8 9.564 -9.772 -9.866 1.00 10.00 H new ATOM 0 HG22 ILE A 8 9.629 -11.279 -8.922 1.00 10.00 H new ATOM 0 HG23 ILE A 8 11.074 -10.248 -9.053 1.00 10.00 H new ATOM 0 HD11 ILE A 8 11.617 -9.980 -13.881 1.00 10.00 H new ATOM 0 HD12 ILE A 8 11.576 -11.707 -13.451 1.00 10.00 H new ATOM 0 HD13 ILE A 8 10.065 -10.769 -13.510 1.00 10.00 H new ATOM 137 N PRO A 9 10.221 -14.652 -10.834 1.00 10.00 N ATOM 138 CA PRO A 9 9.358 -15.802 -10.583 1.00 10.00 C ATOM 139 C PRO A 9 9.840 -16.827 -9.555 1.00 10.00 C ATOM 140 O PRO A 9 10.253 -17.933 -9.903 1.00 10.00 O ATOM 141 CB PRO A 9 9.150 -16.456 -11.952 1.00 10.00 C ATOM 142 CG PRO A 9 9.281 -15.271 -12.905 1.00 10.00 C ATOM 143 CD PRO A 9 10.411 -14.489 -12.253 1.00 10.00 C ATOM 0 HA PRO A 9 8.444 -15.435 -10.116 1.00 10.00 H new ATOM 0 HB2 PRO A 9 9.897 -17.224 -12.153 1.00 10.00 H new ATOM 0 HB3 PRO A 9 8.173 -16.934 -12.030 1.00 10.00 H new ATOM 0 HG2 PRO A 9 9.529 -15.584 -13.919 1.00 10.00 H new ATOM 0 HG3 PRO A 9 8.361 -14.690 -12.967 1.00 10.00 H new ATOM 0 HD2 PRO A 9 11.383 -14.870 -12.565 1.00 10.00 H new ATOM 0 HD3 PRO A 9 10.375 -13.437 -12.536 1.00 10.00 H new ATOM 151 N THR A 10 9.766 -16.496 -8.270 1.00 10.00 N ATOM 152 CA THR A 10 10.091 -17.422 -7.200 1.00 10.00 C ATOM 153 C THR A 10 9.279 -17.001 -5.979 1.00 10.00 C ATOM 154 O THR A 10 9.455 -15.891 -5.479 1.00 10.00 O ATOM 155 CB THR A 10 11.605 -17.469 -6.946 1.00 10.00 C ATOM 156 OG1 THR A 10 12.327 -17.455 -8.161 1.00 10.00 O ATOM 157 CG2 THR A 10 11.957 -18.783 -6.256 1.00 10.00 C ATOM 0 H THR A 10 9.477 -15.574 -7.944 1.00 10.00 H new ATOM 0 HA THR A 10 9.825 -18.445 -7.465 1.00 10.00 H new ATOM 0 HB THR A 10 11.863 -16.600 -6.340 1.00 10.00 H new ATOM 0 HG1 THR A 10 13.123 -18.021 -8.075 1.00 10.00 H new ATOM 0 HG21 THR A 10 13.031 -18.822 -6.073 1.00 10.00 H new ATOM 0 HG22 THR A 10 11.425 -18.850 -5.307 1.00 10.00 H new ATOM 0 HG23 THR A 10 11.667 -19.618 -6.894 1.00 10.00 H new ATOM 165 N LEU A 11 8.348 -17.856 -5.545 1.00 10.00 N ATOM 166 CA LEU A 11 7.438 -17.560 -4.451 1.00 10.00 C ATOM 167 C LEU A 11 8.053 -17.938 -3.103 1.00 10.00 C ATOM 168 O LEU A 11 8.039 -19.097 -2.685 1.00 10.00 O ATOM 169 CB LEU A 11 6.093 -18.236 -4.685 1.00 10.00 C ATOM 170 CG LEU A 11 5.437 -17.870 -6.024 1.00 10.00 C ATOM 171 CD1 LEU A 11 3.989 -18.340 -5.946 1.00 10.00 C ATOM 172 CD2 LEU A 11 5.443 -16.369 -6.337 1.00 10.00 C ATOM 0 H LEU A 11 8.209 -18.781 -5.952 1.00 10.00 H new ATOM 0 HA LEU A 11 7.263 -16.485 -4.421 1.00 10.00 H new ATOM 0 HB2 LEU A 11 6.228 -19.317 -4.641 1.00 10.00 H new ATOM 0 HB3 LEU A 11 5.416 -17.966 -3.874 1.00 10.00 H new ATOM 0 HG LEU A 11 6.010 -18.348 -6.819 1.00 10.00 H new ATOM 0 HD11 LEU A 11 3.478 -18.101 -6.879 1.00 10.00 H new ATOM 0 HD12 LEU A 11 3.964 -19.418 -5.784 1.00 10.00 H new ATOM 0 HD13 LEU A 11 3.487 -17.838 -5.119 1.00 10.00 H new ATOM 0 HD21 LEU A 11 4.961 -16.196 -7.299 1.00 10.00 H new ATOM 0 HD22 LEU A 11 4.901 -15.833 -5.558 1.00 10.00 H new ATOM 0 HD23 LEU A 11 6.471 -16.010 -6.376 1.00 10.00 H new ATOM 184 N GLU A 12 8.571 -16.921 -2.426 1.00 10.00 N ATOM 185 CA GLU A 12 9.240 -16.993 -1.139 1.00 10.00 C ATOM 186 C GLU A 12 8.221 -17.175 -0.019 1.00 10.00 C ATOM 187 O GLU A 12 7.269 -16.400 0.084 1.00 10.00 O ATOM 188 CB GLU A 12 10.056 -15.716 -0.907 1.00 10.00 C ATOM 189 CG GLU A 12 11.040 -15.455 -2.052 1.00 10.00 C ATOM 190 CD GLU A 12 11.955 -14.275 -1.743 1.00 10.00 C ATOM 191 OE1 GLU A 12 11.408 -13.177 -1.506 1.00 10.00 O ATOM 192 OE2 GLU A 12 13.187 -14.491 -1.752 1.00 10.00 O ATOM 0 H GLU A 12 8.531 -15.967 -2.785 1.00 10.00 H new ATOM 0 HA GLU A 12 9.911 -17.852 -1.138 1.00 10.00 H new ATOM 0 HB2 GLU A 12 9.381 -14.866 -0.807 1.00 10.00 H new ATOM 0 HB3 GLU A 12 10.604 -15.800 0.031 1.00 10.00 H new ATOM 0 HG2 GLU A 12 11.641 -16.347 -2.227 1.00 10.00 H new ATOM 0 HG3 GLU A 12 10.487 -15.258 -2.971 1.00 10.00 H new ATOM 199 N GLU A 13 8.434 -18.192 0.819 1.00 10.00 N ATOM 200 CA GLU A 13 7.562 -18.509 1.936 1.00 10.00 C ATOM 201 C GLU A 13 7.476 -17.327 2.904 1.00 10.00 C ATOM 202 O GLU A 13 8.501 -16.826 3.366 1.00 10.00 O ATOM 203 CB GLU A 13 8.067 -19.785 2.616 1.00 10.00 C ATOM 204 CG GLU A 13 6.998 -20.371 3.544 1.00 10.00 C ATOM 205 CD GLU A 13 7.327 -21.810 3.921 1.00 10.00 C ATOM 206 OE1 GLU A 13 7.262 -22.654 2.998 1.00 10.00 O ATOM 207 OE2 GLU A 13 7.642 -22.035 5.109 1.00 10.00 O ATOM 0 H GLU A 13 9.230 -18.823 0.734 1.00 10.00 H new ATOM 0 HA GLU A 13 6.548 -18.692 1.580 1.00 10.00 H new ATOM 0 HB2 GLU A 13 8.340 -20.521 1.860 1.00 10.00 H new ATOM 0 HB3 GLU A 13 8.969 -19.565 3.187 1.00 10.00 H new ATOM 0 HG2 GLU A 13 6.923 -19.764 4.446 1.00 10.00 H new ATOM 0 HG3 GLU A 13 6.026 -20.334 3.053 1.00 10.00 H new ATOM 214 N CYS A 14 6.259 -16.881 3.222 1.00 10.00 N ATOM 215 CA CYS A 14 6.072 -15.764 4.130 1.00 10.00 C ATOM 216 C CYS A 14 6.307 -16.239 5.566 1.00 10.00 C ATOM 217 O CYS A 14 5.380 -16.670 6.259 1.00 10.00 O ATOM 218 CB CYS A 14 4.680 -15.165 3.952 1.00 10.00 C ATOM 219 SG CYS A 14 4.419 -13.647 4.906 1.00 10.00 S ATOM 0 H CYS A 14 5.393 -17.281 2.861 1.00 10.00 H new ATOM 0 HA CYS A 14 6.793 -14.978 3.906 1.00 10.00 H new ATOM 0 HB2 CYS A 14 4.517 -14.953 2.895 1.00 10.00 H new ATOM 0 HB3 CYS A 14 3.935 -15.903 4.248 1.00 10.00 H new ATOM 224 N ASP A 15 7.560 -16.147 6.011 1.00 10.00 N ATOM 225 CA ASP A 15 8.010 -16.522 7.348 1.00 10.00 C ATOM 226 C ASP A 15 7.101 -15.929 8.428 1.00 10.00 C ATOM 227 O ASP A 15 6.799 -16.594 9.416 1.00 10.00 O ATOM 228 CB ASP A 15 9.470 -16.093 7.558 1.00 10.00 C ATOM 229 CG ASP A 15 9.634 -14.578 7.678 1.00 10.00 C ATOM 230 OD1 ASP A 15 9.188 -13.882 6.739 1.00 10.00 O ATOM 231 OD2 ASP A 15 10.176 -14.142 8.714 1.00 10.00 O ATOM 0 H ASP A 15 8.318 -15.795 5.426 1.00 10.00 H new ATOM 0 HA ASP A 15 7.953 -17.607 7.435 1.00 10.00 H new ATOM 0 HB2 ASP A 15 9.857 -16.568 8.460 1.00 10.00 H new ATOM 0 HB3 ASP A 15 10.073 -16.454 6.724 1.00 10.00 H new ATOM 236 N VAL A 16 6.647 -14.691 8.218 1.00 10.00 N ATOM 237 CA VAL A 16 5.758 -13.968 9.118 1.00 10.00 C ATOM 238 C VAL A 16 4.534 -14.812 9.503 1.00 10.00 C ATOM 239 O VAL A 16 4.154 -14.831 10.670 1.00 10.00 O ATOM 240 CB VAL A 16 5.361 -12.623 8.482 1.00 10.00 C ATOM 241 CG1 VAL A 16 4.512 -11.797 9.448 1.00 10.00 C ATOM 242 CG2 VAL A 16 6.591 -11.790 8.101 1.00 10.00 C ATOM 0 H VAL A 16 6.898 -14.151 7.390 1.00 10.00 H new ATOM 0 HA VAL A 16 6.288 -13.763 10.048 1.00 10.00 H new ATOM 0 HB VAL A 16 4.792 -12.860 7.583 1.00 10.00 H new ATOM 0 HG11 VAL A 16 4.243 -10.851 8.978 1.00 10.00 H new ATOM 0 HG12 VAL A 16 3.606 -12.348 9.699 1.00 10.00 H new ATOM 0 HG13 VAL A 16 5.081 -11.602 10.357 1.00 10.00 H new ATOM 0 HG21 VAL A 16 6.269 -10.849 7.655 1.00 10.00 H new ATOM 0 HG22 VAL A 16 7.183 -11.586 8.993 1.00 10.00 H new ATOM 0 HG23 VAL A 16 7.197 -12.343 7.383 1.00 10.00 H new ATOM 252 N CYS A 17 3.941 -15.531 8.543 1.00 10.00 N ATOM 253 CA CYS A 17 2.804 -16.417 8.800 1.00 10.00 C ATOM 254 C CYS A 17 3.233 -17.883 8.719 1.00 10.00 C ATOM 255 O CYS A 17 2.402 -18.768 8.516 1.00 10.00 O ATOM 256 CB CYS A 17 1.675 -16.120 7.818 1.00 10.00 C ATOM 257 SG CYS A 17 2.039 -16.285 6.065 1.00 10.00 S ATOM 0 H CYS A 17 4.237 -15.514 7.567 1.00 10.00 H new ATOM 0 HA CYS A 17 2.437 -16.233 9.810 1.00 10.00 H new ATOM 0 HB2 CYS A 17 0.841 -16.782 8.053 1.00 10.00 H new ATOM 0 HB3 CYS A 17 1.333 -15.101 7.997 1.00 10.00 H new ATOM 262 N HIS A 18 4.537 -18.144 8.837 1.00 10.00 N ATOM 263 CA HIS A 18 5.134 -19.467 8.760 1.00 10.00 C ATOM 264 C HIS A 18 4.644 -20.195 7.505 1.00 10.00 C ATOM 265 O HIS A 18 4.370 -21.392 7.530 1.00 10.00 O ATOM 266 CB HIS A 18 4.849 -20.249 10.051 1.00 10.00 C ATOM 267 CG HIS A 18 5.272 -19.559 11.328 1.00 10.00 C ATOM 268 ND1 HIS A 18 6.008 -18.398 11.441 1.00 10.00 N ATOM 269 CD2 HIS A 18 4.968 -19.975 12.596 1.00 10.00 C ATOM 270 CE1 HIS A 18 6.134 -18.123 12.750 1.00 10.00 C ATOM 271 NE2 HIS A 18 5.522 -19.058 13.494 1.00 10.00 N ATOM 0 H HIS A 18 5.226 -17.409 8.994 1.00 10.00 H new ATOM 0 HA HIS A 18 6.217 -19.379 8.673 1.00 10.00 H new ATOM 0 HB2 HIS A 18 3.780 -20.454 10.104 1.00 10.00 H new ATOM 0 HB3 HIS A 18 5.355 -21.212 9.993 1.00 10.00 H new ATOM 0 HD1 HIS A 18 6.388 -17.848 10.671 1.00 10.00 H new ATOM 0 HD2 HIS A 18 4.400 -20.856 12.857 1.00 10.00 H new ATOM 0 HE1 HIS A 18 6.657 -17.266 13.149 1.00 10.00 H new ATOM 279 N GLY A 19 4.510 -19.455 6.400 1.00 10.00 N ATOM 280 CA GLY A 19 4.063 -20.009 5.135 1.00 10.00 C ATOM 281 C GLY A 19 2.573 -20.359 5.056 1.00 10.00 C ATOM 282 O GLY A 19 2.122 -20.759 3.986 1.00 10.00 O ATOM 0 H GLY A 19 4.710 -18.455 6.366 1.00 10.00 H new ATOM 0 HA2 GLY A 19 4.293 -19.295 4.344 1.00 10.00 H new ATOM 0 HA3 GLY A 19 4.641 -20.910 4.929 1.00 10.00 H new ATOM 286 N SER A 20 1.795 -20.236 6.141 1.00 10.00 N ATOM 287 CA SER A 20 0.385 -20.614 6.101 1.00 10.00 C ATOM 288 C SER A 20 -0.432 -19.602 5.300 1.00 10.00 C ATOM 289 O SER A 20 -1.015 -19.912 4.263 1.00 10.00 O ATOM 290 CB SER A 20 -0.179 -20.767 7.526 1.00 10.00 C ATOM 291 OG SER A 20 -0.167 -19.545 8.251 1.00 10.00 O ATOM 0 H SER A 20 2.117 -19.883 7.042 1.00 10.00 H new ATOM 0 HA SER A 20 0.309 -21.578 5.599 1.00 10.00 H new ATOM 0 HB2 SER A 20 -1.201 -21.142 7.470 1.00 10.00 H new ATOM 0 HB3 SER A 20 0.405 -21.512 8.066 1.00 10.00 H new ATOM 0 HG SER A 20 0.751 -19.207 8.308 1.00 10.00 H new ATOM 297 N GLY A 21 -0.499 -18.397 5.859 1.00 10.00 N ATOM 298 CA GLY A 21 -1.283 -17.264 5.409 1.00 10.00 C ATOM 299 C GLY A 21 -1.972 -16.590 6.602 1.00 10.00 C ATOM 300 O GLY A 21 -2.565 -15.529 6.433 1.00 10.00 O ATOM 0 H GLY A 21 0.035 -18.177 6.700 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -0.640 -16.547 4.898 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -2.030 -17.593 4.687 1.00 10.00 H new ATOM 304 N ALA A 22 -1.917 -17.184 7.802 1.00 10.00 N ATOM 305 CA ALA A 22 -2.549 -16.625 8.992 1.00 10.00 C ATOM 306 C ALA A 22 -1.733 -15.458 9.550 1.00 10.00 C ATOM 307 O ALA A 22 -0.509 -15.537 9.581 1.00 10.00 O ATOM 308 CB ALA A 22 -2.662 -17.725 10.043 1.00 10.00 C ATOM 0 H ALA A 22 -1.432 -18.065 7.969 1.00 10.00 H new ATOM 0 HA ALA A 22 -3.537 -16.247 8.729 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -3.133 -17.324 10.940 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -3.267 -18.543 9.650 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -1.667 -18.096 10.290 1.00 10.00 H new ATOM 314 N LYS A 23 -2.377 -14.375 9.990 1.00 10.00 N ATOM 315 CA LYS A 23 -1.668 -13.229 10.553 1.00 10.00 C ATOM 316 C LYS A 23 -0.698 -13.680 11.662 1.00 10.00 C ATOM 317 O LYS A 23 -1.012 -14.610 12.401 1.00 10.00 O ATOM 318 CB LYS A 23 -2.655 -12.153 11.035 1.00 10.00 C ATOM 319 CG LYS A 23 -3.522 -12.642 12.200 1.00 10.00 C ATOM 320 CD LYS A 23 -4.580 -11.616 12.626 1.00 10.00 C ATOM 321 CE LYS A 23 -3.958 -10.408 13.335 1.00 10.00 C ATOM 322 NZ LYS A 23 -4.997 -9.508 13.863 1.00 10.00 N ATOM 0 H LYS A 23 -3.391 -14.270 9.966 1.00 10.00 H new ATOM 0 HA LYS A 23 -1.065 -12.772 9.769 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -2.101 -11.267 11.344 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -3.298 -11.855 10.207 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -4.017 -13.570 11.914 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -2.882 -12.872 13.052 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -5.130 -11.277 11.748 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -5.301 -12.093 13.289 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -3.321 -10.750 14.150 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -3.320 -9.863 12.639 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -4.547 -8.699 14.338 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -5.589 -9.164 13.080 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -5.589 -10.024 14.545 1.00 10.00 H new ATOM 336 N PRO A 24 0.475 -13.043 11.802 1.00 10.00 N ATOM 337 CA PRO A 24 1.494 -13.443 12.768 1.00 10.00 C ATOM 338 C PRO A 24 0.953 -13.654 14.185 1.00 10.00 C ATOM 339 O PRO A 24 1.411 -14.548 14.892 1.00 10.00 O ATOM 340 CB PRO A 24 2.585 -12.365 12.711 1.00 10.00 C ATOM 341 CG PRO A 24 1.948 -11.207 11.940 1.00 10.00 C ATOM 342 CD PRO A 24 0.930 -11.898 11.035 1.00 10.00 C ATOM 0 HA PRO A 24 1.892 -14.423 12.503 1.00 10.00 H new ATOM 0 HB2 PRO A 24 2.888 -12.055 13.711 1.00 10.00 H new ATOM 0 HB3 PRO A 24 3.479 -12.732 12.206 1.00 10.00 H new ATOM 0 HG2 PRO A 24 1.469 -10.493 12.611 1.00 10.00 H new ATOM 0 HG3 PRO A 24 2.689 -10.654 11.362 1.00 10.00 H new ATOM 0 HD2 PRO A 24 0.103 -11.232 10.788 1.00 10.00 H new ATOM 0 HD3 PRO A 24 1.383 -12.207 10.093 1.00 10.00 H new ATOM 350 N GLY A 25 -0.007 -12.830 14.611 1.00 10.00 N ATOM 351 CA GLY A 25 -0.569 -12.909 15.951 1.00 10.00 C ATOM 352 C GLY A 25 -1.789 -13.823 16.091 1.00 10.00 C ATOM 353 O GLY A 25 -2.460 -13.738 17.119 1.00 10.00 O ATOM 0 H GLY A 25 -0.412 -12.093 14.034 1.00 10.00 H new ATOM 0 HA2 GLY A 25 0.206 -13.257 16.633 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -0.848 -11.905 16.271 1.00 10.00 H new ATOM 357 N THR A 26 -2.136 -14.672 15.111 1.00 10.00 N ATOM 358 CA THR A 26 -3.315 -15.533 15.239 1.00 10.00 C ATOM 359 C THR A 26 -3.184 -16.776 14.353 1.00 10.00 C ATOM 360 O THR A 26 -2.604 -16.715 13.274 1.00 10.00 O ATOM 361 CB THR A 26 -4.596 -14.741 14.903 1.00 10.00 C ATOM 362 OG1 THR A 26 -4.592 -13.456 15.494 1.00 10.00 O ATOM 363 CG2 THR A 26 -5.871 -15.449 15.368 1.00 10.00 C ATOM 0 H THR A 26 -1.624 -14.778 14.235 1.00 10.00 H new ATOM 0 HA THR A 26 -3.385 -15.872 16.273 1.00 10.00 H new ATOM 0 HB THR A 26 -4.596 -14.663 13.816 1.00 10.00 H new ATOM 0 HG1 THR A 26 -4.100 -13.487 16.341 1.00 10.00 H new ATOM 0 HG21 THR A 26 -6.739 -14.845 15.104 1.00 10.00 H new ATOM 0 HG22 THR A 26 -5.945 -16.422 14.882 1.00 10.00 H new ATOM 0 HG23 THR A 26 -5.838 -15.585 16.449 1.00 10.00 H new ATOM 371 N GLN A 27 -3.738 -17.907 14.795 1.00 10.00 N ATOM 372 CA GLN A 27 -3.737 -19.140 14.012 1.00 10.00 C ATOM 373 C GLN A 27 -4.895 -19.109 13.007 1.00 10.00 C ATOM 374 O GLN A 27 -5.869 -18.396 13.246 1.00 10.00 O ATOM 375 CB GLN A 27 -3.833 -20.373 14.935 1.00 10.00 C ATOM 376 CG GLN A 27 -4.724 -20.248 16.183 1.00 10.00 C ATOM 377 CD GLN A 27 -6.149 -19.761 15.926 1.00 10.00 C ATOM 378 OE1 GLN A 27 -6.552 -18.747 16.487 1.00 10.00 O ATOM 379 NE2 GLN A 27 -6.911 -20.437 15.070 1.00 10.00 N ATOM 0 H GLN A 27 -4.197 -17.992 15.702 1.00 10.00 H new ATOM 0 HA GLN A 27 -2.799 -19.215 13.463 1.00 10.00 H new ATOM 0 HB2 GLN A 27 -4.198 -21.212 14.342 1.00 10.00 H new ATOM 0 HB3 GLN A 27 -2.826 -20.629 15.263 1.00 10.00 H new ATOM 0 HG2 GLN A 27 -4.774 -21.221 16.672 1.00 10.00 H new ATOM 0 HG3 GLN A 27 -4.245 -19.563 16.883 1.00 10.00 H new ATOM 0 HE21 GLN A 27 -6.549 -21.277 14.618 1.00 10.00 H new ATOM 0 HE22 GLN A 27 -7.857 -20.115 14.865 1.00 10.00 H new ATOM 388 N PRO A 28 -4.830 -19.886 11.912 1.00 10.00 N ATOM 389 CA PRO A 28 -5.940 -20.013 10.984 1.00 10.00 C ATOM 390 C PRO A 28 -6.962 -20.978 11.595 1.00 10.00 C ATOM 391 O PRO A 28 -6.674 -21.632 12.600 1.00 10.00 O ATOM 392 CB PRO A 28 -5.335 -20.570 9.707 1.00 10.00 C ATOM 393 CG PRO A 28 -4.227 -21.480 10.247 1.00 10.00 C ATOM 394 CD PRO A 28 -3.738 -20.760 11.508 1.00 10.00 C ATOM 0 HA PRO A 28 -6.453 -19.073 10.780 1.00 10.00 H new ATOM 0 HB2 PRO A 28 -6.066 -21.124 9.117 1.00 10.00 H new ATOM 0 HB3 PRO A 28 -4.939 -19.782 9.066 1.00 10.00 H new ATOM 0 HG2 PRO A 28 -4.605 -22.476 10.477 1.00 10.00 H new ATOM 0 HG3 PRO A 28 -3.423 -21.604 9.521 1.00 10.00 H new ATOM 0 HD2 PRO A 28 -3.495 -21.473 12.296 1.00 10.00 H new ATOM 0 HD3 PRO A 28 -2.833 -20.187 11.306 1.00 10.00 H new ATOM 402 N GLN A 29 -8.158 -21.073 11.002 1.00 10.00 N ATOM 403 CA GLN A 29 -9.220 -21.906 11.565 1.00 10.00 C ATOM 404 C GLN A 29 -9.315 -23.228 10.802 1.00 10.00 C ATOM 405 O GLN A 29 -9.618 -23.211 9.614 1.00 10.00 O ATOM 406 CB GLN A 29 -10.557 -21.140 11.575 1.00 10.00 C ATOM 407 CG GLN A 29 -10.428 -19.631 11.860 1.00 10.00 C ATOM 408 CD GLN A 29 -9.434 -19.306 12.974 1.00 10.00 C ATOM 409 OE1 GLN A 29 -9.489 -19.874 14.061 1.00 10.00 O ATOM 410 NE2 GLN A 29 -8.497 -18.400 12.709 1.00 10.00 N ATOM 0 H GLN A 29 -8.410 -20.588 10.141 1.00 10.00 H new ATOM 0 HA GLN A 29 -8.980 -22.145 12.601 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -11.045 -21.274 10.610 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -11.210 -21.584 12.326 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -10.119 -19.122 10.947 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -11.407 -19.235 12.130 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -8.473 -17.942 11.798 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -7.802 -18.163 13.417 1.00 10.00 H new ATOM 419 N THR A 30 -9.044 -24.367 11.449 1.00 10.00 N ATOM 420 CA THR A 30 -9.099 -25.695 10.846 1.00 10.00 C ATOM 421 C THR A 30 -10.338 -25.850 9.962 1.00 10.00 C ATOM 422 O THR A 30 -11.453 -25.686 10.453 1.00 10.00 O ATOM 423 CB THR A 30 -9.131 -26.726 11.981 1.00 10.00 C ATOM 424 OG1 THR A 30 -8.244 -26.299 13.000 1.00 10.00 O ATOM 425 CG2 THR A 30 -8.721 -28.115 11.482 1.00 10.00 C ATOM 0 H THR A 30 -8.774 -24.387 12.432 1.00 10.00 H new ATOM 0 HA THR A 30 -8.225 -25.845 10.212 1.00 10.00 H new ATOM 0 HB THR A 30 -10.148 -26.800 12.366 1.00 10.00 H new ATOM 0 HG1 THR A 30 -8.254 -26.947 13.735 1.00 10.00 H new ATOM 0 HG21 THR A 30 -8.754 -28.823 12.310 1.00 10.00 H new ATOM 0 HG22 THR A 30 -9.408 -28.438 10.700 1.00 10.00 H new ATOM 0 HG23 THR A 30 -7.709 -28.073 11.080 1.00 10.00 H new ATOM 433 N CYS A 31 -10.167 -26.168 8.675 1.00 10.00 N ATOM 434 CA CYS A 31 -11.302 -26.323 7.778 1.00 10.00 C ATOM 435 C CYS A 31 -12.136 -27.529 8.224 1.00 10.00 C ATOM 436 O CYS A 31 -11.634 -28.656 8.177 1.00 10.00 O ATOM 437 CB CYS A 31 -10.824 -26.498 6.339 1.00 10.00 C ATOM 438 SG CYS A 31 -12.179 -26.545 5.130 1.00 10.00 S ATOM 0 H CYS A 31 -9.258 -26.321 8.239 1.00 10.00 H new ATOM 0 HA CYS A 31 -11.921 -25.427 7.818 1.00 10.00 H new ATOM 0 HB2 CYS A 31 -10.149 -25.680 6.086 1.00 10.00 H new ATOM 0 HB3 CYS A 31 -10.248 -27.421 6.265 1.00 10.00 H new ATOM 443 N PRO A 32 -13.393 -27.335 8.656 1.00 10.00 N ATOM 444 CA PRO A 32 -14.212 -28.428 9.139 1.00 10.00 C ATOM 445 C PRO A 32 -14.644 -29.330 7.985 1.00 10.00 C ATOM 446 O PRO A 32 -14.702 -30.546 8.155 1.00 10.00 O ATOM 447 CB PRO A 32 -15.382 -27.762 9.863 1.00 10.00 C ATOM 448 CG PRO A 32 -15.560 -26.446 9.106 1.00 10.00 C ATOM 449 CD PRO A 32 -14.124 -26.076 8.730 1.00 10.00 C ATOM 0 HA PRO A 32 -13.678 -29.091 9.820 1.00 10.00 H new ATOM 0 HB2 PRO A 32 -16.282 -28.375 9.821 1.00 10.00 H new ATOM 0 HB3 PRO A 32 -15.160 -27.593 10.917 1.00 10.00 H new ATOM 0 HG2 PRO A 32 -16.190 -26.568 8.225 1.00 10.00 H new ATOM 0 HG3 PRO A 32 -16.025 -25.681 9.728 1.00 10.00 H new ATOM 0 HD2 PRO A 32 -14.093 -25.550 7.776 1.00 10.00 H new ATOM 0 HD3 PRO A 32 -13.684 -25.412 9.474 1.00 10.00 H new ATOM 457 N THR A 33 -14.917 -28.756 6.809 1.00 10.00 N ATOM 458 CA THR A 33 -15.336 -29.453 5.600 1.00 10.00 C ATOM 459 C THR A 33 -14.501 -30.707 5.315 1.00 10.00 C ATOM 460 O THR A 33 -15.042 -31.727 4.898 1.00 10.00 O ATOM 461 CB THR A 33 -15.249 -28.454 4.436 1.00 10.00 C ATOM 462 OG1 THR A 33 -15.586 -27.161 4.908 1.00 10.00 O ATOM 463 CG2 THR A 33 -16.170 -28.836 3.274 1.00 10.00 C ATOM 0 H THR A 33 -14.847 -27.747 6.673 1.00 10.00 H new ATOM 0 HA THR A 33 -16.357 -29.810 5.731 1.00 10.00 H new ATOM 0 HB THR A 33 -14.227 -28.468 4.058 1.00 10.00 H new ATOM 0 HG1 THR A 33 -14.767 -26.651 5.078 1.00 10.00 H new ATOM 0 HG21 THR A 33 -16.073 -28.100 2.476 1.00 10.00 H new ATOM 0 HG22 THR A 33 -15.891 -29.820 2.896 1.00 10.00 H new ATOM 0 HG23 THR A 33 -17.203 -28.861 3.621 1.00 10.00 H new ATOM 471 N CYS A 34 -13.186 -30.622 5.545 1.00 10.00 N ATOM 472 CA CYS A 34 -12.248 -31.723 5.348 1.00 10.00 C ATOM 473 C CYS A 34 -11.622 -32.179 6.670 1.00 10.00 C ATOM 474 O CYS A 34 -10.639 -32.917 6.654 1.00 10.00 O ATOM 475 CB CYS A 34 -11.181 -31.302 4.332 1.00 10.00 C ATOM 476 SG CYS A 34 -10.330 -29.740 4.647 1.00 10.00 S ATOM 0 H CYS A 34 -12.740 -29.768 5.880 1.00 10.00 H new ATOM 0 HA CYS A 34 -12.791 -32.582 4.955 1.00 10.00 H new ATOM 0 HB2 CYS A 34 -10.432 -32.092 4.278 1.00 10.00 H new ATOM 0 HB3 CYS A 34 -11.651 -31.241 3.351 1.00 10.00 H new ATOM 481 N HIS A 35 -12.157 -31.740 7.813 1.00 10.00 N ATOM 482 CA HIS A 35 -11.629 -32.059 9.139 1.00 10.00 C ATOM 483 C HIS A 35 -10.118 -31.787 9.182 1.00 10.00 C ATOM 484 O HIS A 35 -9.349 -32.590 9.701 1.00 10.00 O ATOM 485 CB HIS A 35 -11.943 -33.517 9.520 1.00 10.00 C ATOM 486 CG HIS A 35 -13.398 -33.925 9.495 1.00 10.00 C ATOM 487 ND1 HIS A 35 -14.483 -33.138 9.179 1.00 10.00 N ATOM 488 CD2 HIS A 35 -13.874 -35.177 9.781 1.00 10.00 C ATOM 489 CE1 HIS A 35 -15.583 -33.903 9.272 1.00 10.00 C ATOM 490 NE2 HIS A 35 -15.264 -35.155 9.638 1.00 10.00 N ATOM 0 H HIS A 35 -12.983 -31.143 7.841 1.00 10.00 H new ATOM 0 HA HIS A 35 -12.116 -31.417 9.873 1.00 10.00 H new ATOM 0 HB2 HIS A 35 -11.394 -34.172 8.843 1.00 10.00 H new ATOM 0 HB3 HIS A 35 -11.556 -33.698 10.523 1.00 10.00 H new ATOM 0 HD1 HIS A 35 -14.456 -32.152 8.921 1.00 10.00 H new ATOM 0 HD2 HIS A 35 -13.279 -36.032 10.067 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -16.588 -33.558 9.079 1.00 10.00 H new ATOM 498 N GLY A 36 -9.678 -30.667 8.601 1.00 10.00 N ATOM 499 CA GLY A 36 -8.267 -30.308 8.542 1.00 10.00 C ATOM 500 C GLY A 36 -7.431 -31.138 7.554 1.00 10.00 C ATOM 501 O GLY A 36 -6.278 -30.800 7.309 1.00 10.00 O ATOM 0 H GLY A 36 -10.295 -29.986 8.159 1.00 10.00 H new ATOM 0 HA2 GLY A 36 -8.185 -29.256 8.270 1.00 10.00 H new ATOM 0 HA3 GLY A 36 -7.838 -30.414 9.538 1.00 10.00 H new ATOM 505 N SER A 37 -7.980 -32.207 6.964 1.00 10.00 N ATOM 506 CA SER A 37 -7.271 -33.100 6.045 1.00 10.00 C ATOM 507 C SER A 37 -6.905 -32.453 4.702 1.00 10.00 C ATOM 508 O SER A 37 -6.209 -33.068 3.893 1.00 10.00 O ATOM 509 CB SER A 37 -8.111 -34.361 5.803 1.00 10.00 C ATOM 510 OG SER A 37 -8.698 -34.817 7.005 1.00 10.00 O ATOM 0 H SER A 37 -8.951 -32.479 7.117 1.00 10.00 H new ATOM 0 HA SER A 37 -6.326 -33.350 6.528 1.00 10.00 H new ATOM 0 HB2 SER A 37 -8.890 -34.148 5.071 1.00 10.00 H new ATOM 0 HB3 SER A 37 -7.483 -35.145 5.381 1.00 10.00 H new ATOM 0 HG SER A 37 -9.537 -34.335 7.163 1.00 10.00 H new ATOM 516 N GLY A 38 -7.406 -31.244 4.436 1.00 10.00 N ATOM 517 CA GLY A 38 -7.147 -30.490 3.213 1.00 10.00 C ATOM 518 C GLY A 38 -7.675 -31.168 1.947 1.00 10.00 C ATOM 519 O GLY A 38 -7.311 -30.771 0.842 1.00 10.00 O ATOM 0 H GLY A 38 -8.020 -30.752 5.085 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -7.602 -29.503 3.302 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -6.072 -30.338 3.112 1.00 10.00 H new ATOM 523 N GLN A 39 -8.547 -32.171 2.086 1.00 10.00 N ATOM 524 CA GLN A 39 -9.088 -32.923 0.970 1.00 10.00 C ATOM 525 C GLN A 39 -10.535 -33.316 1.255 1.00 10.00 C ATOM 526 O GLN A 39 -10.870 -33.660 2.385 1.00 10.00 O ATOM 527 CB GLN A 39 -8.193 -34.142 0.711 1.00 10.00 C ATOM 528 CG GLN A 39 -8.263 -35.164 1.858 1.00 10.00 C ATOM 529 CD GLN A 39 -7.025 -36.047 1.915 1.00 10.00 C ATOM 530 OE1 GLN A 39 -7.042 -37.184 1.449 1.00 10.00 O ATOM 531 NE2 GLN A 39 -5.945 -35.535 2.499 1.00 10.00 N ATOM 0 H GLN A 39 -8.896 -32.481 2.993 1.00 10.00 H new ATOM 0 HA GLN A 39 -9.097 -32.312 0.068 1.00 10.00 H new ATOM 0 HB2 GLN A 39 -8.495 -34.621 -0.220 1.00 10.00 H new ATOM 0 HB3 GLN A 39 -7.162 -33.813 0.581 1.00 10.00 H new ATOM 0 HG2 GLN A 39 -8.376 -34.637 2.806 1.00 10.00 H new ATOM 0 HG3 GLN A 39 -9.148 -35.788 1.733 1.00 10.00 H new ATOM 0 HE21 GLN A 39 -5.969 -34.587 2.874 1.00 10.00 H new ATOM 0 HE22 GLN A 39 -5.093 -36.091 2.572 1.00 10.00 H new ATOM 540 N VAL A 40 -11.373 -33.280 0.222 1.00 10.00 N ATOM 541 CA VAL A 40 -12.774 -33.668 0.254 1.00 10.00 C ATOM 542 C VAL A 40 -12.872 -35.028 -0.417 1.00 10.00 C ATOM 543 O VAL A 40 -12.296 -35.226 -1.487 1.00 10.00 O ATOM 544 CB VAL A 40 -13.644 -32.654 -0.501 1.00 10.00 C ATOM 545 CG1 VAL A 40 -13.923 -31.440 0.379 1.00 10.00 C ATOM 546 CG2 VAL A 40 -12.994 -32.217 -1.817 1.00 10.00 C ATOM 0 H VAL A 40 -11.076 -32.964 -0.701 1.00 10.00 H new ATOM 0 HA VAL A 40 -13.132 -33.703 1.283 1.00 10.00 H new ATOM 0 HB VAL A 40 -14.586 -33.144 -0.745 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -14.541 -30.728 -0.168 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -14.447 -31.757 1.281 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -12.981 -30.966 0.654 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -13.641 -31.499 -2.322 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -12.029 -31.753 -1.610 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -12.848 -33.087 -2.457 1.00 10.00 H new ATOM 556 N GLN A 41 -13.587 -35.957 0.209 1.00 10.00 N ATOM 557 CA GLN A 41 -13.734 -37.308 -0.289 1.00 10.00 C ATOM 558 C GLN A 41 -15.048 -37.454 -1.055 1.00 10.00 C ATOM 559 O GLN A 41 -16.128 -37.443 -0.470 1.00 10.00 O ATOM 560 CB GLN A 41 -13.588 -38.261 0.890 1.00 10.00 C ATOM 561 CG GLN A 41 -13.350 -39.708 0.430 1.00 10.00 C ATOM 562 CD GLN A 41 -13.049 -40.634 1.605 1.00 10.00 C ATOM 563 OE1 GLN A 41 -13.400 -40.347 2.745 1.00 10.00 O ATOM 564 NE2 GLN A 41 -12.392 -41.759 1.343 1.00 10.00 N ATOM 0 H GLN A 41 -14.083 -35.786 1.084 1.00 10.00 H new ATOM 0 HA GLN A 41 -12.957 -37.557 -1.012 1.00 10.00 H new ATOM 0 HB2 GLN A 41 -12.757 -37.938 1.517 1.00 10.00 H new ATOM 0 HB3 GLN A 41 -14.487 -38.219 1.505 1.00 10.00 H new ATOM 0 HG2 GLN A 41 -14.230 -40.070 -0.102 1.00 10.00 H new ATOM 0 HG3 GLN A 41 -12.519 -39.733 -0.275 1.00 10.00 H new ATOM 0 HE21 GLN A 41 -12.111 -41.975 0.386 1.00 10.00 H new ATOM 0 HE22 GLN A 41 -12.169 -42.407 2.098 1.00 10.00 H new ATOM 573 N MET A 42 -14.941 -37.601 -2.376 1.00 10.00 N ATOM 574 CA MET A 42 -16.065 -37.810 -3.270 1.00 10.00 C ATOM 575 C MET A 42 -16.647 -39.204 -3.006 1.00 10.00 C ATOM 576 O MET A 42 -16.244 -40.191 -3.619 1.00 10.00 O ATOM 577 CB MET A 42 -15.617 -37.630 -4.735 1.00 10.00 C ATOM 578 CG MET A 42 -16.661 -36.854 -5.544 1.00 10.00 C ATOM 579 SD MET A 42 -18.322 -37.575 -5.559 1.00 10.00 S ATOM 580 CE MET A 42 -19.193 -36.335 -6.541 1.00 10.00 C ATOM 0 H MET A 42 -14.043 -37.576 -2.860 1.00 10.00 H new ATOM 0 HA MET A 42 -16.845 -37.072 -3.086 1.00 10.00 H new ATOM 0 HB2 MET A 42 -14.664 -37.101 -4.764 1.00 10.00 H new ATOM 0 HB3 MET A 42 -15.453 -38.607 -5.190 1.00 10.00 H new ATOM 0 HG2 MET A 42 -16.726 -35.842 -5.145 1.00 10.00 H new ATOM 0 HG3 MET A 42 -16.310 -36.770 -6.573 1.00 10.00 H new ATOM 0 HE1 MET A 42 -20.238 -36.625 -6.649 1.00 10.00 H new ATOM 0 HE2 MET A 42 -19.134 -35.368 -6.041 1.00 10.00 H new ATOM 0 HE3 MET A 42 -18.733 -36.262 -7.526 1.00 10.00 H new ATOM 590 N ARG A 43 -17.588 -39.298 -2.066 1.00 10.00 N ATOM 591 CA ARG A 43 -18.231 -40.550 -1.689 1.00 10.00 C ATOM 592 C ARG A 43 -19.222 -40.988 -2.779 1.00 10.00 C ATOM 593 O ARG A 43 -20.424 -41.088 -2.543 1.00 10.00 O ATOM 594 CB ARG A 43 -18.888 -40.359 -0.307 1.00 10.00 C ATOM 595 CG ARG A 43 -19.453 -41.625 0.362 1.00 10.00 C ATOM 596 CD ARG A 43 -18.375 -42.594 0.865 1.00 10.00 C ATOM 597 NE ARG A 43 -17.704 -43.306 -0.231 1.00 10.00 N ATOM 598 CZ ARG A 43 -18.200 -44.358 -0.896 1.00 10.00 C ATOM 599 NH1 ARG A 43 -19.400 -44.860 -0.600 1.00 10.00 N ATOM 600 NH2 ARG A 43 -17.485 -44.926 -1.868 1.00 10.00 N ATOM 0 H ARG A 43 -17.927 -38.493 -1.540 1.00 10.00 H new ATOM 0 HA ARG A 43 -17.503 -41.357 -1.606 1.00 10.00 H new ATOM 0 HB2 ARG A 43 -18.151 -39.918 0.364 1.00 10.00 H new ATOM 0 HB3 ARG A 43 -19.698 -39.637 -0.410 1.00 10.00 H new ATOM 0 HG2 ARG A 43 -20.084 -41.331 1.201 1.00 10.00 H new ATOM 0 HG3 ARG A 43 -20.093 -42.146 -0.350 1.00 10.00 H new ATOM 0 HD2 ARG A 43 -17.634 -42.041 1.442 1.00 10.00 H new ATOM 0 HD3 ARG A 43 -18.829 -43.319 1.541 1.00 10.00 H new ATOM 0 HE ARG A 43 -16.782 -42.971 -0.509 1.00 10.00 H new ATOM 0 HH11 ARG A 43 -19.958 -44.442 0.145 1.00 10.00 H new ATOM 0 HH12 ARG A 43 -19.760 -45.662 -1.118 1.00 10.00 H new ATOM 0 HH21 ARG A 43 -16.563 -44.559 -2.104 1.00 10.00 H new ATOM 0 HH22 ARG A 43 -17.860 -45.727 -2.376 1.00 10.00 H new ATOM 614 N GLN A 44 -18.728 -41.254 -3.992 1.00 10.00 N ATOM 615 CA GLN A 44 -19.532 -41.631 -5.151 1.00 10.00 C ATOM 616 C GLN A 44 -20.014 -43.086 -5.090 1.00 10.00 C ATOM 617 O GLN A 44 -19.965 -43.798 -6.092 1.00 10.00 O ATOM 618 CB GLN A 44 -18.722 -41.355 -6.428 1.00 10.00 C ATOM 619 CG GLN A 44 -17.423 -42.180 -6.494 1.00 10.00 C ATOM 620 CD GLN A 44 -17.399 -43.132 -7.684 1.00 10.00 C ATOM 621 OE1 GLN A 44 -17.351 -44.347 -7.521 1.00 10.00 O ATOM 622 NE2 GLN A 44 -17.411 -42.592 -8.899 1.00 10.00 N ATOM 0 H GLN A 44 -17.730 -41.211 -4.197 1.00 10.00 H new ATOM 0 HA GLN A 44 -20.438 -41.025 -5.154 1.00 10.00 H new ATOM 0 HB2 GLN A 44 -19.336 -41.581 -7.300 1.00 10.00 H new ATOM 0 HB3 GLN A 44 -18.477 -40.294 -6.477 1.00 10.00 H new ATOM 0 HG2 GLN A 44 -16.570 -41.505 -6.555 1.00 10.00 H new ATOM 0 HG3 GLN A 44 -17.312 -42.752 -5.573 1.00 10.00 H new ATOM 0 HE21 GLN A 44 -17.451 -41.578 -9.006 1.00 10.00 H new ATOM 0 HE22 GLN A 44 -17.380 -43.191 -9.724 1.00 10.00 H new ATOM 631 N GLY A 45 -20.489 -43.541 -3.930 1.00 10.00 N ATOM 632 CA GLY A 45 -20.976 -44.898 -3.747 1.00 10.00 C ATOM 633 C GLY A 45 -19.844 -45.927 -3.737 1.00 10.00 C ATOM 634 O GLY A 45 -19.618 -46.579 -2.719 1.00 10.00 O ATOM 0 H GLY A 45 -20.545 -42.969 -3.087 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -21.528 -44.960 -2.809 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -21.677 -45.141 -4.546 1.00 10.00 H new ATOM 638 N PHE A 46 -19.135 -46.081 -4.858 1.00 10.00 N ATOM 639 CA PHE A 46 -18.083 -47.075 -5.030 1.00 10.00 C ATOM 640 C PHE A 46 -16.698 -46.560 -4.626 1.00 10.00 C ATOM 641 O PHE A 46 -16.196 -46.900 -3.557 1.00 10.00 O ATOM 642 CB PHE A 46 -18.108 -47.609 -6.473 1.00 10.00 C ATOM 643 CG PHE A 46 -19.487 -48.037 -6.940 1.00 10.00 C ATOM 644 CD1 PHE A 46 -19.999 -49.293 -6.567 1.00 10.00 C ATOM 645 CD2 PHE A 46 -20.292 -47.140 -7.669 1.00 10.00 C ATOM 646 CE1 PHE A 46 -21.305 -49.660 -6.938 1.00 10.00 C ATOM 647 CE2 PHE A 46 -21.599 -47.506 -8.035 1.00 10.00 C ATOM 648 CZ PHE A 46 -22.105 -48.766 -7.673 1.00 10.00 C ATOM 0 H PHE A 46 -19.283 -45.504 -5.686 1.00 10.00 H new ATOM 0 HA PHE A 46 -18.287 -47.900 -4.347 1.00 10.00 H new ATOM 0 HB2 PHE A 46 -17.730 -46.837 -7.143 1.00 10.00 H new ATOM 0 HB3 PHE A 46 -17.428 -48.458 -6.549 1.00 10.00 H new ATOM 0 HD1 PHE A 46 -19.389 -49.976 -5.995 1.00 10.00 H new ATOM 0 HD2 PHE A 46 -19.905 -46.171 -7.947 1.00 10.00 H new ATOM 0 HE1 PHE A 46 -21.694 -50.628 -6.659 1.00 10.00 H new ATOM 0 HE2 PHE A 46 -22.215 -46.818 -8.595 1.00 10.00 H new ATOM 0 HZ PHE A 46 -23.108 -49.048 -7.959 1.00 10.00 H new ATOM 658 N PHE A 47 -16.057 -45.765 -5.484 1.00 10.00 N ATOM 659 CA PHE A 47 -14.693 -45.304 -5.286 1.00 10.00 C ATOM 660 C PHE A 47 -14.646 -44.067 -4.395 1.00 10.00 C ATOM 661 O PHE A 47 -14.836 -42.953 -4.875 1.00 10.00 O ATOM 662 CB PHE A 47 -14.046 -45.048 -6.655 1.00 10.00 C ATOM 663 CG PHE A 47 -14.154 -46.230 -7.604 1.00 10.00 C ATOM 664 CD1 PHE A 47 -13.523 -47.446 -7.283 1.00 10.00 C ATOM 665 CD2 PHE A 47 -14.975 -46.152 -8.746 1.00 10.00 C ATOM 666 CE1 PHE A 47 -13.727 -48.582 -8.086 1.00 10.00 C ATOM 667 CE2 PHE A 47 -15.184 -47.289 -9.544 1.00 10.00 C ATOM 668 CZ PHE A 47 -14.563 -48.506 -9.214 1.00 10.00 C ATOM 0 H PHE A 47 -16.481 -45.422 -6.346 1.00 10.00 H new ATOM 0 HA PHE A 47 -14.124 -46.076 -4.768 1.00 10.00 H new ATOM 0 HB2 PHE A 47 -14.517 -44.179 -7.114 1.00 10.00 H new ATOM 0 HB3 PHE A 47 -12.994 -44.802 -6.511 1.00 10.00 H new ATOM 0 HD1 PHE A 47 -12.880 -47.507 -6.417 1.00 10.00 H new ATOM 0 HD2 PHE A 47 -15.445 -45.216 -9.009 1.00 10.00 H new ATOM 0 HE1 PHE A 47 -13.241 -49.514 -7.836 1.00 10.00 H new ATOM 0 HE2 PHE A 47 -15.823 -47.228 -10.413 1.00 10.00 H new ATOM 0 HZ PHE A 47 -14.728 -49.381 -9.826 1.00 10.00 H new ATOM 678 N ALA A 48 -14.365 -44.252 -3.102 1.00 10.00 N ATOM 679 CA ALA A 48 -14.255 -43.161 -2.141 1.00 10.00 C ATOM 680 C ALA A 48 -12.942 -42.381 -2.330 1.00 10.00 C ATOM 681 O ALA A 48 -12.149 -42.275 -1.395 1.00 10.00 O ATOM 682 CB ALA A 48 -14.338 -43.744 -0.723 1.00 10.00 C ATOM 0 H ALA A 48 -14.207 -45.173 -2.693 1.00 10.00 H new ATOM 0 HA ALA A 48 -15.073 -42.459 -2.301 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -14.257 -42.939 0.007 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -15.292 -44.255 -0.595 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -13.524 -44.453 -0.573 1.00 10.00 H new ATOM 688 N VAL A 49 -12.713 -41.813 -3.517 1.00 10.00 N ATOM 689 CA VAL A 49 -11.520 -41.021 -3.801 1.00 10.00 C ATOM 690 C VAL A 49 -11.749 -39.570 -3.400 1.00 10.00 C ATOM 691 O VAL A 49 -12.886 -39.148 -3.196 1.00 10.00 O ATOM 692 CB VAL A 49 -11.087 -41.137 -5.271 1.00 10.00 C ATOM 693 CG1 VAL A 49 -10.263 -42.415 -5.440 1.00 10.00 C ATOM 694 CG2 VAL A 49 -12.251 -41.091 -6.268 1.00 10.00 C ATOM 0 H VAL A 49 -13.353 -41.891 -4.308 1.00 10.00 H new ATOM 0 HA VAL A 49 -10.700 -41.421 -3.205 1.00 10.00 H new ATOM 0 HB VAL A 49 -10.484 -40.260 -5.506 1.00 10.00 H new ATOM 0 HG11 VAL A 49 -9.949 -42.510 -6.479 1.00 10.00 H new ATOM 0 HG12 VAL A 49 -9.384 -42.368 -4.798 1.00 10.00 H new ATOM 0 HG13 VAL A 49 -10.869 -43.278 -5.164 1.00 10.00 H new ATOM 0 HG21 VAL A 49 -11.864 -41.179 -7.283 1.00 10.00 H new ATOM 0 HG22 VAL A 49 -12.934 -41.916 -6.068 1.00 10.00 H new ATOM 0 HG23 VAL A 49 -12.783 -40.145 -6.163 1.00 10.00 H new ATOM 704 N GLN A 50 -10.661 -38.814 -3.257 1.00 10.00 N ATOM 705 CA GLN A 50 -10.706 -37.433 -2.823 1.00 10.00 C ATOM 706 C GLN A 50 -10.209 -36.443 -3.869 1.00 10.00 C ATOM 707 O GLN A 50 -9.643 -36.822 -4.892 1.00 10.00 O ATOM 708 CB GLN A 50 -9.937 -37.292 -1.501 1.00 10.00 C ATOM 709 CG GLN A 50 -8.431 -37.522 -1.670 1.00 10.00 C ATOM 710 CD GLN A 50 -8.055 -38.988 -1.490 1.00 10.00 C ATOM 711 OE1 GLN A 50 -8.212 -39.788 -2.407 1.00 10.00 O ATOM 712 NE2 GLN A 50 -7.565 -39.352 -0.308 1.00 10.00 N ATOM 0 H GLN A 50 -9.718 -39.154 -3.443 1.00 10.00 H new ATOM 0 HA GLN A 50 -11.754 -37.174 -2.670 1.00 10.00 H new ATOM 0 HB2 GLN A 50 -10.105 -36.296 -1.091 1.00 10.00 H new ATOM 0 HB3 GLN A 50 -10.331 -38.005 -0.777 1.00 10.00 H new ATOM 0 HG2 GLN A 50 -8.122 -37.187 -2.660 1.00 10.00 H new ATOM 0 HG3 GLN A 50 -7.888 -36.916 -0.945 1.00 10.00 H new ATOM 0 HE21 GLN A 50 -7.448 -38.659 0.431 1.00 10.00 H new ATOM 0 HE22 GLN A 50 -7.306 -40.324 -0.141 1.00 10.00 H new ATOM 721 N GLN A 51 -10.399 -35.161 -3.554 1.00 10.00 N ATOM 722 CA GLN A 51 -9.955 -34.009 -4.316 1.00 10.00 C ATOM 723 C GLN A 51 -9.459 -32.999 -3.284 1.00 10.00 C ATOM 724 O GLN A 51 -9.928 -33.023 -2.147 1.00 10.00 O ATOM 725 CB GLN A 51 -11.108 -33.391 -5.127 1.00 10.00 C ATOM 726 CG GLN A 51 -11.931 -34.395 -5.951 1.00 10.00 C ATOM 727 CD GLN A 51 -13.321 -34.678 -5.374 1.00 10.00 C ATOM 728 OE1 GLN A 51 -14.304 -34.653 -6.107 1.00 10.00 O ATOM 729 NE2 GLN A 51 -13.455 -34.941 -4.075 1.00 10.00 N ATOM 0 H GLN A 51 -10.898 -34.890 -2.707 1.00 10.00 H new ATOM 0 HA GLN A 51 -9.182 -34.294 -5.030 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -11.777 -32.871 -4.441 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -10.697 -32.640 -5.802 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -12.040 -34.014 -6.966 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -11.379 -35.332 -6.020 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -12.633 -34.960 -3.471 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -14.379 -35.123 -3.684 1.00 10.00 H new ATOM 738 N THR A 52 -8.530 -32.117 -3.649 1.00 10.00 N ATOM 739 CA THR A 52 -8.035 -31.086 -2.751 1.00 10.00 C ATOM 740 C THR A 52 -9.207 -30.208 -2.297 1.00 10.00 C ATOM 741 O THR A 52 -10.033 -29.833 -3.126 1.00 10.00 O ATOM 742 CB THR A 52 -7.006 -30.257 -3.527 1.00 10.00 C ATOM 743 OG1 THR A 52 -6.130 -31.132 -4.212 1.00 10.00 O ATOM 744 CG2 THR A 52 -6.208 -29.340 -2.602 1.00 10.00 C ATOM 0 H THR A 52 -8.103 -32.100 -4.575 1.00 10.00 H new ATOM 0 HA THR A 52 -7.571 -31.519 -1.865 1.00 10.00 H new ATOM 0 HB THR A 52 -7.538 -29.624 -4.238 1.00 10.00 H new ATOM 0 HG1 THR A 52 -5.470 -30.608 -4.712 1.00 10.00 H new ATOM 0 HG21 THR A 52 -5.489 -28.768 -3.188 1.00 10.00 H new ATOM 0 HG22 THR A 52 -6.887 -28.656 -2.094 1.00 10.00 H new ATOM 0 HG23 THR A 52 -5.678 -29.941 -1.863 1.00 10.00 H new ATOM 752 N CYS A 53 -9.300 -29.871 -1.007 1.00 10.00 N ATOM 753 CA CYS A 53 -10.396 -29.038 -0.526 1.00 10.00 C ATOM 754 C CYS A 53 -10.216 -27.611 -1.061 1.00 10.00 C ATOM 755 O CYS A 53 -9.223 -26.967 -0.711 1.00 10.00 O ATOM 756 CB CYS A 53 -10.452 -29.036 1.001 1.00 10.00 C ATOM 757 SG CYS A 53 -11.858 -28.095 1.661 1.00 10.00 S ATOM 0 H CYS A 53 -8.636 -30.160 -0.288 1.00 10.00 H new ATOM 0 HA CYS A 53 -11.339 -29.446 -0.890 1.00 10.00 H new ATOM 0 HB2 CYS A 53 -10.511 -30.064 1.358 1.00 10.00 H new ATOM 0 HB3 CYS A 53 -9.525 -28.616 1.392 1.00 10.00 H new ATOM 762 N PRO A 54 -11.140 -27.092 -1.887 1.00 10.00 N ATOM 763 CA PRO A 54 -11.006 -25.761 -2.454 1.00 10.00 C ATOM 764 C PRO A 54 -11.186 -24.681 -1.388 1.00 10.00 C ATOM 765 O PRO A 54 -10.492 -23.669 -1.423 1.00 10.00 O ATOM 766 CB PRO A 54 -12.073 -25.677 -3.548 1.00 10.00 C ATOM 767 CG PRO A 54 -13.162 -26.633 -3.063 1.00 10.00 C ATOM 768 CD PRO A 54 -12.365 -27.728 -2.354 1.00 10.00 C ATOM 0 HA PRO A 54 -10.010 -25.591 -2.863 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -12.452 -24.661 -3.661 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -11.677 -25.979 -4.518 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -13.861 -26.140 -2.387 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -13.748 -27.032 -3.891 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -12.930 -28.145 -1.521 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -12.143 -28.551 -3.033 1.00 10.00 H new ATOM 776 N HIS A 55 -12.114 -24.892 -0.446 1.00 10.00 N ATOM 777 CA HIS A 55 -12.451 -23.944 0.614 1.00 10.00 C ATOM 778 C HIS A 55 -11.221 -23.391 1.342 1.00 10.00 C ATOM 779 O HIS A 55 -11.189 -22.201 1.664 1.00 10.00 O ATOM 780 CB HIS A 55 -13.434 -24.600 1.595 1.00 10.00 C ATOM 781 CG HIS A 55 -14.112 -23.629 2.533 1.00 10.00 C ATOM 782 ND1 HIS A 55 -13.775 -22.308 2.729 1.00 10.00 N ATOM 783 CD2 HIS A 55 -15.200 -23.899 3.318 1.00 10.00 C ATOM 784 CE1 HIS A 55 -14.649 -21.795 3.613 1.00 10.00 C ATOM 785 NE2 HIS A 55 -15.532 -22.727 4.004 1.00 10.00 N ATOM 0 H HIS A 55 -12.663 -25.750 -0.402 1.00 10.00 H new ATOM 0 HA HIS A 55 -12.925 -23.082 0.145 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -14.197 -25.132 1.027 1.00 10.00 H new ATOM 0 HB3 HIS A 55 -12.899 -25.344 2.185 1.00 10.00 H new ATOM 0 HD1 HIS A 55 -13.004 -21.810 2.285 1.00 10.00 H new ATOM 0 HD2 HIS A 55 -15.711 -24.848 3.394 1.00 10.00 H new ATOM 0 HE1 HIS A 55 -14.641 -20.773 3.961 1.00 10.00 H new ATOM 793 N CYS A 56 -10.224 -24.246 1.591 1.00 10.00 N ATOM 794 CA CYS A 56 -8.968 -23.883 2.241 1.00 10.00 C ATOM 795 C CYS A 56 -7.776 -24.056 1.294 1.00 10.00 C ATOM 796 O CYS A 56 -6.638 -24.130 1.749 1.00 10.00 O ATOM 797 CB CYS A 56 -8.782 -24.717 3.512 1.00 10.00 C ATOM 798 SG CYS A 56 -8.929 -26.506 3.309 1.00 10.00 S ATOM 0 H CYS A 56 -10.273 -25.233 1.339 1.00 10.00 H new ATOM 0 HA CYS A 56 -9.014 -22.828 2.513 1.00 10.00 H new ATOM 0 HB2 CYS A 56 -7.798 -24.497 3.927 1.00 10.00 H new ATOM 0 HB3 CYS A 56 -9.518 -24.392 4.248 1.00 10.00 H new ATOM 803 N GLN A 57 -8.022 -24.119 -0.019 1.00 10.00 N ATOM 804 CA GLN A 57 -6.994 -24.249 -1.042 1.00 10.00 C ATOM 805 C GLN A 57 -5.984 -25.346 -0.675 1.00 10.00 C ATOM 806 O GLN A 57 -4.777 -25.167 -0.809 1.00 10.00 O ATOM 807 CB GLN A 57 -6.313 -22.887 -1.276 1.00 10.00 C ATOM 808 CG GLN A 57 -7.290 -21.745 -1.607 1.00 10.00 C ATOM 809 CD GLN A 57 -8.036 -21.222 -0.378 1.00 10.00 C ATOM 810 OE1 GLN A 57 -7.440 -20.614 0.503 1.00 10.00 O ATOM 811 NE2 GLN A 57 -9.338 -21.477 -0.290 1.00 10.00 N ATOM 0 H GLN A 57 -8.966 -24.080 -0.403 1.00 10.00 H new ATOM 0 HA GLN A 57 -7.461 -24.556 -1.978 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -5.746 -22.619 -0.385 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -5.597 -22.986 -2.092 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -6.739 -20.925 -2.067 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -8.014 -22.095 -2.343 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -9.810 -21.985 -1.038 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -9.865 -21.164 0.525 1.00 10.00 H new ATOM 820 N GLY A 58 -6.481 -26.488 -0.192 1.00 10.00 N ATOM 821 CA GLY A 58 -5.649 -27.618 0.202 1.00 10.00 C ATOM 822 C GLY A 58 -4.844 -27.425 1.494 1.00 10.00 C ATOM 823 O GLY A 58 -4.261 -28.390 1.980 1.00 10.00 O ATOM 0 H GLY A 58 -7.480 -26.651 -0.064 1.00 10.00 H new ATOM 0 HA2 GLY A 58 -6.287 -28.494 0.319 1.00 10.00 H new ATOM 0 HA3 GLY A 58 -4.955 -27.836 -0.609 1.00 10.00 H new ATOM 827 N ARG A 59 -4.805 -26.224 2.083 1.00 10.00 N ATOM 828 CA ARG A 59 -4.032 -25.964 3.295 1.00 10.00 C ATOM 829 C ARG A 59 -4.683 -26.556 4.552 1.00 10.00 C ATOM 830 O ARG A 59 -4.106 -26.485 5.636 1.00 10.00 O ATOM 831 CB ARG A 59 -3.822 -24.450 3.461 1.00 10.00 C ATOM 832 CG ARG A 59 -2.966 -23.873 2.324 1.00 10.00 C ATOM 833 CD ARG A 59 -2.763 -22.363 2.490 1.00 10.00 C ATOM 834 NE ARG A 59 -3.970 -21.610 2.119 1.00 10.00 N ATOM 835 CZ ARG A 59 -4.007 -20.272 2.019 1.00 10.00 C ATOM 836 NH1 ARG A 59 -2.983 -19.523 2.438 1.00 10.00 N ATOM 837 NH2 ARG A 59 -5.080 -19.665 1.503 1.00 10.00 N ATOM 0 H ARG A 59 -5.308 -25.410 1.731 1.00 10.00 H new ATOM 0 HA ARG A 59 -3.068 -26.461 3.180 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -4.789 -23.947 3.481 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -3.340 -24.251 4.418 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -1.997 -24.372 2.306 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -3.446 -24.074 1.366 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -2.500 -22.142 3.524 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -1.926 -22.038 1.872 1.00 10.00 H new ATOM 0 HE ARG A 59 -4.825 -22.132 1.927 1.00 10.00 H new ATOM 0 HH11 ARG A 59 -2.158 -19.967 2.841 1.00 10.00 H new ATOM 0 HH12 ARG A 59 -3.027 -18.507 2.355 1.00 10.00 H new ATOM 0 HH21 ARG A 59 -5.875 -20.219 1.183 1.00 10.00 H new ATOM 0 HH22 ARG A 59 -5.104 -18.648 1.429 1.00 10.00 H new ATOM 851 N GLY A 60 -5.906 -27.087 4.447 1.00 10.00 N ATOM 852 CA GLY A 60 -6.645 -27.642 5.579 1.00 10.00 C ATOM 853 C GLY A 60 -7.022 -26.590 6.629 1.00 10.00 C ATOM 854 O GLY A 60 -7.618 -26.922 7.652 1.00 10.00 O ATOM 0 H GLY A 60 -6.413 -27.143 3.564 1.00 10.00 H new ATOM 0 HA2 GLY A 60 -7.553 -28.121 5.212 1.00 10.00 H new ATOM 0 HA3 GLY A 60 -6.043 -28.418 6.052 1.00 10.00 H new ATOM 858 N THR A 61 -6.674 -25.323 6.400 1.00 10.00 N ATOM 859 CA THR A 61 -6.848 -24.230 7.331 1.00 10.00 C ATOM 860 C THR A 61 -7.464 -23.030 6.611 1.00 10.00 C ATOM 861 O THR A 61 -7.028 -22.651 5.527 1.00 10.00 O ATOM 862 CB THR A 61 -5.466 -23.903 7.915 1.00 10.00 C ATOM 863 OG1 THR A 61 -4.431 -24.078 6.965 1.00 10.00 O ATOM 864 CG2 THR A 61 -5.171 -24.769 9.141 1.00 10.00 C ATOM 0 H THR A 61 -6.247 -25.028 5.522 1.00 10.00 H new ATOM 0 HA THR A 61 -7.528 -24.497 8.140 1.00 10.00 H new ATOM 0 HB THR A 61 -5.494 -22.853 8.206 1.00 10.00 H new ATOM 0 HG1 THR A 61 -4.379 -25.022 6.708 1.00 10.00 H new ATOM 0 HG21 THR A 61 -4.186 -24.518 9.536 1.00 10.00 H new ATOM 0 HG22 THR A 61 -5.926 -24.586 9.906 1.00 10.00 H new ATOM 0 HG23 THR A 61 -5.190 -25.821 8.856 1.00 10.00 H new ATOM 872 N LEU A 62 -8.488 -22.438 7.223 1.00 10.00 N ATOM 873 CA LEU A 62 -9.194 -21.279 6.721 1.00 10.00 C ATOM 874 C LEU A 62 -8.475 -20.032 7.211 1.00 10.00 C ATOM 875 O LEU A 62 -8.383 -19.782 8.420 1.00 10.00 O ATOM 876 CB LEU A 62 -10.647 -21.265 7.213 1.00 10.00 C ATOM 877 CG LEU A 62 -11.468 -22.473 6.742 1.00 10.00 C ATOM 878 CD1 LEU A 62 -12.824 -22.458 7.454 1.00 10.00 C ATOM 879 CD2 LEU A 62 -11.697 -22.434 5.228 1.00 10.00 C ATOM 0 H LEU A 62 -8.856 -22.771 8.114 1.00 10.00 H new ATOM 0 HA LEU A 62 -9.209 -21.310 5.632 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -10.652 -21.236 8.303 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -11.130 -20.351 6.867 1.00 10.00 H new ATOM 0 HG LEU A 62 -10.916 -23.382 6.981 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -13.416 -23.313 7.127 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -12.670 -22.515 8.532 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -13.352 -21.536 7.211 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -12.281 -23.303 4.926 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -12.237 -21.524 4.965 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -10.736 -22.447 4.714 1.00 10.00 H new ATOM 891 N ILE A 63 -7.987 -19.242 6.255 1.00 10.00 N ATOM 892 CA ILE A 63 -7.294 -17.991 6.485 1.00 10.00 C ATOM 893 C ILE A 63 -8.337 -16.908 6.794 1.00 10.00 C ATOM 894 O ILE A 63 -8.476 -15.923 6.075 1.00 10.00 O ATOM 895 CB ILE A 63 -6.427 -17.667 5.250 1.00 10.00 C ATOM 896 CG1 ILE A 63 -5.522 -18.831 4.808 1.00 10.00 C ATOM 897 CG2 ILE A 63 -5.561 -16.431 5.497 1.00 10.00 C ATOM 898 CD1 ILE A 63 -4.488 -19.251 5.853 1.00 10.00 C ATOM 0 H ILE A 63 -8.071 -19.471 5.265 1.00 10.00 H new ATOM 0 HA ILE A 63 -6.621 -18.050 7.340 1.00 10.00 H new ATOM 0 HB ILE A 63 -7.135 -17.478 4.443 1.00 10.00 H new ATOM 0 HG12 ILE A 63 -6.147 -19.691 4.565 1.00 10.00 H new ATOM 0 HG13 ILE A 63 -5.003 -18.546 3.893 1.00 10.00 H new ATOM 0 HG21 ILE A 63 -4.960 -16.225 4.611 1.00 10.00 H new ATOM 0 HG22 ILE A 63 -6.201 -15.575 5.709 1.00 10.00 H new ATOM 0 HG23 ILE A 63 -4.904 -16.611 6.347 1.00 10.00 H new ATOM 0 HD11 ILE A 63 -3.891 -20.076 5.464 1.00 10.00 H new ATOM 0 HD12 ILE A 63 -3.836 -18.407 6.080 1.00 10.00 H new ATOM 0 HD13 ILE A 63 -4.998 -19.570 6.762 1.00 10.00 H new ATOM 910 N LYS A 64 -9.094 -17.096 7.879 1.00 10.00 N ATOM 911 CA LYS A 64 -10.110 -16.137 8.302 1.00 10.00 C ATOM 912 C LYS A 64 -9.443 -14.806 8.677 1.00 10.00 C ATOM 913 O LYS A 64 -10.003 -13.730 8.487 1.00 10.00 O ATOM 914 CB LYS A 64 -10.888 -16.730 9.486 1.00 10.00 C ATOM 915 CG LYS A 64 -12.044 -15.853 9.990 1.00 10.00 C ATOM 916 CD LYS A 64 -13.084 -15.483 8.921 1.00 10.00 C ATOM 917 CE LYS A 64 -13.706 -16.718 8.256 1.00 10.00 C ATOM 918 NZ LYS A 64 -14.791 -16.339 7.336 1.00 10.00 N ATOM 0 H LYS A 64 -9.018 -17.914 8.484 1.00 10.00 H new ATOM 0 HA LYS A 64 -10.809 -15.940 7.489 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -11.286 -17.701 9.193 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -10.195 -16.905 10.309 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -12.549 -16.374 10.803 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -11.630 -14.935 10.408 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -13.872 -14.884 9.377 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -12.612 -14.862 8.159 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -12.938 -17.266 7.710 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -14.093 -17.390 9.022 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -15.192 -17.194 6.901 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -15.534 -15.837 7.863 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -14.414 -15.717 6.592 1.00 10.00 H new ATOM 932 N ASP A 65 -8.239 -14.920 9.240 1.00 10.00 N ATOM 933 CA ASP A 65 -7.359 -13.875 9.739 1.00 10.00 C ATOM 934 C ASP A 65 -6.136 -13.758 8.808 1.00 10.00 C ATOM 935 O ASP A 65 -5.073 -14.286 9.130 1.00 10.00 O ATOM 936 CB ASP A 65 -6.970 -14.270 11.177 1.00 10.00 C ATOM 937 CG ASP A 65 -6.377 -15.683 11.289 1.00 10.00 C ATOM 938 OD1 ASP A 65 -7.121 -16.638 10.964 1.00 10.00 O ATOM 939 OD2 ASP A 65 -5.200 -15.784 11.691 1.00 10.00 O ATOM 0 H ASP A 65 -7.819 -15.841 9.368 1.00 10.00 H new ATOM 0 HA ASP A 65 -7.839 -12.896 9.754 1.00 10.00 H new ATOM 0 HB2 ASP A 65 -6.246 -13.550 11.559 1.00 10.00 H new ATOM 0 HB3 ASP A 65 -7.852 -14.204 11.814 1.00 10.00 H new ATOM 944 N PRO A 66 -6.264 -13.110 7.637 1.00 10.00 N ATOM 945 CA PRO A 66 -5.210 -13.056 6.634 1.00 10.00 C ATOM 946 C PRO A 66 -3.971 -12.235 6.995 1.00 10.00 C ATOM 947 O PRO A 66 -4.051 -11.098 7.457 1.00 10.00 O ATOM 948 CB PRO A 66 -5.871 -12.494 5.369 1.00 10.00 C ATOM 949 CG PRO A 66 -7.003 -11.634 5.931 1.00 10.00 C ATOM 950 CD PRO A 66 -7.462 -12.457 7.133 1.00 10.00 C ATOM 0 HA PRO A 66 -4.809 -14.063 6.517 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -5.172 -11.905 4.775 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -6.248 -13.287 4.723 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -6.656 -10.643 6.224 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -7.804 -11.489 5.206 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -7.912 -11.821 7.895 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -8.215 -13.189 6.843 1.00 10.00 H new ATOM 958 N CYS A 67 -2.807 -12.808 6.680 1.00 10.00 N ATOM 959 CA CYS A 67 -1.513 -12.167 6.774 1.00 10.00 C ATOM 960 C CYS A 67 -1.433 -11.182 5.612 1.00 10.00 C ATOM 961 O CYS A 67 -0.983 -11.536 4.519 1.00 10.00 O ATOM 962 CB CYS A 67 -0.412 -13.229 6.671 1.00 10.00 C ATOM 963 SG CYS A 67 1.285 -12.589 6.704 1.00 10.00 S ATOM 0 H CYS A 67 -2.748 -13.768 6.340 1.00 10.00 H new ATOM 0 HA CYS A 67 -1.382 -11.647 7.723 1.00 10.00 H new ATOM 0 HB2 CYS A 67 -0.533 -13.935 7.492 1.00 10.00 H new ATOM 0 HB3 CYS A 67 -0.554 -13.788 5.746 1.00 10.00 H new ATOM 968 N ASN A 68 -1.916 -9.959 5.846 1.00 10.00 N ATOM 969 CA ASN A 68 -1.972 -8.880 4.865 1.00 10.00 C ATOM 970 C ASN A 68 -0.675 -8.772 4.063 1.00 10.00 C ATOM 971 O ASN A 68 -0.740 -8.567 2.853 1.00 10.00 O ATOM 972 CB ASN A 68 -2.302 -7.549 5.557 1.00 10.00 C ATOM 973 CG ASN A 68 -2.856 -6.467 4.621 1.00 10.00 C ATOM 974 OD1 ASN A 68 -3.658 -5.648 5.054 1.00 10.00 O ATOM 975 ND2 ASN A 68 -2.471 -6.424 3.346 1.00 10.00 N ATOM 0 H ASN A 68 -2.291 -9.687 6.755 1.00 10.00 H new ATOM 0 HA ASN A 68 -2.767 -9.114 4.157 1.00 10.00 H new ATOM 0 HB2 ASN A 68 -3.029 -7.735 6.347 1.00 10.00 H new ATOM 0 HB3 ASN A 68 -1.400 -7.170 6.037 1.00 10.00 H new ATOM 0 HD21 ASN A 68 -2.844 -5.706 2.724 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -1.803 -7.109 2.992 1.00 10.00 H new ATOM 982 N LYS A 69 0.484 -8.924 4.718 1.00 10.00 N ATOM 983 CA LYS A 69 1.797 -8.864 4.078 1.00 10.00 C ATOM 984 C LYS A 69 1.850 -9.694 2.790 1.00 10.00 C ATOM 985 O LYS A 69 2.467 -9.271 1.816 1.00 10.00 O ATOM 986 CB LYS A 69 2.888 -9.314 5.063 1.00 10.00 C ATOM 987 CG LYS A 69 4.286 -9.040 4.491 1.00 10.00 C ATOM 988 CD LYS A 69 5.386 -9.496 5.454 1.00 10.00 C ATOM 989 CE LYS A 69 6.762 -9.207 4.841 1.00 10.00 C ATOM 990 NZ LYS A 69 7.857 -9.643 5.726 1.00 10.00 N ATOM 0 H LYS A 69 0.532 -9.095 5.723 1.00 10.00 H new ATOM 0 HA LYS A 69 1.979 -7.827 3.795 1.00 10.00 H new ATOM 0 HB2 LYS A 69 2.768 -8.788 6.010 1.00 10.00 H new ATOM 0 HB3 LYS A 69 2.778 -10.378 5.273 1.00 10.00 H new ATOM 0 HG2 LYS A 69 4.398 -9.557 3.538 1.00 10.00 H new ATOM 0 HG3 LYS A 69 4.396 -7.974 4.290 1.00 10.00 H new ATOM 0 HD2 LYS A 69 5.286 -8.978 6.408 1.00 10.00 H new ATOM 0 HD3 LYS A 69 5.285 -10.562 5.659 1.00 10.00 H new ATOM 0 HE2 LYS A 69 6.846 -9.716 3.881 1.00 10.00 H new ATOM 0 HE3 LYS A 69 6.856 -8.139 4.645 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 8.771 -9.431 5.278 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 7.791 -9.139 6.633 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 7.782 -10.667 5.892 1.00 10.00 H new ATOM 1004 N CYS A 70 1.203 -10.864 2.785 1.00 10.00 N ATOM 1005 CA CYS A 70 1.145 -11.747 1.627 1.00 10.00 C ATOM 1006 C CYS A 70 -0.306 -12.008 1.226 1.00 10.00 C ATOM 1007 O CYS A 70 -0.595 -13.030 0.608 1.00 10.00 O ATOM 1008 CB CYS A 70 1.862 -13.058 1.966 1.00 10.00 C ATOM 1009 SG CYS A 70 1.083 -14.042 3.269 1.00 10.00 S ATOM 0 H CYS A 70 0.701 -11.224 3.597 1.00 10.00 H new ATOM 0 HA CYS A 70 1.642 -11.274 0.780 1.00 10.00 H new ATOM 0 HB2 CYS A 70 1.925 -13.664 1.062 1.00 10.00 H new ATOM 0 HB3 CYS A 70 2.884 -12.828 2.267 1.00 10.00 H new ATOM 1014 N HIS A 71 -1.227 -11.113 1.600 1.00 10.00 N ATOM 1015 CA HIS A 71 -2.656 -11.242 1.343 1.00 10.00 C ATOM 1016 C HIS A 71 -3.151 -12.661 1.683 1.00 10.00 C ATOM 1017 O HIS A 71 -3.957 -13.247 0.959 1.00 10.00 O ATOM 1018 CB HIS A 71 -2.935 -10.809 -0.106 1.00 10.00 C ATOM 1019 CG HIS A 71 -4.383 -10.505 -0.409 1.00 10.00 C ATOM 1020 ND1 HIS A 71 -5.444 -11.363 -0.242 1.00 10.00 N ATOM 1021 CD2 HIS A 71 -4.878 -9.333 -0.916 1.00 10.00 C ATOM 1022 CE1 HIS A 71 -6.556 -10.721 -0.637 1.00 10.00 C ATOM 1023 NE2 HIS A 71 -6.262 -9.479 -1.055 1.00 10.00 N ATOM 0 H HIS A 71 -0.987 -10.258 2.103 1.00 10.00 H new ATOM 0 HA HIS A 71 -3.228 -10.583 1.996 1.00 10.00 H new ATOM 0 HB2 HIS A 71 -2.339 -9.924 -0.327 1.00 10.00 H new ATOM 0 HB3 HIS A 71 -2.596 -11.598 -0.778 1.00 10.00 H new ATOM 0 HD1 HIS A 71 -5.396 -12.316 0.117 1.00 10.00 H new ATOM 0 HD2 HIS A 71 -4.303 -8.453 -1.164 1.00 10.00 H new ATOM 0 HE1 HIS A 71 -7.549 -11.145 -0.621 1.00 10.00 H new ATOM 1031 N GLY A 72 -2.651 -13.240 2.780 1.00 10.00 N ATOM 1032 CA GLY A 72 -3.015 -14.582 3.208 1.00 10.00 C ATOM 1033 C GLY A 72 -2.741 -15.693 2.184 1.00 10.00 C ATOM 1034 O GLY A 72 -3.282 -16.788 2.321 1.00 10.00 O ATOM 0 H GLY A 72 -1.979 -12.782 3.395 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -2.472 -14.813 4.125 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -4.077 -14.592 3.455 1.00 10.00 H new ATOM 1038 N HIS A 73 -1.898 -15.454 1.173 1.00 10.00 N ATOM 1039 CA HIS A 73 -1.559 -16.459 0.168 1.00 10.00 C ATOM 1040 C HIS A 73 -0.614 -17.506 0.761 1.00 10.00 C ATOM 1041 O HIS A 73 -0.695 -18.682 0.422 1.00 10.00 O ATOM 1042 CB HIS A 73 -0.907 -15.796 -1.052 1.00 10.00 C ATOM 1043 CG HIS A 73 -1.836 -14.931 -1.871 1.00 10.00 C ATOM 1044 ND1 HIS A 73 -2.968 -14.283 -1.430 1.00 10.00 N ATOM 1045 CD2 HIS A 73 -1.710 -14.670 -3.210 1.00 10.00 C ATOM 1046 CE1 HIS A 73 -3.510 -13.651 -2.484 1.00 10.00 C ATOM 1047 NE2 HIS A 73 -2.780 -13.857 -3.591 1.00 10.00 N ATOM 0 H HIS A 73 -1.433 -14.557 1.032 1.00 10.00 H new ATOM 0 HA HIS A 73 -2.478 -16.953 -0.149 1.00 10.00 H new ATOM 0 HB2 HIS A 73 -0.069 -15.187 -0.713 1.00 10.00 H new ATOM 0 HB3 HIS A 73 -0.496 -16.574 -1.695 1.00 10.00 H new ATOM 0 HD1 HIS A 73 -3.329 -14.283 -0.476 1.00 10.00 H new ATOM 0 HD2 HIS A 73 -0.923 -15.029 -3.856 1.00 10.00 H new ATOM 0 HE1 HIS A 73 -4.411 -13.057 -2.446 1.00 10.00 H new ATOM 1055 N GLY A 74 0.297 -17.058 1.629 1.00 10.00 N ATOM 1056 CA GLY A 74 1.286 -17.896 2.296 1.00 10.00 C ATOM 1057 C GLY A 74 2.706 -17.610 1.804 1.00 10.00 C ATOM 1058 O GLY A 74 3.672 -17.858 2.522 1.00 10.00 O ATOM 0 H GLY A 74 0.365 -16.075 1.892 1.00 10.00 H new ATOM 0 HA2 GLY A 74 1.235 -17.730 3.372 1.00 10.00 H new ATOM 0 HA3 GLY A 74 1.047 -18.945 2.124 1.00 10.00 H new ATOM 1062 N ARG A 75 2.856 -17.073 0.590 1.00 10.00 N ATOM 1063 CA ARG A 75 4.157 -16.770 0.016 1.00 10.00 C ATOM 1064 C ARG A 75 4.065 -15.545 -0.887 1.00 10.00 C ATOM 1065 O ARG A 75 2.969 -15.180 -1.310 1.00 10.00 O ATOM 1066 CB ARG A 75 4.728 -18.018 -0.673 1.00 10.00 C ATOM 1067 CG ARG A 75 3.787 -18.722 -1.655 1.00 10.00 C ATOM 1068 CD ARG A 75 4.412 -20.048 -2.116 1.00 10.00 C ATOM 1069 NE ARG A 75 4.585 -20.984 -0.993 1.00 10.00 N ATOM 1070 CZ ARG A 75 5.731 -21.287 -0.357 1.00 10.00 C ATOM 1071 NH1 ARG A 75 6.917 -20.799 -0.749 1.00 10.00 N ATOM 1072 NH2 ARG A 75 5.668 -22.095 0.708 1.00 10.00 N ATOM 0 H ARG A 75 2.072 -16.838 -0.019 1.00 10.00 H new ATOM 0 HA ARG A 75 4.866 -16.506 0.801 1.00 10.00 H new ATOM 0 HB2 ARG A 75 5.634 -17.733 -1.207 1.00 10.00 H new ATOM 0 HB3 ARG A 75 5.022 -18.733 0.096 1.00 10.00 H new ATOM 0 HG2 ARG A 75 2.824 -18.909 -1.179 1.00 10.00 H new ATOM 0 HG3 ARG A 75 3.598 -18.080 -2.515 1.00 10.00 H new ATOM 0 HD2 ARG A 75 3.779 -20.504 -2.877 1.00 10.00 H new ATOM 0 HD3 ARG A 75 5.379 -19.853 -2.581 1.00 10.00 H new ATOM 0 HE ARG A 75 3.743 -21.455 -0.661 1.00 10.00 H new ATOM 0 HH11 ARG A 75 6.971 -20.176 -1.555 1.00 10.00 H new ATOM 0 HH12 ARG A 75 7.765 -21.051 -0.242 1.00 10.00 H new ATOM 0 HH21 ARG A 75 4.768 -22.463 1.017 1.00 10.00 H new ATOM 0 HH22 ARG A 75 6.520 -22.343 1.211 1.00 10.00 H new ATOM 1086 N VAL A 76 5.209 -14.897 -1.135 1.00 10.00 N ATOM 1087 CA VAL A 76 5.322 -13.669 -1.915 1.00 10.00 C ATOM 1088 C VAL A 76 6.386 -13.837 -2.995 1.00 10.00 C ATOM 1089 O VAL A 76 7.385 -14.517 -2.778 1.00 10.00 O ATOM 1090 CB VAL A 76 5.656 -12.483 -0.988 1.00 10.00 C ATOM 1091 CG1 VAL A 76 4.509 -12.241 -0.003 1.00 10.00 C ATOM 1092 CG2 VAL A 76 6.953 -12.681 -0.185 1.00 10.00 C ATOM 0 H VAL A 76 6.108 -15.227 -0.785 1.00 10.00 H new ATOM 0 HA VAL A 76 4.369 -13.461 -2.402 1.00 10.00 H new ATOM 0 HB VAL A 76 5.798 -11.624 -1.643 1.00 10.00 H new ATOM 0 HG11 VAL A 76 4.758 -11.401 0.646 1.00 10.00 H new ATOM 0 HG12 VAL A 76 3.597 -12.015 -0.555 1.00 10.00 H new ATOM 0 HG13 VAL A 76 4.355 -13.134 0.603 1.00 10.00 H new ATOM 0 HG21 VAL A 76 7.127 -11.809 0.446 1.00 10.00 H new ATOM 0 HG22 VAL A 76 6.862 -13.569 0.440 1.00 10.00 H new ATOM 0 HG23 VAL A 76 7.791 -12.805 -0.871 1.00 10.00 H new ATOM 1102 N GLU A 77 6.190 -13.225 -4.164 1.00 10.00 N ATOM 1103 CA GLU A 77 7.162 -13.321 -5.242 1.00 10.00 C ATOM 1104 C GLU A 77 8.428 -12.544 -4.872 1.00 10.00 C ATOM 1105 O GLU A 77 8.328 -11.446 -4.317 1.00 10.00 O ATOM 1106 CB GLU A 77 6.543 -12.814 -6.552 1.00 10.00 C ATOM 1107 CG GLU A 77 7.444 -13.147 -7.753 1.00 10.00 C ATOM 1108 CD GLU A 77 6.874 -12.675 -9.089 1.00 10.00 C ATOM 1109 OE1 GLU A 77 5.752 -12.125 -9.082 1.00 10.00 O ATOM 1110 OE2 GLU A 77 7.579 -12.881 -10.101 1.00 10.00 O ATOM 0 H GLU A 77 5.369 -12.661 -4.383 1.00 10.00 H new ATOM 0 HA GLU A 77 7.444 -14.363 -5.391 1.00 10.00 H new ATOM 0 HB2 GLU A 77 5.561 -13.266 -6.693 1.00 10.00 H new ATOM 0 HB3 GLU A 77 6.392 -11.736 -6.494 1.00 10.00 H new ATOM 0 HG2 GLU A 77 8.422 -12.690 -7.602 1.00 10.00 H new ATOM 0 HG3 GLU A 77 7.599 -14.225 -7.793 1.00 10.00 H new ATOM 1117 N ARG A 78 9.599 -13.108 -5.196 1.00 10.00 N ATOM 1118 CA ARG A 78 10.923 -12.528 -4.980 1.00 10.00 C ATOM 1119 C ARG A 78 11.080 -11.258 -5.826 1.00 10.00 C ATOM 1120 O ARG A 78 11.796 -11.215 -6.824 1.00 10.00 O ATOM 1121 CB ARG A 78 11.987 -13.587 -5.304 1.00 10.00 C ATOM 1122 CG ARG A 78 13.409 -13.127 -4.947 1.00 10.00 C ATOM 1123 CD ARG A 78 14.421 -14.277 -5.072 1.00 10.00 C ATOM 1124 NE ARG A 78 14.241 -15.060 -6.304 1.00 10.00 N ATOM 1125 CZ ARG A 78 14.405 -14.610 -7.556 1.00 10.00 C ATOM 1126 NH1 ARG A 78 14.897 -13.389 -7.781 1.00 10.00 N ATOM 1127 NH2 ARG A 78 14.058 -15.399 -8.576 1.00 10.00 N ATOM 0 H ARG A 78 9.647 -14.026 -5.637 1.00 10.00 H new ATOM 0 HA ARG A 78 11.050 -12.232 -3.939 1.00 10.00 H new ATOM 0 HB2 ARG A 78 11.759 -14.504 -4.760 1.00 10.00 H new ATOM 0 HB3 ARG A 78 11.943 -13.827 -6.366 1.00 10.00 H new ATOM 0 HG2 ARG A 78 13.704 -12.309 -5.604 1.00 10.00 H new ATOM 0 HG3 ARG A 78 13.422 -12.739 -3.929 1.00 10.00 H new ATOM 0 HD2 ARG A 78 15.432 -13.870 -5.049 1.00 10.00 H new ATOM 0 HD3 ARG A 78 14.324 -14.937 -4.210 1.00 10.00 H new ATOM 0 HE ARG A 78 13.966 -16.036 -6.196 1.00 10.00 H new ATOM 0 HH11 ARG A 78 15.152 -12.789 -6.996 1.00 10.00 H new ATOM 0 HH12 ARG A 78 15.018 -13.056 -8.738 1.00 10.00 H new ATOM 0 HH21 ARG A 78 13.675 -16.327 -8.396 1.00 10.00 H new ATOM 0 HH22 ARG A 78 14.176 -15.074 -9.535 1.00 10.00 H new ATOM 1141 N SER A 79 10.372 -10.209 -5.422 1.00 10.00 N ATOM 1142 CA SER A 79 10.308 -8.928 -6.092 1.00 10.00 C ATOM 1143 C SER A 79 11.667 -8.231 -6.052 1.00 10.00 C ATOM 1144 O SER A 79 11.829 -7.223 -5.367 1.00 10.00 O ATOM 1145 CB SER A 79 9.191 -8.109 -5.434 1.00 10.00 C ATOM 1146 OG SER A 79 7.976 -8.845 -5.465 1.00 10.00 O ATOM 0 H SER A 79 9.802 -10.237 -4.577 1.00 10.00 H new ATOM 0 HA SER A 79 10.072 -9.049 -7.149 1.00 10.00 H new ATOM 0 HB2 SER A 79 9.458 -7.873 -4.404 1.00 10.00 H new ATOM 0 HB3 SER A 79 9.066 -7.160 -5.956 1.00 10.00 H new ATOM 0 HG SER A 79 8.074 -9.661 -4.932 1.00 10.00 H new TER 1152 SER A 79 HETATM 1153 ZN ZN A 80 2.206 -14.136 5.265 1.00 10.00 ZN HETATM 1154 ZN ZN A 81 -10.840 -27.719 3.683 1.00 10.00 ZN