USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=19 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= 0.74 K(o=1.5,f=-2.6) USER MOD Set 1.2: A 50 GLN : amide:sc= 0.757 K(o=1.5,f=-2.6) USER MOD Single : A 1 GLY N :NH3+ 167:sc= -0.241 (180deg=-0.565!) USER MOD Single : A 3 THR OG1 : rot 62:sc= 1.1 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 57:sc= 0.295 USER MOD Single : A 18 HIS : no HE2:sc= 0.984 K(o=0.98,f=-3.6!) USER MOD Single : A 20 SER OG : rot -53:sc= 1.56 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 73:sc= 0.39 USER MOD Single : A 27 GLN : amide:sc= -0.356! C(o=-0.36!,f=-3.8!) USER MOD Single : A 29 GLN : amide:sc= 0.165 K(o=0.17,f=-8.6!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0851 USER MOD Single : A 33 THR OG1 : rot 98:sc= 0.341 USER MOD Single : A 35 HIS : no HE2:sc= 0.997 K(o=1,f=-3.7!) USER MOD Single : A 37 SER OG : rot -78:sc= 1.66 USER MOD Single : A 41 GLN : amide:sc= 1.74 K(o=1.7,f=-4!) USER MOD Single : A 42 MET CE :methyl 154:sc= -0.0242 (180deg=-0.992) USER MOD Single : A 44 GLN : amide:sc= 0.281 K(o=0.28,f=-4.5!) USER MOD Single : A 51 GLN : amide:sc= -0.254 K(o=-0.25,f=-3.3!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0101 USER MOD Single : A 55 HIS : no HE2:sc= 0.184 K(o=0.18,f=-2.7!) USER MOD Single : A 57 GLN : amide:sc= 1.2 K(o=1.2,f=-4.8!) USER MOD Single : A 61 THR OG1 : rot -65:sc= 0.863 USER MOD Single : A 64 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00932) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0567) USER MOD Single : A 71 HIS : no HE2:sc= 0.894 K(o=0.89,f=-3.1!) USER MOD Single : A 73 HIS : no HE2:sc= 0.89 K(o=0.89,f=-2.9!) USER MOD Single : A 79 SER OG : rot -59:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.481 -9.614 -5.012 1.00 10.00 N ATOM 2 CA GLY A 1 16.371 -9.001 -4.044 1.00 10.00 C ATOM 3 C GLY A 1 17.808 -9.153 -4.528 1.00 10.00 C ATOM 4 O GLY A 1 18.353 -8.244 -5.148 1.00 10.00 O ATOM 0 H1 GLY A 1 14.533 -9.714 -4.597 1.00 10.00 H new ATOM 0 H2 GLY A 1 15.426 -9.016 -5.861 1.00 10.00 H new ATOM 0 H3 GLY A 1 15.845 -10.553 -5.273 1.00 10.00 H new ATOM 0 HA2 GLY A 1 16.125 -7.946 -3.921 1.00 10.00 H new ATOM 0 HA3 GLY A 1 16.250 -9.473 -3.069 1.00 10.00 H new ATOM 8 N VAL A 2 18.413 -10.321 -4.284 1.00 10.00 N ATOM 9 CA VAL A 2 19.747 -10.606 -4.801 1.00 10.00 C ATOM 10 C VAL A 2 19.571 -10.844 -6.302 1.00 10.00 C ATOM 11 O VAL A 2 20.234 -10.226 -7.133 1.00 10.00 O ATOM 12 CB VAL A 2 20.378 -11.810 -4.080 1.00 10.00 C ATOM 13 CG1 VAL A 2 21.782 -12.097 -4.626 1.00 10.00 C ATOM 14 CG2 VAL A 2 20.477 -11.547 -2.571 1.00 10.00 C ATOM 0 H VAL A 2 18.000 -11.076 -3.736 1.00 10.00 H new ATOM 0 HA VAL A 2 20.436 -9.780 -4.625 1.00 10.00 H new ATOM 0 HB VAL A 2 19.736 -12.673 -4.258 1.00 10.00 H new ATOM 0 HG11 VAL A 2 22.209 -12.952 -4.102 1.00 10.00 H new ATOM 0 HG12 VAL A 2 21.720 -12.319 -5.691 1.00 10.00 H new ATOM 0 HG13 VAL A 2 22.417 -11.224 -4.474 1.00 10.00 H new ATOM 0 HG21 VAL A 2 20.926 -12.410 -2.080 1.00 10.00 H new ATOM 0 HG22 VAL A 2 21.096 -10.667 -2.395 1.00 10.00 H new ATOM 0 HG23 VAL A 2 19.480 -11.376 -2.165 1.00 10.00 H new ATOM 24 N THR A 3 18.612 -11.705 -6.648 1.00 10.00 N ATOM 25 CA THR A 3 18.214 -11.971 -8.015 1.00 10.00 C ATOM 26 C THR A 3 17.322 -10.806 -8.448 1.00 10.00 C ATOM 27 O THR A 3 16.116 -10.986 -8.610 1.00 10.00 O ATOM 28 CB THR A 3 17.455 -13.305 -8.033 1.00 10.00 C ATOM 29 OG1 THR A 3 16.483 -13.284 -7.003 1.00 10.00 O ATOM 30 CG2 THR A 3 18.408 -14.483 -7.808 1.00 10.00 C ATOM 0 H THR A 3 18.083 -12.245 -5.963 1.00 10.00 H new ATOM 0 HA THR A 3 19.059 -12.051 -8.698 1.00 10.00 H new ATOM 0 HB THR A 3 16.982 -13.431 -9.007 1.00 10.00 H new ATOM 0 HG1 THR A 3 15.838 -12.567 -7.176 1.00 10.00 H new ATOM 0 HG21 THR A 3 17.844 -15.416 -7.825 1.00 10.00 H new ATOM 0 HG22 THR A 3 19.160 -14.499 -8.597 1.00 10.00 H new ATOM 0 HG23 THR A 3 18.899 -14.374 -6.841 1.00 10.00 H new ATOM 38 N LYS A 4 17.913 -9.616 -8.588 1.00 10.00 N ATOM 39 CA LYS A 4 17.225 -8.377 -8.945 1.00 10.00 C ATOM 40 C LYS A 4 16.330 -8.556 -10.172 1.00 10.00 C ATOM 41 O LYS A 4 15.248 -7.978 -10.254 1.00 10.00 O ATOM 42 CB LYS A 4 18.258 -7.274 -9.208 1.00 10.00 C ATOM 43 CG LYS A 4 19.034 -6.904 -7.938 1.00 10.00 C ATOM 44 CD LYS A 4 20.044 -5.789 -8.226 1.00 10.00 C ATOM 45 CE LYS A 4 20.819 -5.448 -6.950 1.00 10.00 C ATOM 46 NZ LYS A 4 21.806 -4.380 -7.190 1.00 10.00 N ATOM 0 H LYS A 4 18.915 -9.487 -8.451 1.00 10.00 H new ATOM 0 HA LYS A 4 16.585 -8.095 -8.109 1.00 10.00 H new ATOM 0 HB2 LYS A 4 18.956 -7.606 -9.976 1.00 10.00 H new ATOM 0 HB3 LYS A 4 17.754 -6.389 -9.596 1.00 10.00 H new ATOM 0 HG2 LYS A 4 18.339 -6.581 -7.163 1.00 10.00 H new ATOM 0 HG3 LYS A 4 19.554 -7.782 -7.555 1.00 10.00 H new ATOM 0 HD2 LYS A 4 20.734 -6.104 -9.008 1.00 10.00 H new ATOM 0 HD3 LYS A 4 19.527 -4.904 -8.596 1.00 10.00 H new ATOM 0 HE2 LYS A 4 20.123 -5.134 -6.172 1.00 10.00 H new ATOM 0 HE3 LYS A 4 21.327 -6.339 -6.582 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 22.314 -4.172 -6.307 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 22.484 -4.690 -7.915 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 21.317 -3.523 -7.518 1.00 10.00 H new ATOM 60 N GLU A 5 16.794 -9.353 -11.134 1.00 10.00 N ATOM 61 CA GLU A 5 16.104 -9.645 -12.376 1.00 10.00 C ATOM 62 C GLU A 5 14.920 -10.586 -12.118 1.00 10.00 C ATOM 63 O GLU A 5 14.899 -11.711 -12.615 1.00 10.00 O ATOM 64 CB GLU A 5 17.105 -10.241 -13.382 1.00 10.00 C ATOM 65 CG GLU A 5 18.383 -9.395 -13.543 1.00 10.00 C ATOM 66 CD GLU A 5 19.545 -9.822 -12.640 1.00 10.00 C ATOM 67 OE1 GLU A 5 19.274 -10.393 -11.559 1.00 10.00 O ATOM 68 OE2 GLU A 5 20.696 -9.560 -13.049 1.00 10.00 O ATOM 0 H GLU A 5 17.694 -9.827 -11.061 1.00 10.00 H new ATOM 0 HA GLU A 5 15.697 -8.728 -12.802 1.00 10.00 H new ATOM 0 HB2 GLU A 5 17.380 -11.245 -13.059 1.00 10.00 H new ATOM 0 HB3 GLU A 5 16.619 -10.341 -14.352 1.00 10.00 H new ATOM 0 HG2 GLU A 5 18.709 -9.446 -14.582 1.00 10.00 H new ATOM 0 HG3 GLU A 5 18.142 -8.352 -13.335 1.00 10.00 H new ATOM 75 N ILE A 6 13.928 -10.131 -11.348 1.00 10.00 N ATOM 76 CA ILE A 6 12.740 -10.900 -10.987 1.00 10.00 C ATOM 77 C ILE A 6 11.767 -11.043 -12.167 1.00 10.00 C ATOM 78 O ILE A 6 10.582 -10.735 -12.049 1.00 10.00 O ATOM 79 CB ILE A 6 12.067 -10.289 -9.738 1.00 10.00 C ATOM 80 CG1 ILE A 6 11.706 -8.800 -9.921 1.00 10.00 C ATOM 81 CG2 ILE A 6 12.965 -10.459 -8.506 1.00 10.00 C ATOM 82 CD1 ILE A 6 10.634 -8.350 -8.925 1.00 10.00 C ATOM 0 H ILE A 6 13.932 -9.192 -10.949 1.00 10.00 H new ATOM 0 HA ILE A 6 13.052 -11.913 -10.734 1.00 10.00 H new ATOM 0 HB ILE A 6 11.134 -10.833 -9.591 1.00 10.00 H new ATOM 0 HG12 ILE A 6 12.600 -8.190 -9.793 1.00 10.00 H new ATOM 0 HG13 ILE A 6 11.350 -8.634 -10.938 1.00 10.00 H new ATOM 0 HG21 ILE A 6 12.475 -10.023 -7.636 1.00 10.00 H new ATOM 0 HG22 ILE A 6 13.143 -11.520 -8.329 1.00 10.00 H new ATOM 0 HG23 ILE A 6 13.916 -9.955 -8.677 1.00 10.00 H new ATOM 0 HD11 ILE A 6 10.407 -7.296 -9.086 1.00 10.00 H new ATOM 0 HD12 ILE A 6 9.730 -8.942 -9.071 1.00 10.00 H new ATOM 0 HD13 ILE A 6 11.000 -8.491 -7.908 1.00 10.00 H new ATOM 94 N ARG A 7 12.247 -11.538 -13.314 1.00 10.00 N ATOM 95 CA ARG A 7 11.446 -11.779 -14.514 1.00 10.00 C ATOM 96 C ARG A 7 11.065 -13.262 -14.562 1.00 10.00 C ATOM 97 O ARG A 7 11.011 -13.873 -15.625 1.00 10.00 O ATOM 98 CB ARG A 7 12.226 -11.340 -15.767 1.00 10.00 C ATOM 99 CG ARG A 7 12.742 -9.888 -15.756 1.00 10.00 C ATOM 100 CD ARG A 7 11.635 -8.822 -15.743 1.00 10.00 C ATOM 101 NE ARG A 7 10.961 -8.784 -14.443 1.00 10.00 N ATOM 102 CZ ARG A 7 9.757 -8.260 -14.188 1.00 10.00 C ATOM 103 NH1 ARG A 7 9.170 -7.441 -15.067 1.00 10.00 N ATOM 104 NH2 ARG A 7 9.153 -8.586 -13.042 1.00 10.00 N ATOM 0 H ARG A 7 13.229 -11.788 -13.433 1.00 10.00 H new ATOM 0 HA ARG A 7 10.530 -11.189 -14.486 1.00 10.00 H new ATOM 0 HB2 ARG A 7 13.078 -12.008 -15.895 1.00 10.00 H new ATOM 0 HB3 ARG A 7 11.583 -11.472 -16.638 1.00 10.00 H new ATOM 0 HG2 ARG A 7 13.376 -9.747 -14.881 1.00 10.00 H new ATOM 0 HG3 ARG A 7 13.370 -9.732 -16.633 1.00 10.00 H new ATOM 0 HD2 ARG A 7 12.063 -7.844 -15.964 1.00 10.00 H new ATOM 0 HD3 ARG A 7 10.909 -9.036 -16.527 1.00 10.00 H new ATOM 0 HE ARG A 7 11.459 -9.198 -13.655 1.00 10.00 H new ATOM 0 HH11 ARG A 7 9.641 -7.210 -15.942 1.00 10.00 H new ATOM 0 HH12 ARG A 7 8.252 -7.047 -14.862 1.00 10.00 H new ATOM 0 HH21 ARG A 7 9.610 -9.220 -12.387 1.00 10.00 H new ATOM 0 HH22 ARG A 7 8.234 -8.201 -12.822 1.00 10.00 H new ATOM 118 N ILE A 8 10.803 -13.823 -13.382 1.00 10.00 N ATOM 119 CA ILE A 8 10.431 -15.197 -13.094 1.00 10.00 C ATOM 120 C ILE A 8 9.711 -15.127 -11.741 1.00 10.00 C ATOM 121 O ILE A 8 9.959 -14.171 -10.995 1.00 10.00 O ATOM 122 CB ILE A 8 11.679 -16.108 -13.033 1.00 10.00 C ATOM 123 CG1 ILE A 8 12.866 -15.412 -12.344 1.00 10.00 C ATOM 124 CG2 ILE A 8 12.081 -16.602 -14.430 1.00 10.00 C ATOM 125 CD1 ILE A 8 13.998 -16.381 -11.990 1.00 10.00 C ATOM 0 H ILE A 8 10.852 -13.270 -12.527 1.00 10.00 H new ATOM 0 HA ILE A 8 9.795 -15.628 -13.868 1.00 10.00 H new ATOM 0 HB ILE A 8 11.407 -16.974 -12.429 1.00 10.00 H new ATOM 0 HG12 ILE A 8 13.253 -14.631 -12.999 1.00 10.00 H new ATOM 0 HG13 ILE A 8 12.516 -14.922 -11.436 1.00 10.00 H new ATOM 0 HG21 ILE A 8 12.962 -17.240 -14.351 1.00 10.00 H new ATOM 0 HG22 ILE A 8 11.259 -17.170 -14.865 1.00 10.00 H new ATOM 0 HG23 ILE A 8 12.308 -15.747 -15.067 1.00 10.00 H new ATOM 0 HD11 ILE A 8 14.807 -15.834 -11.507 1.00 10.00 H new ATOM 0 HD12 ILE A 8 13.622 -17.147 -11.312 1.00 10.00 H new ATOM 0 HD13 ILE A 8 14.371 -16.853 -12.899 1.00 10.00 H new ATOM 137 N PRO A 9 8.828 -16.088 -11.414 1.00 10.00 N ATOM 138 CA PRO A 9 8.073 -16.111 -10.166 1.00 10.00 C ATOM 139 C PRO A 9 9.002 -16.321 -8.963 1.00 10.00 C ATOM 140 O PRO A 9 9.061 -17.397 -8.371 1.00 10.00 O ATOM 141 CB PRO A 9 7.032 -17.223 -10.335 1.00 10.00 C ATOM 142 CG PRO A 9 7.715 -18.177 -11.310 1.00 10.00 C ATOM 143 CD PRO A 9 8.466 -17.229 -12.241 1.00 10.00 C ATOM 0 HA PRO A 9 7.576 -15.163 -9.962 1.00 10.00 H new ATOM 0 HB2 PRO A 9 6.802 -17.709 -9.387 1.00 10.00 H new ATOM 0 HB3 PRO A 9 6.092 -16.841 -10.734 1.00 10.00 H new ATOM 0 HG2 PRO A 9 8.391 -18.862 -10.799 1.00 10.00 H new ATOM 0 HG3 PRO A 9 6.992 -18.788 -11.852 1.00 10.00 H new ATOM 0 HD2 PRO A 9 9.351 -17.708 -12.660 1.00 10.00 H new ATOM 0 HD3 PRO A 9 7.841 -16.924 -13.080 1.00 10.00 H new ATOM 151 N THR A 10 9.731 -15.268 -8.602 1.00 10.00 N ATOM 152 CA THR A 10 10.691 -15.249 -7.513 1.00 10.00 C ATOM 153 C THR A 10 9.923 -15.124 -6.194 1.00 10.00 C ATOM 154 O THR A 10 9.972 -14.084 -5.533 1.00 10.00 O ATOM 155 CB THR A 10 11.696 -14.106 -7.750 1.00 10.00 C ATOM 156 OG1 THR A 10 12.084 -14.046 -9.113 1.00 10.00 O ATOM 157 CG2 THR A 10 12.968 -14.330 -6.930 1.00 10.00 C ATOM 0 H THR A 10 9.663 -14.371 -9.083 1.00 10.00 H new ATOM 0 HA THR A 10 11.271 -16.171 -7.465 1.00 10.00 H new ATOM 0 HB THR A 10 11.201 -13.181 -7.454 1.00 10.00 H new ATOM 0 HG1 THR A 10 11.289 -13.937 -9.675 1.00 10.00 H new ATOM 0 HG21 THR A 10 13.666 -13.512 -7.111 1.00 10.00 H new ATOM 0 HG22 THR A 10 12.716 -14.365 -5.870 1.00 10.00 H new ATOM 0 HG23 THR A 10 13.429 -15.273 -7.224 1.00 10.00 H new ATOM 165 N LEU A 11 9.172 -16.177 -5.856 1.00 10.00 N ATOM 166 CA LEU A 11 8.323 -16.251 -4.676 1.00 10.00 C ATOM 167 C LEU A 11 8.992 -17.073 -3.573 1.00 10.00 C ATOM 168 O LEU A 11 9.628 -18.086 -3.854 1.00 10.00 O ATOM 169 CB LEU A 11 6.965 -16.873 -5.036 1.00 10.00 C ATOM 170 CG LEU A 11 6.237 -16.198 -6.212 1.00 10.00 C ATOM 171 CD1 LEU A 11 4.885 -16.884 -6.431 1.00 10.00 C ATOM 172 CD2 LEU A 11 6.016 -14.699 -5.979 1.00 10.00 C ATOM 0 H LEU A 11 9.142 -17.027 -6.419 1.00 10.00 H new ATOM 0 HA LEU A 11 8.167 -15.237 -4.308 1.00 10.00 H new ATOM 0 HB2 LEU A 11 7.116 -17.925 -5.276 1.00 10.00 H new ATOM 0 HB3 LEU A 11 6.320 -16.836 -4.158 1.00 10.00 H new ATOM 0 HG LEU A 11 6.869 -16.302 -7.094 1.00 10.00 H new ATOM 0 HD11 LEU A 11 4.366 -16.408 -7.263 1.00 10.00 H new ATOM 0 HD12 LEU A 11 5.044 -17.938 -6.657 1.00 10.00 H new ATOM 0 HD13 LEU A 11 4.281 -16.794 -5.528 1.00 10.00 H new ATOM 0 HD21 LEU A 11 5.499 -14.270 -6.837 1.00 10.00 H new ATOM 0 HD22 LEU A 11 5.413 -14.555 -5.083 1.00 10.00 H new ATOM 0 HD23 LEU A 11 6.979 -14.205 -5.851 1.00 10.00 H new ATOM 184 N GLU A 12 8.820 -16.649 -2.317 1.00 10.00 N ATOM 185 CA GLU A 12 9.320 -17.310 -1.121 1.00 10.00 C ATOM 186 C GLU A 12 8.163 -17.449 -0.132 1.00 10.00 C ATOM 187 O GLU A 12 7.200 -16.682 -0.186 1.00 10.00 O ATOM 188 CB GLU A 12 10.454 -16.500 -0.474 1.00 10.00 C ATOM 189 CG GLU A 12 11.691 -16.352 -1.375 1.00 10.00 C ATOM 190 CD GLU A 12 11.494 -15.346 -2.505 1.00 10.00 C ATOM 191 OE1 GLU A 12 10.933 -14.267 -2.215 1.00 10.00 O ATOM 192 OE2 GLU A 12 11.916 -15.674 -3.635 1.00 10.00 O ATOM 0 H GLU A 12 8.304 -15.796 -2.103 1.00 10.00 H new ATOM 0 HA GLU A 12 9.718 -18.288 -1.391 1.00 10.00 H new ATOM 0 HB2 GLU A 12 10.081 -15.509 -0.216 1.00 10.00 H new ATOM 0 HB3 GLU A 12 10.748 -16.982 0.458 1.00 10.00 H new ATOM 0 HG2 GLU A 12 12.541 -16.043 -0.766 1.00 10.00 H new ATOM 0 HG3 GLU A 12 11.940 -17.324 -1.801 1.00 10.00 H new ATOM 199 N GLU A 13 8.266 -18.421 0.779 1.00 10.00 N ATOM 200 CA GLU A 13 7.260 -18.665 1.800 1.00 10.00 C ATOM 201 C GLU A 13 7.121 -17.431 2.696 1.00 10.00 C ATOM 202 O GLU A 13 8.122 -16.849 3.117 1.00 10.00 O ATOM 203 CB GLU A 13 7.671 -19.885 2.638 1.00 10.00 C ATOM 204 CG GLU A 13 6.556 -20.302 3.608 1.00 10.00 C ATOM 205 CD GLU A 13 7.024 -21.379 4.581 1.00 10.00 C ATOM 206 OE1 GLU A 13 7.306 -22.496 4.098 1.00 10.00 O ATOM 207 OE2 GLU A 13 7.096 -21.057 5.788 1.00 10.00 O ATOM 0 H GLU A 13 9.058 -19.062 0.823 1.00 10.00 H new ATOM 0 HA GLU A 13 6.299 -18.864 1.326 1.00 10.00 H new ATOM 0 HB2 GLU A 13 7.910 -20.718 1.977 1.00 10.00 H new ATOM 0 HB3 GLU A 13 8.576 -19.654 3.200 1.00 10.00 H new ATOM 0 HG2 GLU A 13 6.216 -19.430 4.167 1.00 10.00 H new ATOM 0 HG3 GLU A 13 5.701 -20.671 3.042 1.00 10.00 H new ATOM 214 N CYS A 14 5.886 -17.050 3.029 1.00 10.00 N ATOM 215 CA CYS A 14 5.653 -15.933 3.925 1.00 10.00 C ATOM 216 C CYS A 14 5.930 -16.380 5.364 1.00 10.00 C ATOM 217 O CYS A 14 5.015 -16.717 6.118 1.00 10.00 O ATOM 218 CB CYS A 14 4.236 -15.391 3.760 1.00 10.00 C ATOM 219 SG CYS A 14 3.990 -13.804 4.604 1.00 10.00 S ATOM 0 H CYS A 14 5.038 -17.503 2.688 1.00 10.00 H new ATOM 0 HA CYS A 14 6.332 -15.116 3.678 1.00 10.00 H new ATOM 0 HB2 CYS A 14 4.019 -15.271 2.699 1.00 10.00 H new ATOM 0 HB3 CYS A 14 3.525 -16.119 4.150 1.00 10.00 H new ATOM 224 N ASP A 15 7.214 -16.378 5.732 1.00 10.00 N ATOM 225 CA ASP A 15 7.716 -16.742 7.054 1.00 10.00 C ATOM 226 C ASP A 15 6.898 -16.080 8.167 1.00 10.00 C ATOM 227 O ASP A 15 6.620 -16.705 9.186 1.00 10.00 O ATOM 228 CB ASP A 15 9.205 -16.388 7.173 1.00 10.00 C ATOM 229 CG ASP A 15 9.454 -14.882 7.249 1.00 10.00 C ATOM 230 OD1 ASP A 15 8.981 -14.180 6.328 1.00 10.00 O ATOM 231 OD2 ASP A 15 10.087 -14.458 8.238 1.00 10.00 O ATOM 0 H ASP A 15 7.960 -16.112 5.089 1.00 10.00 H new ATOM 0 HA ASP A 15 7.607 -17.820 7.174 1.00 10.00 H new ATOM 0 HB2 ASP A 15 9.617 -16.865 8.063 1.00 10.00 H new ATOM 0 HB3 ASP A 15 9.740 -16.797 6.316 1.00 10.00 H new ATOM 236 N VAL A 16 6.488 -14.827 7.945 1.00 10.00 N ATOM 237 CA VAL A 16 5.664 -14.035 8.852 1.00 10.00 C ATOM 238 C VAL A 16 4.444 -14.824 9.349 1.00 10.00 C ATOM 239 O VAL A 16 4.128 -14.773 10.535 1.00 10.00 O ATOM 240 CB VAL A 16 5.256 -12.733 8.139 1.00 10.00 C ATOM 241 CG1 VAL A 16 4.297 -11.903 8.994 1.00 10.00 C ATOM 242 CG2 VAL A 16 6.483 -11.873 7.807 1.00 10.00 C ATOM 0 H VAL A 16 6.733 -14.321 7.094 1.00 10.00 H new ATOM 0 HA VAL A 16 6.243 -13.788 9.742 1.00 10.00 H new ATOM 0 HB VAL A 16 4.755 -13.027 7.217 1.00 10.00 H new ATOM 0 HG11 VAL A 16 4.030 -10.991 8.460 1.00 10.00 H new ATOM 0 HG12 VAL A 16 3.396 -12.482 9.197 1.00 10.00 H new ATOM 0 HG13 VAL A 16 4.781 -11.643 9.936 1.00 10.00 H new ATOM 0 HG21 VAL A 16 6.163 -10.961 7.304 1.00 10.00 H new ATOM 0 HG22 VAL A 16 7.007 -11.615 8.728 1.00 10.00 H new ATOM 0 HG23 VAL A 16 7.153 -12.432 7.153 1.00 10.00 H new ATOM 252 N CYS A 17 3.776 -15.566 8.457 1.00 10.00 N ATOM 253 CA CYS A 17 2.626 -16.404 8.802 1.00 10.00 C ATOM 254 C CYS A 17 2.995 -17.885 8.692 1.00 10.00 C ATOM 255 O CYS A 17 2.121 -18.737 8.531 1.00 10.00 O ATOM 256 CB CYS A 17 1.452 -16.067 7.889 1.00 10.00 C ATOM 257 SG CYS A 17 1.704 -16.310 6.126 1.00 10.00 S ATOM 0 H CYS A 17 4.022 -15.600 7.468 1.00 10.00 H new ATOM 0 HA CYS A 17 2.334 -16.205 9.833 1.00 10.00 H new ATOM 0 HB2 CYS A 17 0.598 -16.670 8.197 1.00 10.00 H new ATOM 0 HB3 CYS A 17 1.182 -15.024 8.053 1.00 10.00 H new ATOM 262 N HIS A 18 4.293 -18.195 8.731 1.00 10.00 N ATOM 263 CA HIS A 18 4.844 -19.535 8.601 1.00 10.00 C ATOM 264 C HIS A 18 4.255 -20.234 7.372 1.00 10.00 C ATOM 265 O HIS A 18 3.951 -21.424 7.400 1.00 10.00 O ATOM 266 CB HIS A 18 4.617 -20.324 9.899 1.00 10.00 C ATOM 267 CG HIS A 18 5.136 -19.654 11.152 1.00 10.00 C ATOM 268 ND1 HIS A 18 5.932 -18.531 11.225 1.00 10.00 N ATOM 269 CD2 HIS A 18 4.870 -20.050 12.436 1.00 10.00 C ATOM 270 CE1 HIS A 18 6.133 -18.259 12.525 1.00 10.00 C ATOM 271 NE2 HIS A 18 5.509 -19.159 13.302 1.00 10.00 N ATOM 0 H HIS A 18 5.014 -17.485 8.860 1.00 10.00 H new ATOM 0 HA HIS A 18 5.921 -19.477 8.445 1.00 10.00 H new ATOM 0 HB2 HIS A 18 3.548 -20.502 10.016 1.00 10.00 H new ATOM 0 HB3 HIS A 18 5.094 -21.299 9.802 1.00 10.00 H new ATOM 0 HD1 HIS A 18 6.302 -18.002 10.435 1.00 10.00 H new ATOM 0 HD2 HIS A 18 4.272 -20.901 12.728 1.00 10.00 H new ATOM 0 HE1 HIS A 18 6.717 -17.429 12.895 1.00 10.00 H new ATOM 279 N GLY A 19 4.060 -19.472 6.290 1.00 10.00 N ATOM 280 CA GLY A 19 3.501 -19.983 5.050 1.00 10.00 C ATOM 281 C GLY A 19 2.029 -20.403 5.117 1.00 10.00 C ATOM 282 O GLY A 19 1.499 -20.846 4.103 1.00 10.00 O ATOM 0 H GLY A 19 4.289 -18.479 6.258 1.00 10.00 H new ATOM 0 HA2 GLY A 19 3.609 -19.219 4.280 1.00 10.00 H new ATOM 0 HA3 GLY A 19 4.092 -20.842 4.731 1.00 10.00 H new ATOM 286 N SER A 20 1.346 -20.277 6.261 1.00 10.00 N ATOM 287 CA SER A 20 -0.054 -20.682 6.345 1.00 10.00 C ATOM 288 C SER A 20 -0.930 -19.667 5.617 1.00 10.00 C ATOM 289 O SER A 20 -1.702 -19.999 4.723 1.00 10.00 O ATOM 290 CB SER A 20 -0.492 -20.821 7.813 1.00 10.00 C ATOM 291 OG SER A 20 -0.441 -19.584 8.507 1.00 10.00 O ATOM 0 H SER A 20 1.736 -19.903 7.126 1.00 10.00 H new ATOM 0 HA SER A 20 -0.168 -21.655 5.866 1.00 10.00 H new ATOM 0 HB2 SER A 20 -1.507 -21.216 7.852 1.00 10.00 H new ATOM 0 HB3 SER A 20 0.151 -21.544 8.315 1.00 10.00 H new ATOM 0 HG SER A 20 0.450 -19.189 8.406 1.00 10.00 H new ATOM 297 N GLY A 21 -0.821 -18.424 6.078 1.00 10.00 N ATOM 298 CA GLY A 21 -1.608 -17.280 5.663 1.00 10.00 C ATOM 299 C GLY A 21 -2.154 -16.551 6.894 1.00 10.00 C ATOM 300 O GLY A 21 -2.665 -15.442 6.763 1.00 10.00 O ATOM 0 H GLY A 21 -0.137 -18.180 6.795 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -0.995 -16.602 5.070 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -2.431 -17.605 5.027 1.00 10.00 H new ATOM 304 N ALA A 22 -2.060 -17.160 8.085 1.00 10.00 N ATOM 305 CA ALA A 22 -2.567 -16.578 9.319 1.00 10.00 C ATOM 306 C ALA A 22 -1.800 -15.315 9.720 1.00 10.00 C ATOM 307 O ALA A 22 -0.574 -15.317 9.774 1.00 10.00 O ATOM 308 CB ALA A 22 -2.493 -17.622 10.432 1.00 10.00 C ATOM 0 H ALA A 22 -1.626 -18.075 8.211 1.00 10.00 H new ATOM 0 HA ALA A 22 -3.603 -16.280 9.155 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -2.871 -17.192 11.360 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -3.097 -18.487 10.160 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -1.457 -17.932 10.572 1.00 10.00 H new ATOM 314 N LYS A 23 -2.531 -14.240 10.006 1.00 10.00 N ATOM 315 CA LYS A 23 -2.032 -12.943 10.453 1.00 10.00 C ATOM 316 C LYS A 23 -0.910 -13.093 11.500 1.00 10.00 C ATOM 317 O LYS A 23 -0.959 -14.020 12.308 1.00 10.00 O ATOM 318 CB LYS A 23 -3.253 -12.182 10.995 1.00 10.00 C ATOM 319 CG LYS A 23 -3.000 -10.820 11.654 1.00 10.00 C ATOM 320 CD LYS A 23 -4.278 -10.349 12.355 1.00 10.00 C ATOM 321 CE LYS A 23 -4.050 -8.991 13.028 1.00 10.00 C ATOM 322 NZ LYS A 23 -5.260 -8.535 13.734 1.00 10.00 N ATOM 0 H LYS A 23 -3.548 -14.253 9.927 1.00 10.00 H new ATOM 0 HA LYS A 23 -1.571 -12.389 9.635 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -3.950 -12.033 10.171 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -3.752 -12.821 11.723 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -2.185 -10.898 12.373 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -2.694 -10.091 10.903 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -5.090 -10.272 11.631 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -4.584 -11.084 13.100 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -3.222 -9.066 13.732 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -3.764 -8.254 12.278 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -5.075 -7.614 14.180 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -6.043 -8.441 13.056 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -5.517 -9.228 14.466 1.00 10.00 H new ATOM 336 N PRO A 24 0.096 -12.194 11.513 1.00 10.00 N ATOM 337 CA PRO A 24 1.186 -12.214 12.479 1.00 10.00 C ATOM 338 C PRO A 24 0.730 -12.587 13.894 1.00 10.00 C ATOM 339 O PRO A 24 -0.268 -12.061 14.388 1.00 10.00 O ATOM 340 CB PRO A 24 1.772 -10.802 12.453 1.00 10.00 C ATOM 341 CG PRO A 24 1.572 -10.380 11.000 1.00 10.00 C ATOM 342 CD PRO A 24 0.266 -11.069 10.601 1.00 10.00 C ATOM 0 HA PRO A 24 1.916 -12.978 12.211 1.00 10.00 H new ATOM 0 HB2 PRO A 24 1.253 -10.136 13.143 1.00 10.00 H new ATOM 0 HB3 PRO A 24 2.825 -10.796 12.735 1.00 10.00 H new ATOM 0 HG2 PRO A 24 1.499 -9.297 10.904 1.00 10.00 H new ATOM 0 HG3 PRO A 24 2.403 -10.701 10.371 1.00 10.00 H new ATOM 0 HD2 PRO A 24 -0.575 -10.379 10.675 1.00 10.00 H new ATOM 0 HD3 PRO A 24 0.308 -11.411 9.567 1.00 10.00 H new ATOM 350 N GLY A 25 1.448 -13.517 14.528 1.00 10.00 N ATOM 351 CA GLY A 25 1.160 -13.989 15.876 1.00 10.00 C ATOM 352 C GLY A 25 -0.240 -14.588 16.049 1.00 10.00 C ATOM 353 O GLY A 25 -0.682 -14.758 17.183 1.00 10.00 O ATOM 0 H GLY A 25 2.260 -13.969 14.107 1.00 10.00 H new ATOM 0 HA2 GLY A 25 1.900 -14.740 16.151 1.00 10.00 H new ATOM 0 HA3 GLY A 25 1.275 -13.158 16.572 1.00 10.00 H new ATOM 357 N THR A 26 -0.932 -14.913 14.954 1.00 10.00 N ATOM 358 CA THR A 26 -2.266 -15.488 14.957 1.00 10.00 C ATOM 359 C THR A 26 -2.185 -16.858 14.274 1.00 10.00 C ATOM 360 O THR A 26 -1.260 -17.116 13.505 1.00 10.00 O ATOM 361 CB THR A 26 -3.231 -14.523 14.244 1.00 10.00 C ATOM 362 OG1 THR A 26 -2.941 -13.176 14.585 1.00 10.00 O ATOM 363 CG2 THR A 26 -4.693 -14.793 14.610 1.00 10.00 C ATOM 0 H THR A 26 -0.561 -14.776 14.014 1.00 10.00 H new ATOM 0 HA THR A 26 -2.648 -15.631 15.968 1.00 10.00 H new ATOM 0 HB THR A 26 -3.091 -14.688 13.176 1.00 10.00 H new ATOM 0 HG1 THR A 26 -2.115 -12.896 14.138 1.00 10.00 H new ATOM 0 HG21 THR A 26 -5.336 -14.088 14.083 1.00 10.00 H new ATOM 0 HG22 THR A 26 -4.958 -15.811 14.323 1.00 10.00 H new ATOM 0 HG23 THR A 26 -4.827 -14.673 15.685 1.00 10.00 H new ATOM 371 N GLN A 27 -3.144 -17.739 14.563 1.00 10.00 N ATOM 372 CA GLN A 27 -3.232 -19.090 14.022 1.00 10.00 C ATOM 373 C GLN A 27 -4.433 -19.171 13.074 1.00 10.00 C ATOM 374 O GLN A 27 -5.388 -18.417 13.262 1.00 10.00 O ATOM 375 CB GLN A 27 -3.331 -20.112 15.174 1.00 10.00 C ATOM 376 CG GLN A 27 -4.553 -19.959 16.095 1.00 10.00 C ATOM 377 CD GLN A 27 -4.431 -18.769 17.042 1.00 10.00 C ATOM 378 OE1 GLN A 27 -4.906 -17.678 16.738 1.00 10.00 O ATOM 379 NE2 GLN A 27 -3.769 -18.949 18.181 1.00 10.00 N ATOM 0 H GLN A 27 -3.907 -17.520 15.204 1.00 10.00 H new ATOM 0 HA GLN A 27 -2.334 -19.331 13.453 1.00 10.00 H new ATOM 0 HB2 GLN A 27 -3.344 -21.114 14.746 1.00 10.00 H new ATOM 0 HB3 GLN A 27 -2.429 -20.036 15.781 1.00 10.00 H new ATOM 0 HG2 GLN A 27 -5.450 -19.843 15.486 1.00 10.00 H new ATOM 0 HG3 GLN A 27 -4.680 -20.871 16.678 1.00 10.00 H new ATOM 0 HE21 GLN A 27 -3.385 -19.866 18.408 1.00 10.00 H new ATOM 0 HE22 GLN A 27 -3.645 -18.170 18.828 1.00 10.00 H new ATOM 388 N PRO A 28 -4.415 -20.064 12.069 1.00 10.00 N ATOM 389 CA PRO A 28 -5.536 -20.230 11.164 1.00 10.00 C ATOM 390 C PRO A 28 -6.625 -21.050 11.864 1.00 10.00 C ATOM 391 O PRO A 28 -6.481 -21.418 13.030 1.00 10.00 O ATOM 392 CB PRO A 28 -4.955 -20.967 9.961 1.00 10.00 C ATOM 393 CG PRO A 28 -3.906 -21.872 10.600 1.00 10.00 C ATOM 394 CD PRO A 28 -3.354 -21.006 11.734 1.00 10.00 C ATOM 0 HA PRO A 28 -5.997 -19.290 10.860 1.00 10.00 H new ATOM 0 HB2 PRO A 28 -5.716 -21.540 9.430 1.00 10.00 H new ATOM 0 HB3 PRO A 28 -4.512 -20.280 9.240 1.00 10.00 H new ATOM 0 HG2 PRO A 28 -4.344 -22.797 10.975 1.00 10.00 H new ATOM 0 HG3 PRO A 28 -3.128 -22.153 9.890 1.00 10.00 H new ATOM 0 HD2 PRO A 28 -3.086 -21.616 12.597 1.00 10.00 H new ATOM 0 HD3 PRO A 28 -2.451 -20.482 11.421 1.00 10.00 H new ATOM 402 N GLN A 29 -7.720 -21.337 11.155 1.00 10.00 N ATOM 403 CA GLN A 29 -8.853 -22.075 11.693 1.00 10.00 C ATOM 404 C GLN A 29 -9.016 -23.372 10.904 1.00 10.00 C ATOM 405 O GLN A 29 -9.100 -23.327 9.681 1.00 10.00 O ATOM 406 CB GLN A 29 -10.116 -21.205 11.596 1.00 10.00 C ATOM 407 CG GLN A 29 -9.988 -19.879 12.367 1.00 10.00 C ATOM 408 CD GLN A 29 -9.051 -18.873 11.693 1.00 10.00 C ATOM 409 OE1 GLN A 29 -9.112 -18.666 10.487 1.00 10.00 O ATOM 410 NE2 GLN A 29 -8.149 -18.257 12.447 1.00 10.00 N ATOM 0 H GLN A 29 -7.841 -21.058 10.181 1.00 10.00 H new ATOM 0 HA GLN A 29 -8.687 -22.322 12.742 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -10.325 -20.992 10.548 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -10.968 -21.764 11.983 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -10.976 -19.431 12.471 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -9.624 -20.086 13.373 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -8.111 -18.440 13.450 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -7.493 -17.600 12.024 1.00 10.00 H new ATOM 419 N THR A 30 -9.047 -24.526 11.575 1.00 10.00 N ATOM 420 CA THR A 30 -9.206 -25.833 10.953 1.00 10.00 C ATOM 421 C THR A 30 -10.349 -25.818 9.936 1.00 10.00 C ATOM 422 O THR A 30 -11.478 -25.505 10.306 1.00 10.00 O ATOM 423 CB THR A 30 -9.513 -26.840 12.070 1.00 10.00 C ATOM 424 OG1 THR A 30 -8.701 -26.535 13.190 1.00 10.00 O ATOM 425 CG2 THR A 30 -9.251 -28.274 11.609 1.00 10.00 C ATOM 0 H THR A 30 -8.960 -24.573 12.590 1.00 10.00 H new ATOM 0 HA THR A 30 -8.295 -26.106 10.420 1.00 10.00 H new ATOM 0 HB THR A 30 -10.567 -26.766 12.336 1.00 10.00 H new ATOM 0 HG1 THR A 30 -8.888 -27.170 13.912 1.00 10.00 H new ATOM 0 HG21 THR A 30 -9.477 -28.964 12.421 1.00 10.00 H new ATOM 0 HG22 THR A 30 -9.885 -28.502 10.752 1.00 10.00 H new ATOM 0 HG23 THR A 30 -8.204 -28.379 11.325 1.00 10.00 H new ATOM 433 N CYS A 31 -10.088 -26.155 8.668 1.00 10.00 N ATOM 434 CA CYS A 31 -11.143 -26.169 7.666 1.00 10.00 C ATOM 435 C CYS A 31 -12.140 -27.282 8.007 1.00 10.00 C ATOM 436 O CYS A 31 -11.757 -28.454 7.981 1.00 10.00 O ATOM 437 CB CYS A 31 -10.555 -26.391 6.272 1.00 10.00 C ATOM 438 SG CYS A 31 -11.798 -26.247 4.958 1.00 10.00 S ATOM 0 H CYS A 31 -9.166 -26.418 8.321 1.00 10.00 H new ATOM 0 HA CYS A 31 -11.655 -25.207 7.667 1.00 10.00 H new ATOM 0 HB2 CYS A 31 -9.761 -25.665 6.097 1.00 10.00 H new ATOM 0 HB3 CYS A 31 -10.098 -27.380 6.228 1.00 10.00 H new ATOM 443 N PRO A 32 -13.407 -26.971 8.325 1.00 10.00 N ATOM 444 CA PRO A 32 -14.368 -27.990 8.703 1.00 10.00 C ATOM 445 C PRO A 32 -14.748 -28.853 7.501 1.00 10.00 C ATOM 446 O PRO A 32 -14.924 -30.061 7.648 1.00 10.00 O ATOM 447 CB PRO A 32 -15.552 -27.224 9.297 1.00 10.00 C ATOM 448 CG PRO A 32 -15.515 -25.885 8.559 1.00 10.00 C ATOM 449 CD PRO A 32 -14.016 -25.648 8.362 1.00 10.00 C ATOM 0 HA PRO A 32 -13.970 -28.696 9.432 1.00 10.00 H new ATOM 0 HB2 PRO A 32 -16.493 -27.748 9.131 1.00 10.00 H new ATOM 0 HB3 PRO A 32 -15.446 -27.092 10.374 1.00 10.00 H new ATOM 0 HG2 PRO A 32 -16.045 -25.933 7.608 1.00 10.00 H new ATOM 0 HG3 PRO A 32 -15.977 -25.089 9.142 1.00 10.00 H new ATOM 0 HD2 PRO A 32 -13.824 -25.103 7.438 1.00 10.00 H new ATOM 0 HD3 PRO A 32 -13.604 -25.050 9.175 1.00 10.00 H new ATOM 457 N THR A 33 -14.850 -28.248 6.313 1.00 10.00 N ATOM 458 CA THR A 33 -15.206 -28.889 5.055 1.00 10.00 C ATOM 459 C THR A 33 -14.447 -30.200 4.815 1.00 10.00 C ATOM 460 O THR A 33 -15.025 -31.161 4.314 1.00 10.00 O ATOM 461 CB THR A 33 -14.944 -27.877 3.929 1.00 10.00 C ATOM 462 OG1 THR A 33 -15.192 -26.566 4.409 1.00 10.00 O ATOM 463 CG2 THR A 33 -15.816 -28.143 2.701 1.00 10.00 C ATOM 0 H THR A 33 -14.677 -27.249 6.204 1.00 10.00 H new ATOM 0 HA THR A 33 -16.258 -29.171 5.084 1.00 10.00 H new ATOM 0 HB THR A 33 -13.903 -27.982 3.624 1.00 10.00 H new ATOM 0 HG1 THR A 33 -14.344 -26.145 4.664 1.00 10.00 H new ATOM 0 HG21 THR A 33 -15.596 -27.403 1.931 1.00 10.00 H new ATOM 0 HG22 THR A 33 -15.607 -29.141 2.315 1.00 10.00 H new ATOM 0 HG23 THR A 33 -16.868 -28.075 2.980 1.00 10.00 H new ATOM 471 N CYS A 34 -13.161 -30.237 5.181 1.00 10.00 N ATOM 472 CA CYS A 34 -12.308 -31.415 5.055 1.00 10.00 C ATOM 473 C CYS A 34 -11.806 -31.886 6.423 1.00 10.00 C ATOM 474 O CYS A 34 -10.807 -32.600 6.500 1.00 10.00 O ATOM 475 CB CYS A 34 -11.141 -31.114 4.106 1.00 10.00 C ATOM 476 SG CYS A 34 -10.216 -29.592 4.421 1.00 10.00 S ATOM 0 H CYS A 34 -12.679 -29.432 5.580 1.00 10.00 H new ATOM 0 HA CYS A 34 -12.898 -32.229 4.633 1.00 10.00 H new ATOM 0 HB2 CYS A 34 -10.444 -31.951 4.146 1.00 10.00 H new ATOM 0 HB3 CYS A 34 -11.531 -31.072 3.089 1.00 10.00 H new ATOM 481 N HIS A 35 -12.476 -31.491 7.509 1.00 10.00 N ATOM 482 CA HIS A 35 -12.119 -31.858 8.876 1.00 10.00 C ATOM 483 C HIS A 35 -10.614 -31.676 9.127 1.00 10.00 C ATOM 484 O HIS A 35 -9.965 -32.523 9.736 1.00 10.00 O ATOM 485 CB HIS A 35 -12.573 -33.298 9.172 1.00 10.00 C ATOM 486 CG HIS A 35 -14.028 -33.604 8.897 1.00 10.00 C ATOM 487 ND1 HIS A 35 -15.021 -32.709 8.555 1.00 10.00 N ATOM 488 CD2 HIS A 35 -14.595 -34.849 8.926 1.00 10.00 C ATOM 489 CE1 HIS A 35 -16.154 -33.408 8.379 1.00 10.00 C ATOM 490 NE2 HIS A 35 -15.947 -34.717 8.596 1.00 10.00 N ATOM 0 H HIS A 35 -13.301 -30.893 7.457 1.00 10.00 H new ATOM 0 HA HIS A 35 -12.639 -31.189 9.562 1.00 10.00 H new ATOM 0 HB2 HIS A 35 -11.961 -33.979 8.581 1.00 10.00 H new ATOM 0 HB3 HIS A 35 -12.369 -33.514 10.221 1.00 10.00 H new ATOM 0 HD1 HIS A 35 -14.914 -31.700 8.454 1.00 10.00 H new ATOM 0 HD2 HIS A 35 -14.087 -35.772 9.162 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -17.104 -32.976 8.100 1.00 10.00 H new ATOM 498 N GLY A 36 -10.048 -30.569 8.641 1.00 10.00 N ATOM 499 CA GLY A 36 -8.638 -30.247 8.802 1.00 10.00 C ATOM 500 C GLY A 36 -7.666 -31.088 7.965 1.00 10.00 C ATOM 501 O GLY A 36 -6.475 -30.792 7.971 1.00 10.00 O ATOM 0 H GLY A 36 -10.568 -29.864 8.118 1.00 10.00 H new ATOM 0 HA2 GLY A 36 -8.492 -29.197 8.549 1.00 10.00 H new ATOM 0 HA3 GLY A 36 -8.376 -30.361 9.854 1.00 10.00 H new ATOM 505 N SER A 37 -8.120 -32.126 7.251 1.00 10.00 N ATOM 506 CA SER A 37 -7.214 -32.978 6.484 1.00 10.00 C ATOM 507 C SER A 37 -6.596 -32.238 5.298 1.00 10.00 C ATOM 508 O SER A 37 -5.413 -32.384 5.005 1.00 10.00 O ATOM 509 CB SER A 37 -7.953 -34.225 5.987 1.00 10.00 C ATOM 510 OG SER A 37 -8.939 -33.876 5.032 1.00 10.00 O ATOM 0 H SER A 37 -9.103 -32.392 7.191 1.00 10.00 H new ATOM 0 HA SER A 37 -6.404 -33.272 7.152 1.00 10.00 H new ATOM 0 HB2 SER A 37 -7.242 -34.923 5.544 1.00 10.00 H new ATOM 0 HB3 SER A 37 -8.420 -34.737 6.829 1.00 10.00 H new ATOM 0 HG SER A 37 -9.727 -33.517 5.491 1.00 10.00 H new ATOM 516 N GLY A 38 -7.445 -31.497 4.584 1.00 10.00 N ATOM 517 CA GLY A 38 -7.116 -30.793 3.354 1.00 10.00 C ATOM 518 C GLY A 38 -7.748 -31.479 2.139 1.00 10.00 C ATOM 519 O GLY A 38 -7.542 -31.022 1.017 1.00 10.00 O ATOM 0 H GLY A 38 -8.418 -31.369 4.862 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -7.466 -29.763 3.416 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -6.034 -30.755 3.232 1.00 10.00 H new ATOM 523 N GLN A 39 -8.528 -32.551 2.338 1.00 10.00 N ATOM 524 CA GLN A 39 -9.171 -33.300 1.266 1.00 10.00 C ATOM 525 C GLN A 39 -10.664 -33.462 1.557 1.00 10.00 C ATOM 526 O GLN A 39 -11.044 -33.891 2.644 1.00 10.00 O ATOM 527 CB GLN A 39 -8.458 -34.651 1.066 1.00 10.00 C ATOM 528 CG GLN A 39 -8.201 -35.410 2.379 1.00 10.00 C ATOM 529 CD GLN A 39 -7.492 -36.741 2.159 1.00 10.00 C ATOM 530 OE1 GLN A 39 -8.035 -37.803 2.453 1.00 10.00 O ATOM 531 NE2 GLN A 39 -6.260 -36.700 1.663 1.00 10.00 N ATOM 0 H GLN A 39 -8.729 -32.923 3.266 1.00 10.00 H new ATOM 0 HA GLN A 39 -9.086 -32.749 0.330 1.00 10.00 H new ATOM 0 HB2 GLN A 39 -9.060 -35.276 0.406 1.00 10.00 H new ATOM 0 HB3 GLN A 39 -7.507 -34.480 0.563 1.00 10.00 H new ATOM 0 HG2 GLN A 39 -7.600 -34.788 3.042 1.00 10.00 H new ATOM 0 HG3 GLN A 39 -9.151 -35.588 2.883 1.00 10.00 H new ATOM 0 HE21 GLN A 39 -5.834 -35.803 1.428 1.00 10.00 H new ATOM 0 HE22 GLN A 39 -5.740 -37.565 1.517 1.00 10.00 H new ATOM 540 N VAL A 40 -11.513 -33.139 0.580 1.00 10.00 N ATOM 541 CA VAL A 40 -12.955 -33.315 0.673 1.00 10.00 C ATOM 542 C VAL A 40 -13.269 -34.691 0.113 1.00 10.00 C ATOM 543 O VAL A 40 -12.787 -35.009 -0.970 1.00 10.00 O ATOM 544 CB VAL A 40 -13.720 -32.258 -0.141 1.00 10.00 C ATOM 545 CG1 VAL A 40 -13.772 -30.936 0.618 1.00 10.00 C ATOM 546 CG2 VAL A 40 -13.166 -32.029 -1.556 1.00 10.00 C ATOM 0 H VAL A 40 -11.209 -32.742 -0.309 1.00 10.00 H new ATOM 0 HA VAL A 40 -13.265 -33.209 1.713 1.00 10.00 H new ATOM 0 HB VAL A 40 -14.725 -32.659 -0.271 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -14.317 -30.199 0.028 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -14.279 -31.084 1.572 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -12.758 -30.579 0.797 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -13.762 -31.269 -2.062 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -12.131 -31.694 -1.492 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -13.212 -32.961 -2.120 1.00 10.00 H new ATOM 556 N GLN A 41 -14.083 -35.482 0.814 1.00 10.00 N ATOM 557 CA GLN A 41 -14.501 -36.792 0.353 1.00 10.00 C ATOM 558 C GLN A 41 -16.013 -36.783 0.158 1.00 10.00 C ATOM 559 O GLN A 41 -16.770 -36.615 1.111 1.00 10.00 O ATOM 560 CB GLN A 41 -14.022 -37.882 1.313 1.00 10.00 C ATOM 561 CG GLN A 41 -14.354 -39.282 0.763 1.00 10.00 C ATOM 562 CD GLN A 41 -13.839 -40.408 1.652 1.00 10.00 C ATOM 563 OE1 GLN A 41 -13.559 -40.217 2.832 1.00 10.00 O ATOM 564 NE2 GLN A 41 -13.737 -41.612 1.100 1.00 10.00 N ATOM 0 H GLN A 41 -14.469 -35.223 1.722 1.00 10.00 H new ATOM 0 HA GLN A 41 -14.042 -37.023 -0.608 1.00 10.00 H new ATOM 0 HB2 GLN A 41 -12.946 -37.792 1.465 1.00 10.00 H new ATOM 0 HB3 GLN A 41 -14.493 -37.748 2.287 1.00 10.00 H new ATOM 0 HG2 GLN A 41 -15.434 -39.377 0.655 1.00 10.00 H new ATOM 0 HG3 GLN A 41 -13.923 -39.387 -0.233 1.00 10.00 H new ATOM 0 HE21 GLN A 41 -13.976 -41.744 0.117 1.00 10.00 H new ATOM 0 HE22 GLN A 41 -13.420 -42.404 1.659 1.00 10.00 H new ATOM 573 N MET A 42 -16.436 -36.976 -1.089 1.00 10.00 N ATOM 574 CA MET A 42 -17.831 -37.099 -1.472 1.00 10.00 C ATOM 575 C MET A 42 -18.346 -38.425 -0.907 1.00 10.00 C ATOM 576 O MET A 42 -17.551 -39.320 -0.624 1.00 10.00 O ATOM 577 CB MET A 42 -17.945 -37.089 -3.003 1.00 10.00 C ATOM 578 CG MET A 42 -17.167 -35.973 -3.719 1.00 10.00 C ATOM 579 SD MET A 42 -17.629 -34.242 -3.416 1.00 10.00 S ATOM 580 CE MET A 42 -16.811 -33.872 -1.847 1.00 10.00 C ATOM 0 H MET A 42 -15.796 -37.053 -1.879 1.00 10.00 H new ATOM 0 HA MET A 42 -18.420 -36.269 -1.082 1.00 10.00 H new ATOM 0 HB2 MET A 42 -17.598 -38.050 -3.382 1.00 10.00 H new ATOM 0 HB3 MET A 42 -18.998 -37.003 -3.271 1.00 10.00 H new ATOM 0 HG2 MET A 42 -16.115 -36.084 -3.455 1.00 10.00 H new ATOM 0 HG3 MET A 42 -17.247 -36.152 -4.791 1.00 10.00 H new ATOM 0 HE1 MET A 42 -16.617 -32.801 -1.781 1.00 10.00 H new ATOM 0 HE2 MET A 42 -17.454 -34.176 -1.021 1.00 10.00 H new ATOM 0 HE3 MET A 42 -15.868 -34.415 -1.791 1.00 10.00 H new ATOM 590 N ARG A 43 -19.661 -38.568 -0.741 1.00 10.00 N ATOM 591 CA ARG A 43 -20.287 -39.782 -0.220 1.00 10.00 C ATOM 592 C ARG A 43 -21.628 -40.017 -0.920 1.00 10.00 C ATOM 593 O ARG A 43 -22.611 -40.386 -0.284 1.00 10.00 O ATOM 594 CB ARG A 43 -20.441 -39.699 1.311 1.00 10.00 C ATOM 595 CG ARG A 43 -19.093 -39.460 2.001 1.00 10.00 C ATOM 596 CD ARG A 43 -19.147 -39.666 3.519 1.00 10.00 C ATOM 597 NE ARG A 43 -17.884 -39.241 4.143 1.00 10.00 N ATOM 598 CZ ARG A 43 -16.692 -39.827 3.958 1.00 10.00 C ATOM 599 NH1 ARG A 43 -16.593 -40.999 3.323 1.00 10.00 N ATOM 600 NH2 ARG A 43 -15.583 -39.225 4.399 1.00 10.00 N ATOM 0 H ARG A 43 -20.330 -37.833 -0.968 1.00 10.00 H new ATOM 0 HA ARG A 43 -19.646 -40.638 -0.431 1.00 10.00 H new ATOM 0 HB2 ARG A 43 -21.129 -38.892 1.565 1.00 10.00 H new ATOM 0 HB3 ARG A 43 -20.882 -40.623 1.684 1.00 10.00 H new ATOM 0 HG2 ARG A 43 -18.350 -40.134 1.576 1.00 10.00 H new ATOM 0 HG3 ARG A 43 -18.759 -38.444 1.790 1.00 10.00 H new ATOM 0 HD2 ARG A 43 -19.976 -39.097 3.940 1.00 10.00 H new ATOM 0 HD3 ARG A 43 -19.335 -40.716 3.743 1.00 10.00 H new ATOM 0 HE ARG A 43 -17.918 -38.435 4.767 1.00 10.00 H new ATOM 0 HH11 ARG A 43 -17.432 -41.461 2.971 1.00 10.00 H new ATOM 0 HH12 ARG A 43 -15.679 -41.432 3.190 1.00 10.00 H new ATOM 0 HH21 ARG A 43 -15.646 -38.324 4.874 1.00 10.00 H new ATOM 0 HH22 ARG A 43 -14.674 -39.666 4.261 1.00 10.00 H new ATOM 614 N GLN A 44 -21.663 -39.793 -2.236 1.00 10.00 N ATOM 615 CA GLN A 44 -22.822 -39.941 -3.096 1.00 10.00 C ATOM 616 C GLN A 44 -22.334 -39.911 -4.546 1.00 10.00 C ATOM 617 O GLN A 44 -21.139 -40.072 -4.796 1.00 10.00 O ATOM 618 CB GLN A 44 -23.851 -38.844 -2.778 1.00 10.00 C ATOM 619 CG GLN A 44 -23.374 -37.398 -2.990 1.00 10.00 C ATOM 620 CD GLN A 44 -22.479 -36.902 -1.857 1.00 10.00 C ATOM 621 OE1 GLN A 44 -21.288 -36.681 -2.044 1.00 10.00 O ATOM 622 NE2 GLN A 44 -23.030 -36.746 -0.658 1.00 10.00 N ATOM 0 H GLN A 44 -20.836 -39.488 -2.750 1.00 10.00 H new ATOM 0 HA GLN A 44 -23.331 -40.890 -2.928 1.00 10.00 H new ATOM 0 HB2 GLN A 44 -24.734 -39.010 -3.396 1.00 10.00 H new ATOM 0 HB3 GLN A 44 -24.163 -38.955 -1.740 1.00 10.00 H new ATOM 0 HG2 GLN A 44 -22.830 -37.333 -3.932 1.00 10.00 H new ATOM 0 HG3 GLN A 44 -24.241 -36.743 -3.077 1.00 10.00 H new ATOM 0 HE21 GLN A 44 -24.023 -36.936 -0.525 1.00 10.00 H new ATOM 0 HE22 GLN A 44 -22.460 -36.437 0.129 1.00 10.00 H new ATOM 631 N GLY A 45 -23.237 -39.698 -5.506 1.00 10.00 N ATOM 632 CA GLY A 45 -22.891 -39.629 -6.917 1.00 10.00 C ATOM 633 C GLY A 45 -22.654 -41.023 -7.490 1.00 10.00 C ATOM 634 O GLY A 45 -23.386 -41.455 -8.377 1.00 10.00 O ATOM 0 H GLY A 45 -24.231 -39.569 -5.320 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -23.692 -39.137 -7.468 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -21.995 -39.022 -7.046 1.00 10.00 H new ATOM 638 N PHE A 46 -21.637 -41.727 -6.987 1.00 10.00 N ATOM 639 CA PHE A 46 -21.307 -43.074 -7.437 1.00 10.00 C ATOM 640 C PHE A 46 -20.500 -43.822 -6.375 1.00 10.00 C ATOM 641 O PHE A 46 -20.958 -44.842 -5.868 1.00 10.00 O ATOM 642 CB PHE A 46 -20.615 -43.050 -8.812 1.00 10.00 C ATOM 643 CG PHE A 46 -19.245 -42.395 -8.870 1.00 10.00 C ATOM 644 CD1 PHE A 46 -19.109 -41.003 -8.704 1.00 10.00 C ATOM 645 CD2 PHE A 46 -18.099 -43.185 -9.078 1.00 10.00 C ATOM 646 CE1 PHE A 46 -17.833 -40.413 -8.707 1.00 10.00 C ATOM 647 CE2 PHE A 46 -16.826 -42.591 -9.107 1.00 10.00 C ATOM 648 CZ PHE A 46 -16.692 -41.207 -8.915 1.00 10.00 C ATOM 0 H PHE A 46 -21.020 -41.375 -6.255 1.00 10.00 H new ATOM 0 HA PHE A 46 -22.234 -43.630 -7.573 1.00 10.00 H new ATOM 0 HB2 PHE A 46 -20.517 -44.077 -9.163 1.00 10.00 H new ATOM 0 HB3 PHE A 46 -21.270 -42.534 -9.515 1.00 10.00 H new ATOM 0 HD1 PHE A 46 -19.987 -40.388 -8.574 1.00 10.00 H new ATOM 0 HD2 PHE A 46 -18.198 -44.252 -9.216 1.00 10.00 H new ATOM 0 HE1 PHE A 46 -17.729 -39.350 -8.549 1.00 10.00 H new ATOM 0 HE2 PHE A 46 -15.950 -43.200 -9.277 1.00 10.00 H new ATOM 0 HZ PHE A 46 -15.712 -40.752 -8.927 1.00 10.00 H new ATOM 658 N PHE A 47 -19.321 -43.303 -6.020 1.00 10.00 N ATOM 659 CA PHE A 47 -18.421 -43.867 -5.023 1.00 10.00 C ATOM 660 C PHE A 47 -17.926 -42.717 -4.153 1.00 10.00 C ATOM 661 O PHE A 47 -17.915 -41.569 -4.597 1.00 10.00 O ATOM 662 CB PHE A 47 -17.220 -44.554 -5.696 1.00 10.00 C ATOM 663 CG PHE A 47 -17.497 -45.726 -6.625 1.00 10.00 C ATOM 664 CD1 PHE A 47 -18.523 -46.650 -6.353 1.00 10.00 C ATOM 665 CD2 PHE A 47 -16.634 -45.957 -7.714 1.00 10.00 C ATOM 666 CE1 PHE A 47 -18.763 -47.721 -7.231 1.00 10.00 C ATOM 667 CE2 PHE A 47 -16.868 -47.031 -8.590 1.00 10.00 C ATOM 668 CZ PHE A 47 -17.943 -47.905 -8.357 1.00 10.00 C ATOM 0 H PHE A 47 -18.958 -42.446 -6.438 1.00 10.00 H new ATOM 0 HA PHE A 47 -18.946 -44.615 -4.429 1.00 10.00 H new ATOM 0 HB2 PHE A 47 -16.678 -43.798 -6.264 1.00 10.00 H new ATOM 0 HB3 PHE A 47 -16.550 -44.902 -4.909 1.00 10.00 H new ATOM 0 HD1 PHE A 47 -19.128 -46.536 -5.466 1.00 10.00 H new ATOM 0 HD2 PHE A 47 -15.788 -45.306 -7.877 1.00 10.00 H new ATOM 0 HE1 PHE A 47 -19.578 -48.403 -7.040 1.00 10.00 H new ATOM 0 HE2 PHE A 47 -16.222 -47.184 -9.442 1.00 10.00 H new ATOM 0 HZ PHE A 47 -18.139 -48.717 -9.042 1.00 10.00 H new ATOM 678 N ALA A 48 -17.506 -43.020 -2.922 1.00 10.00 N ATOM 679 CA ALA A 48 -17.038 -42.013 -1.981 1.00 10.00 C ATOM 680 C ALA A 48 -15.627 -41.515 -2.322 1.00 10.00 C ATOM 681 O ALA A 48 -14.691 -41.704 -1.544 1.00 10.00 O ATOM 682 CB ALA A 48 -17.123 -42.571 -0.555 1.00 10.00 C ATOM 0 H ALA A 48 -17.483 -43.971 -2.555 1.00 10.00 H new ATOM 0 HA ALA A 48 -17.686 -41.140 -2.054 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -16.773 -41.819 0.152 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -18.157 -42.830 -0.327 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -16.500 -43.462 -0.475 1.00 10.00 H new ATOM 688 N VAL A 49 -15.470 -40.888 -3.490 1.00 10.00 N ATOM 689 CA VAL A 49 -14.191 -40.355 -3.951 1.00 10.00 C ATOM 690 C VAL A 49 -13.873 -39.033 -3.268 1.00 10.00 C ATOM 691 O VAL A 49 -14.707 -38.494 -2.544 1.00 10.00 O ATOM 692 CB VAL A 49 -14.161 -40.232 -5.480 1.00 10.00 C ATOM 693 CG1 VAL A 49 -14.202 -41.646 -6.049 1.00 10.00 C ATOM 694 CG2 VAL A 49 -15.296 -39.363 -6.042 1.00 10.00 C ATOM 0 H VAL A 49 -16.236 -40.736 -4.147 1.00 10.00 H new ATOM 0 HA VAL A 49 -13.409 -41.061 -3.671 1.00 10.00 H new ATOM 0 HB VAL A 49 -13.248 -39.718 -5.780 1.00 10.00 H new ATOM 0 HG11 VAL A 49 -14.182 -41.601 -7.138 1.00 10.00 H new ATOM 0 HG12 VAL A 49 -13.337 -42.207 -5.693 1.00 10.00 H new ATOM 0 HG13 VAL A 49 -15.116 -42.143 -5.723 1.00 10.00 H new ATOM 0 HG21 VAL A 49 -15.216 -39.318 -7.128 1.00 10.00 H new ATOM 0 HG22 VAL A 49 -16.257 -39.797 -5.767 1.00 10.00 H new ATOM 0 HG23 VAL A 49 -15.221 -38.356 -5.631 1.00 10.00 H new ATOM 704 N GLN A 50 -12.661 -38.515 -3.486 1.00 10.00 N ATOM 705 CA GLN A 50 -12.218 -37.295 -2.841 1.00 10.00 C ATOM 706 C GLN A 50 -11.443 -36.388 -3.785 1.00 10.00 C ATOM 707 O GLN A 50 -10.961 -36.839 -4.823 1.00 10.00 O ATOM 708 CB GLN A 50 -11.388 -37.680 -1.605 1.00 10.00 C ATOM 709 CG GLN A 50 -9.972 -38.159 -1.950 1.00 10.00 C ATOM 710 CD GLN A 50 -9.086 -38.248 -0.713 1.00 10.00 C ATOM 711 OE1 GLN A 50 -7.935 -37.830 -0.749 1.00 10.00 O ATOM 712 NE2 GLN A 50 -9.605 -38.772 0.392 1.00 10.00 N ATOM 0 H GLN A 50 -11.971 -38.932 -4.111 1.00 10.00 H new ATOM 0 HA GLN A 50 -13.088 -36.715 -2.535 1.00 10.00 H new ATOM 0 HB2 GLN A 50 -11.321 -36.820 -0.939 1.00 10.00 H new ATOM 0 HB3 GLN A 50 -11.907 -38.467 -1.058 1.00 10.00 H new ATOM 0 HG2 GLN A 50 -10.026 -39.137 -2.429 1.00 10.00 H new ATOM 0 HG3 GLN A 50 -9.523 -37.475 -2.670 1.00 10.00 H new ATOM 0 HE21 GLN A 50 -10.567 -39.112 0.392 1.00 10.00 H new ATOM 0 HE22 GLN A 50 -9.042 -38.834 1.240 1.00 10.00 H new ATOM 721 N GLN A 51 -11.284 -35.124 -3.382 1.00 10.00 N ATOM 722 CA GLN A 51 -10.506 -34.119 -4.092 1.00 10.00 C ATOM 723 C GLN A 51 -9.832 -33.217 -3.059 1.00 10.00 C ATOM 724 O GLN A 51 -10.269 -33.162 -1.909 1.00 10.00 O ATOM 725 CB GLN A 51 -11.391 -33.253 -5.007 1.00 10.00 C ATOM 726 CG GLN A 51 -12.379 -34.023 -5.896 1.00 10.00 C ATOM 727 CD GLN A 51 -13.686 -34.357 -5.179 1.00 10.00 C ATOM 728 OE1 GLN A 51 -14.035 -35.519 -5.000 1.00 10.00 O ATOM 729 NE2 GLN A 51 -14.432 -33.333 -4.772 1.00 10.00 N ATOM 0 H GLN A 51 -11.708 -34.767 -2.526 1.00 10.00 H new ATOM 0 HA GLN A 51 -9.772 -34.627 -4.718 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -11.955 -32.558 -4.385 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -10.744 -32.654 -5.648 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -12.599 -33.431 -6.784 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -11.911 -34.947 -6.236 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -14.117 -32.376 -4.934 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -15.319 -33.505 -4.298 1.00 10.00 H new ATOM 738 N THR A 52 -8.798 -32.482 -3.464 1.00 10.00 N ATOM 739 CA THR A 52 -8.145 -31.507 -2.605 1.00 10.00 C ATOM 740 C THR A 52 -9.178 -30.435 -2.250 1.00 10.00 C ATOM 741 O THR A 52 -9.890 -29.969 -3.137 1.00 10.00 O ATOM 742 CB THR A 52 -6.974 -30.891 -3.381 1.00 10.00 C ATOM 743 OG1 THR A 52 -6.209 -31.932 -3.954 1.00 10.00 O ATOM 744 CG2 THR A 52 -6.091 -30.032 -2.472 1.00 10.00 C ATOM 0 H THR A 52 -8.392 -32.549 -4.397 1.00 10.00 H new ATOM 0 HA THR A 52 -7.764 -31.963 -1.691 1.00 10.00 H new ATOM 0 HB THR A 52 -7.373 -30.242 -4.161 1.00 10.00 H new ATOM 0 HG1 THR A 52 -5.458 -31.549 -4.454 1.00 10.00 H new ATOM 0 HG21 THR A 52 -5.271 -29.611 -3.054 1.00 10.00 H new ATOM 0 HG22 THR A 52 -6.685 -29.224 -2.045 1.00 10.00 H new ATOM 0 HG23 THR A 52 -5.687 -30.649 -1.669 1.00 10.00 H new ATOM 752 N CYS A 53 -9.284 -30.032 -0.981 1.00 10.00 N ATOM 753 CA CYS A 53 -10.256 -29.020 -0.592 1.00 10.00 C ATOM 754 C CYS A 53 -9.884 -27.674 -1.225 1.00 10.00 C ATOM 755 O CYS A 53 -8.822 -27.136 -0.901 1.00 10.00 O ATOM 756 CB CYS A 53 -10.310 -28.887 0.928 1.00 10.00 C ATOM 757 SG CYS A 53 -11.598 -27.737 1.487 1.00 10.00 S ATOM 0 H CYS A 53 -8.712 -30.390 -0.216 1.00 10.00 H new ATOM 0 HA CYS A 53 -11.241 -29.324 -0.947 1.00 10.00 H new ATOM 0 HB2 CYS A 53 -10.489 -29.868 1.368 1.00 10.00 H new ATOM 0 HB3 CYS A 53 -9.341 -28.546 1.293 1.00 10.00 H new ATOM 762 N PRO A 54 -10.724 -27.100 -2.103 1.00 10.00 N ATOM 763 CA PRO A 54 -10.411 -25.839 -2.749 1.00 10.00 C ATOM 764 C PRO A 54 -10.460 -24.680 -1.754 1.00 10.00 C ATOM 765 O PRO A 54 -9.622 -23.785 -1.819 1.00 10.00 O ATOM 766 CB PRO A 54 -11.445 -25.686 -3.868 1.00 10.00 C ATOM 767 CG PRO A 54 -12.654 -26.468 -3.353 1.00 10.00 C ATOM 768 CD PRO A 54 -12.016 -27.603 -2.551 1.00 10.00 C ATOM 0 HA PRO A 54 -9.398 -25.827 -3.150 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -11.691 -24.639 -4.045 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -11.078 -26.091 -4.811 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -13.300 -25.848 -2.731 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -13.267 -26.847 -4.171 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -12.642 -27.882 -1.703 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -11.896 -28.495 -3.165 1.00 10.00 H new ATOM 776 N HIS A 55 -11.439 -24.690 -0.841 1.00 10.00 N ATOM 777 CA HIS A 55 -11.671 -23.629 0.134 1.00 10.00 C ATOM 778 C HIS A 55 -10.406 -23.200 0.889 1.00 10.00 C ATOM 779 O HIS A 55 -10.219 -22.004 1.120 1.00 10.00 O ATOM 780 CB HIS A 55 -12.793 -24.042 1.097 1.00 10.00 C ATOM 781 CG HIS A 55 -13.366 -22.896 1.895 1.00 10.00 C ATOM 782 ND1 HIS A 55 -12.862 -21.616 1.968 1.00 10.00 N ATOM 783 CD2 HIS A 55 -14.483 -22.946 2.687 1.00 10.00 C ATOM 784 CE1 HIS A 55 -13.667 -20.910 2.780 1.00 10.00 C ATOM 785 NE2 HIS A 55 -14.663 -21.678 3.249 1.00 10.00 N ATOM 0 H HIS A 55 -12.106 -25.458 -0.762 1.00 10.00 H new ATOM 0 HA HIS A 55 -11.983 -22.745 -0.423 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -13.594 -24.511 0.526 1.00 10.00 H new ATOM 0 HB3 HIS A 55 -12.409 -24.795 1.785 1.00 10.00 H new ATOM 0 HD1 HIS A 55 -12.030 -21.268 1.492 1.00 10.00 H new ATOM 0 HD2 HIS A 55 -15.111 -23.809 2.848 1.00 10.00 H new ATOM 0 HE1 HIS A 55 -13.531 -19.866 3.022 1.00 10.00 H new ATOM 793 N CYS A 56 -9.553 -24.162 1.259 1.00 10.00 N ATOM 794 CA CYS A 56 -8.286 -23.917 1.947 1.00 10.00 C ATOM 795 C CYS A 56 -7.088 -24.279 1.059 1.00 10.00 C ATOM 796 O CYS A 56 -5.972 -24.428 1.558 1.00 10.00 O ATOM 797 CB CYS A 56 -8.245 -24.691 3.270 1.00 10.00 C ATOM 798 SG CYS A 56 -8.527 -26.472 3.165 1.00 10.00 S ATOM 0 H CYS A 56 -9.730 -25.151 1.084 1.00 10.00 H new ATOM 0 HA CYS A 56 -8.217 -22.851 2.166 1.00 10.00 H new ATOM 0 HB2 CYS A 56 -7.272 -24.525 3.733 1.00 10.00 H new ATOM 0 HB3 CYS A 56 -8.993 -24.265 3.939 1.00 10.00 H new ATOM 803 N GLN A 57 -7.301 -24.428 -0.253 1.00 10.00 N ATOM 804 CA GLN A 57 -6.269 -24.762 -1.226 1.00 10.00 C ATOM 805 C GLN A 57 -5.427 -25.948 -0.735 1.00 10.00 C ATOM 806 O GLN A 57 -4.202 -25.933 -0.812 1.00 10.00 O ATOM 807 CB GLN A 57 -5.413 -23.525 -1.557 1.00 10.00 C ATOM 808 CG GLN A 57 -6.213 -22.293 -2.017 1.00 10.00 C ATOM 809 CD GLN A 57 -6.917 -21.562 -0.872 1.00 10.00 C ATOM 810 OE1 GLN A 57 -6.275 -20.921 -0.045 1.00 10.00 O ATOM 811 NE2 GLN A 57 -8.238 -21.666 -0.795 1.00 10.00 N ATOM 0 H GLN A 57 -8.223 -24.315 -0.673 1.00 10.00 H new ATOM 0 HA GLN A 57 -6.745 -25.074 -2.155 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -4.832 -23.255 -0.675 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -4.701 -23.791 -2.338 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -5.540 -21.600 -2.521 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -6.957 -22.605 -2.750 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -8.749 -22.204 -1.495 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -8.742 -21.207 -0.036 1.00 10.00 H new ATOM 820 N GLY A 58 -6.096 -26.979 -0.212 1.00 10.00 N ATOM 821 CA GLY A 58 -5.457 -28.185 0.295 1.00 10.00 C ATOM 822 C GLY A 58 -4.667 -28.019 1.598 1.00 10.00 C ATOM 823 O GLY A 58 -4.153 -29.010 2.108 1.00 10.00 O ATOM 0 H GLY A 58 -7.113 -26.994 -0.130 1.00 10.00 H new ATOM 0 HA2 GLY A 58 -6.225 -28.943 0.451 1.00 10.00 H new ATOM 0 HA3 GLY A 58 -4.783 -28.567 -0.471 1.00 10.00 H new ATOM 827 N ARG A 59 -4.560 -26.813 2.167 1.00 10.00 N ATOM 828 CA ARG A 59 -3.777 -26.588 3.383 1.00 10.00 C ATOM 829 C ARG A 59 -4.501 -27.027 4.662 1.00 10.00 C ATOM 830 O ARG A 59 -3.952 -26.891 5.753 1.00 10.00 O ATOM 831 CB ARG A 59 -3.364 -25.110 3.478 1.00 10.00 C ATOM 832 CG ARG A 59 -2.646 -24.655 2.201 1.00 10.00 C ATOM 833 CD ARG A 59 -1.876 -23.342 2.389 1.00 10.00 C ATOM 834 NE ARG A 59 -2.617 -22.267 3.069 1.00 10.00 N ATOM 835 CZ ARG A 59 -3.591 -21.529 2.521 1.00 10.00 C ATOM 836 NH1 ARG A 59 -4.486 -22.057 1.681 1.00 10.00 N ATOM 837 NH2 ARG A 59 -3.644 -20.231 2.831 1.00 10.00 N ATOM 0 H ARG A 59 -5.010 -25.974 1.800 1.00 10.00 H new ATOM 0 HA ARG A 59 -2.889 -27.215 3.305 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -4.247 -24.492 3.643 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -2.710 -24.966 4.338 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -1.954 -25.434 1.881 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -3.378 -24.531 1.403 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -0.969 -23.550 2.957 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -1.563 -22.981 1.409 1.00 10.00 H new ATOM 0 HE ARG A 59 -2.368 -22.068 4.038 1.00 10.00 H new ATOM 0 HH11 ARG A 59 -4.438 -23.047 1.442 1.00 10.00 H new ATOM 0 HH12 ARG A 59 -5.217 -21.470 1.279 1.00 10.00 H new ATOM 0 HH21 ARG A 59 -2.955 -19.830 3.468 1.00 10.00 H new ATOM 0 HH22 ARG A 59 -4.373 -19.640 2.431 1.00 10.00 H new ATOM 851 N GLY A 60 -5.747 -27.501 4.557 1.00 10.00 N ATOM 852 CA GLY A 60 -6.564 -27.925 5.695 1.00 10.00 C ATOM 853 C GLY A 60 -6.882 -26.805 6.696 1.00 10.00 C ATOM 854 O GLY A 60 -7.561 -27.043 7.693 1.00 10.00 O ATOM 0 H GLY A 60 -6.223 -27.602 3.661 1.00 10.00 H new ATOM 0 HA2 GLY A 60 -7.500 -28.339 5.321 1.00 10.00 H new ATOM 0 HA3 GLY A 60 -6.047 -28.729 6.219 1.00 10.00 H new ATOM 858 N THR A 61 -6.397 -25.588 6.451 1.00 10.00 N ATOM 859 CA THR A 61 -6.510 -24.444 7.328 1.00 10.00 C ATOM 860 C THR A 61 -7.131 -23.270 6.576 1.00 10.00 C ATOM 861 O THR A 61 -6.666 -22.887 5.506 1.00 10.00 O ATOM 862 CB THR A 61 -5.101 -24.105 7.830 1.00 10.00 C ATOM 863 OG1 THR A 61 -4.115 -24.343 6.841 1.00 10.00 O ATOM 864 CG2 THR A 61 -4.754 -24.936 9.069 1.00 10.00 C ATOM 0 H THR A 61 -5.892 -25.372 5.592 1.00 10.00 H new ATOM 0 HA THR A 61 -7.158 -24.663 8.176 1.00 10.00 H new ATOM 0 HB THR A 61 -5.105 -23.043 8.077 1.00 10.00 H new ATOM 0 HG1 THR A 61 -4.069 -25.303 6.650 1.00 10.00 H new ATOM 0 HG21 THR A 61 -3.750 -24.680 9.409 1.00 10.00 H new ATOM 0 HG22 THR A 61 -5.471 -24.724 9.862 1.00 10.00 H new ATOM 0 HG23 THR A 61 -4.793 -25.996 8.819 1.00 10.00 H new ATOM 872 N LEU A 62 -8.173 -22.683 7.162 1.00 10.00 N ATOM 873 CA LEU A 62 -8.839 -21.499 6.660 1.00 10.00 C ATOM 874 C LEU A 62 -8.189 -20.295 7.315 1.00 10.00 C ATOM 875 O LEU A 62 -7.769 -20.355 8.472 1.00 10.00 O ATOM 876 CB LEU A 62 -10.336 -21.508 6.983 1.00 10.00 C ATOM 877 CG LEU A 62 -11.135 -22.506 6.142 1.00 10.00 C ATOM 878 CD1 LEU A 62 -12.599 -22.460 6.589 1.00 10.00 C ATOM 879 CD2 LEU A 62 -11.080 -22.159 4.653 1.00 10.00 C ATOM 0 H LEU A 62 -8.584 -23.035 8.026 1.00 10.00 H new ATOM 0 HA LEU A 62 -8.741 -21.466 5.575 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -10.471 -21.744 8.038 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -10.740 -20.508 6.826 1.00 10.00 H new ATOM 0 HG LEU A 62 -10.702 -23.496 6.286 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -13.182 -23.167 5.998 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -12.666 -22.727 7.644 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -12.992 -21.454 6.443 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -11.659 -22.890 4.088 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -11.498 -21.165 4.495 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -10.044 -22.175 4.314 1.00 10.00 H new ATOM 891 N ILE A 63 -8.099 -19.218 6.539 1.00 10.00 N ATOM 892 CA ILE A 63 -7.468 -17.981 6.928 1.00 10.00 C ATOM 893 C ILE A 63 -8.542 -16.910 7.145 1.00 10.00 C ATOM 894 O ILE A 63 -8.675 -15.993 6.338 1.00 10.00 O ATOM 895 CB ILE A 63 -6.461 -17.582 5.829 1.00 10.00 C ATOM 896 CG1 ILE A 63 -5.596 -18.731 5.277 1.00 10.00 C ATOM 897 CG2 ILE A 63 -5.573 -16.464 6.368 1.00 10.00 C ATOM 898 CD1 ILE A 63 -4.713 -19.410 6.324 1.00 10.00 C ATOM 0 H ILE A 63 -8.479 -19.192 5.593 1.00 10.00 H new ATOM 0 HA ILE A 63 -6.925 -18.092 7.867 1.00 10.00 H new ATOM 0 HB ILE A 63 -7.054 -17.254 4.975 1.00 10.00 H new ATOM 0 HG12 ILE A 63 -6.249 -19.479 4.829 1.00 10.00 H new ATOM 0 HG13 ILE A 63 -4.962 -18.343 4.480 1.00 10.00 H new ATOM 0 HG21 ILE A 63 -4.854 -16.169 5.603 1.00 10.00 H new ATOM 0 HG22 ILE A 63 -6.190 -15.606 6.636 1.00 10.00 H new ATOM 0 HG23 ILE A 63 -5.039 -16.817 7.251 1.00 10.00 H new ATOM 0 HD11 ILE A 63 -4.137 -20.207 5.853 1.00 10.00 H new ATOM 0 HD12 ILE A 63 -4.032 -18.677 6.756 1.00 10.00 H new ATOM 0 HD13 ILE A 63 -5.339 -19.831 7.110 1.00 10.00 H new ATOM 910 N LYS A 64 -9.304 -16.982 8.243 1.00 10.00 N ATOM 911 CA LYS A 64 -10.263 -15.916 8.531 1.00 10.00 C ATOM 912 C LYS A 64 -9.486 -14.619 8.829 1.00 10.00 C ATOM 913 O LYS A 64 -9.998 -13.524 8.617 1.00 10.00 O ATOM 914 CB LYS A 64 -11.195 -16.254 9.708 1.00 10.00 C ATOM 915 CG LYS A 64 -12.406 -17.116 9.325 1.00 10.00 C ATOM 916 CD LYS A 64 -12.035 -18.557 8.960 1.00 10.00 C ATOM 917 CE LYS A 64 -13.284 -19.419 8.748 1.00 10.00 C ATOM 918 NZ LYS A 64 -14.048 -18.999 7.559 1.00 10.00 N ATOM 0 H LYS A 64 -9.277 -17.741 8.924 1.00 10.00 H new ATOM 0 HA LYS A 64 -10.900 -15.793 7.655 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -10.620 -16.775 10.474 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -11.551 -15.325 10.153 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -13.111 -17.129 10.156 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -12.918 -16.655 8.480 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -11.431 -18.560 8.053 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -11.423 -18.989 9.752 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -12.990 -20.463 8.640 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -13.922 -19.357 9.630 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -14.847 -19.649 7.412 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -14.408 -18.034 7.701 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -13.429 -19.018 6.724 1.00 10.00 H new ATOM 932 N ASP A 65 -8.254 -14.762 9.337 1.00 10.00 N ATOM 933 CA ASP A 65 -7.316 -13.704 9.698 1.00 10.00 C ATOM 934 C ASP A 65 -6.206 -13.593 8.630 1.00 10.00 C ATOM 935 O ASP A 65 -5.116 -14.130 8.830 1.00 10.00 O ATOM 936 CB ASP A 65 -6.744 -14.026 11.093 1.00 10.00 C ATOM 937 CG ASP A 65 -6.028 -15.379 11.170 1.00 10.00 C ATOM 938 OD1 ASP A 65 -6.705 -16.404 10.927 1.00 10.00 O ATOM 939 OD2 ASP A 65 -4.815 -15.367 11.467 1.00 10.00 O ATOM 0 H ASP A 65 -7.865 -15.687 9.517 1.00 10.00 H new ATOM 0 HA ASP A 65 -7.817 -12.737 9.736 1.00 10.00 H new ATOM 0 HB2 ASP A 65 -6.046 -13.239 11.380 1.00 10.00 H new ATOM 0 HB3 ASP A 65 -7.556 -14.013 11.820 1.00 10.00 H new ATOM 944 N PRO A 66 -6.449 -12.930 7.486 1.00 10.00 N ATOM 945 CA PRO A 66 -5.489 -12.842 6.393 1.00 10.00 C ATOM 946 C PRO A 66 -4.223 -12.051 6.717 1.00 10.00 C ATOM 947 O PRO A 66 -4.274 -10.857 7.009 1.00 10.00 O ATOM 948 CB PRO A 66 -6.249 -12.212 5.221 1.00 10.00 C ATOM 949 CG PRO A 66 -7.327 -11.382 5.913 1.00 10.00 C ATOM 950 CD PRO A 66 -7.685 -12.261 7.109 1.00 10.00 C ATOM 0 HA PRO A 66 -5.114 -13.840 6.166 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -5.597 -11.593 4.604 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -6.681 -12.969 4.567 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -6.955 -10.405 6.221 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -8.185 -11.206 5.265 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -8.074 -11.663 7.933 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -8.458 -12.984 6.847 1.00 10.00 H new ATOM 958 N CYS A 67 -3.070 -12.710 6.587 1.00 10.00 N ATOM 959 CA CYS A 67 -1.769 -12.079 6.687 1.00 10.00 C ATOM 960 C CYS A 67 -1.633 -11.177 5.460 1.00 10.00 C ATOM 961 O CYS A 67 -1.216 -11.635 4.394 1.00 10.00 O ATOM 962 CB CYS A 67 -0.675 -13.155 6.697 1.00 10.00 C ATOM 963 SG CYS A 67 1.038 -12.563 6.600 1.00 10.00 S ATOM 0 H CYS A 67 -3.022 -13.713 6.407 1.00 10.00 H new ATOM 0 HA CYS A 67 -1.667 -11.499 7.604 1.00 10.00 H new ATOM 0 HB2 CYS A 67 -0.782 -13.743 7.608 1.00 10.00 H new ATOM 0 HB3 CYS A 67 -0.851 -13.830 5.859 1.00 10.00 H new ATOM 968 N ASN A 68 -2.036 -9.911 5.608 1.00 10.00 N ATOM 969 CA ASN A 68 -2.041 -8.898 4.557 1.00 10.00 C ATOM 970 C ASN A 68 -0.793 -8.958 3.678 1.00 10.00 C ATOM 971 O ASN A 68 -0.915 -8.908 2.458 1.00 10.00 O ATOM 972 CB ASN A 68 -2.209 -7.502 5.159 1.00 10.00 C ATOM 973 CG ASN A 68 -2.165 -6.438 4.066 1.00 10.00 C ATOM 974 OD1 ASN A 68 -1.164 -5.749 3.908 1.00 10.00 O ATOM 975 ND2 ASN A 68 -3.239 -6.303 3.294 1.00 10.00 N ATOM 0 H ASN A 68 -2.380 -9.554 6.499 1.00 10.00 H new ATOM 0 HA ASN A 68 -2.893 -9.113 3.912 1.00 10.00 H new ATOM 0 HB2 ASN A 68 -3.157 -7.442 5.694 1.00 10.00 H new ATOM 0 HB3 ASN A 68 -1.419 -7.316 5.887 1.00 10.00 H new ATOM 0 HD21 ASN A 68 -3.245 -5.611 2.545 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -4.057 -6.892 3.451 1.00 10.00 H new ATOM 982 N LYS A 69 0.391 -9.107 4.284 1.00 10.00 N ATOM 983 CA LYS A 69 1.666 -9.206 3.577 1.00 10.00 C ATOM 984 C LYS A 69 1.594 -10.139 2.356 1.00 10.00 C ATOM 985 O LYS A 69 2.205 -9.851 1.331 1.00 10.00 O ATOM 986 CB LYS A 69 2.763 -9.645 4.557 1.00 10.00 C ATOM 987 CG LYS A 69 4.158 -9.370 3.980 1.00 10.00 C ATOM 988 CD LYS A 69 5.238 -9.834 4.963 1.00 10.00 C ATOM 989 CE LYS A 69 6.653 -9.649 4.398 1.00 10.00 C ATOM 990 NZ LYS A 69 6.966 -8.233 4.140 1.00 10.00 N ATOM 0 H LYS A 69 0.488 -9.163 5.298 1.00 10.00 H new ATOM 0 HA LYS A 69 1.911 -8.219 3.184 1.00 10.00 H new ATOM 0 HB2 LYS A 69 2.645 -9.114 5.502 1.00 10.00 H new ATOM 0 HB3 LYS A 69 2.658 -10.708 4.773 1.00 10.00 H new ATOM 0 HG2 LYS A 69 4.275 -9.889 3.029 1.00 10.00 H new ATOM 0 HG3 LYS A 69 4.273 -8.305 3.778 1.00 10.00 H new ATOM 0 HD2 LYS A 69 5.144 -9.275 5.894 1.00 10.00 H new ATOM 0 HD3 LYS A 69 5.080 -10.885 5.205 1.00 10.00 H new ATOM 0 HE2 LYS A 69 7.380 -10.058 5.100 1.00 10.00 H new ATOM 0 HE3 LYS A 69 6.750 -10.216 3.472 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 7.963 -8.144 3.856 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 6.356 -7.876 3.377 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 6.801 -7.678 5.004 1.00 10.00 H new ATOM 1004 N CYS A 70 0.839 -11.240 2.463 1.00 10.00 N ATOM 1005 CA CYS A 70 0.631 -12.202 1.383 1.00 10.00 C ATOM 1006 C CYS A 70 -0.861 -12.395 1.091 1.00 10.00 C ATOM 1007 O CYS A 70 -1.236 -13.371 0.442 1.00 10.00 O ATOM 1008 CB CYS A 70 1.247 -13.540 1.795 1.00 10.00 C ATOM 1009 SG CYS A 70 0.532 -14.259 3.294 1.00 10.00 S ATOM 0 H CYS A 70 0.348 -11.488 3.322 1.00 10.00 H new ATOM 0 HA CYS A 70 1.105 -11.823 0.478 1.00 10.00 H new ATOM 0 HB2 CYS A 70 1.130 -14.248 0.975 1.00 10.00 H new ATOM 0 HB3 CYS A 70 2.318 -13.402 1.947 1.00 10.00 H new ATOM 1014 N HIS A 71 -1.726 -11.512 1.601 1.00 10.00 N ATOM 1015 CA HIS A 71 -3.177 -11.619 1.490 1.00 10.00 C ATOM 1016 C HIS A 71 -3.641 -13.051 1.812 1.00 10.00 C ATOM 1017 O HIS A 71 -4.480 -13.611 1.114 1.00 10.00 O ATOM 1018 CB HIS A 71 -3.650 -11.127 0.112 1.00 10.00 C ATOM 1019 CG HIS A 71 -3.610 -9.628 -0.068 1.00 10.00 C ATOM 1020 ND1 HIS A 71 -2.609 -8.774 0.336 1.00 10.00 N ATOM 1021 CD2 HIS A 71 -4.588 -8.862 -0.647 1.00 10.00 C ATOM 1022 CE1 HIS A 71 -2.980 -7.524 0.013 1.00 10.00 C ATOM 1023 NE2 HIS A 71 -4.181 -7.526 -0.586 1.00 10.00 N ATOM 0 H HIS A 71 -1.425 -10.684 2.115 1.00 10.00 H new ATOM 0 HA HIS A 71 -3.644 -10.969 2.230 1.00 10.00 H new ATOM 0 HB2 HIS A 71 -3.030 -11.589 -0.657 1.00 10.00 H new ATOM 0 HB3 HIS A 71 -4.671 -11.472 -0.052 1.00 10.00 H new ATOM 0 HD1 HIS A 71 -1.740 -9.042 0.798 1.00 10.00 H new ATOM 0 HD2 HIS A 71 -5.510 -9.226 -1.075 1.00 10.00 H new ATOM 0 HE1 HIS A 71 -2.393 -6.639 0.208 1.00 10.00 H new ATOM 1031 N GLY A 72 -3.079 -13.657 2.865 1.00 10.00 N ATOM 1032 CA GLY A 72 -3.441 -15.004 3.286 1.00 10.00 C ATOM 1033 C GLY A 72 -3.079 -16.139 2.315 1.00 10.00 C ATOM 1034 O GLY A 72 -3.468 -17.276 2.567 1.00 10.00 O ATOM 0 H GLY A 72 -2.361 -13.222 3.445 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -2.959 -15.205 4.243 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -4.517 -15.031 3.459 1.00 10.00 H new ATOM 1038 N HIS A 73 -2.338 -15.881 1.229 1.00 10.00 N ATOM 1039 CA HIS A 73 -1.963 -16.934 0.282 1.00 10.00 C ATOM 1040 C HIS A 73 -0.845 -17.808 0.856 1.00 10.00 C ATOM 1041 O HIS A 73 -0.825 -19.019 0.647 1.00 10.00 O ATOM 1042 CB HIS A 73 -1.554 -16.330 -1.065 1.00 10.00 C ATOM 1043 CG HIS A 73 -2.673 -15.580 -1.738 1.00 10.00 C ATOM 1044 ND1 HIS A 73 -3.061 -14.294 -1.454 1.00 10.00 N ATOM 1045 CD2 HIS A 73 -3.526 -16.069 -2.692 1.00 10.00 C ATOM 1046 CE1 HIS A 73 -4.128 -14.012 -2.218 1.00 10.00 C ATOM 1047 NE2 HIS A 73 -4.446 -15.061 -2.996 1.00 10.00 N ATOM 0 H HIS A 73 -1.988 -14.954 0.987 1.00 10.00 H new ATOM 0 HA HIS A 73 -2.833 -17.570 0.115 1.00 10.00 H new ATOM 0 HB2 HIS A 73 -0.711 -15.655 -0.913 1.00 10.00 H new ATOM 0 HB3 HIS A 73 -1.210 -17.127 -1.725 1.00 10.00 H new ATOM 0 HD1 HIS A 73 -2.618 -13.666 -0.783 1.00 10.00 H new ATOM 0 HD2 HIS A 73 -3.494 -17.056 -3.130 1.00 10.00 H new ATOM 0 HE1 HIS A 73 -4.658 -13.071 -2.209 1.00 10.00 H new ATOM 1055 N GLY A 74 0.093 -17.181 1.569 1.00 10.00 N ATOM 1056 CA GLY A 74 1.203 -17.851 2.244 1.00 10.00 C ATOM 1057 C GLY A 74 2.568 -17.671 1.575 1.00 10.00 C ATOM 1058 O GLY A 74 3.537 -18.296 2.004 1.00 10.00 O ATOM 0 H GLY A 74 0.101 -16.169 1.695 1.00 10.00 H new ATOM 0 HA2 GLY A 74 1.264 -17.480 3.267 1.00 10.00 H new ATOM 0 HA3 GLY A 74 0.982 -18.917 2.305 1.00 10.00 H new ATOM 1062 N ARG A 75 2.686 -16.814 0.556 1.00 10.00 N ATOM 1063 CA ARG A 75 3.949 -16.572 -0.134 1.00 10.00 C ATOM 1064 C ARG A 75 4.084 -15.095 -0.492 1.00 10.00 C ATOM 1065 O ARG A 75 3.077 -14.398 -0.608 1.00 10.00 O ATOM 1066 CB ARG A 75 4.109 -17.511 -1.342 1.00 10.00 C ATOM 1067 CG ARG A 75 3.336 -17.137 -2.618 1.00 10.00 C ATOM 1068 CD ARG A 75 1.816 -17.017 -2.451 1.00 10.00 C ATOM 1069 NE ARG A 75 1.230 -18.173 -1.756 1.00 10.00 N ATOM 1070 CZ ARG A 75 0.889 -19.342 -2.312 1.00 10.00 C ATOM 1071 NH1 ARG A 75 1.217 -19.615 -3.579 1.00 10.00 N ATOM 1072 NH2 ARG A 75 0.209 -20.232 -1.584 1.00 10.00 N ATOM 0 H ARG A 75 1.905 -16.270 0.189 1.00 10.00 H new ATOM 0 HA ARG A 75 4.775 -16.807 0.537 1.00 10.00 H new ATOM 0 HB2 ARG A 75 5.169 -17.567 -1.591 1.00 10.00 H new ATOM 0 HB3 ARG A 75 3.800 -18.511 -1.038 1.00 10.00 H new ATOM 0 HG2 ARG A 75 3.720 -16.188 -2.991 1.00 10.00 H new ATOM 0 HG3 ARG A 75 3.543 -17.887 -3.382 1.00 10.00 H new ATOM 0 HD2 ARG A 75 1.586 -16.108 -1.894 1.00 10.00 H new ATOM 0 HD3 ARG A 75 1.353 -16.915 -3.433 1.00 10.00 H new ATOM 0 HE ARG A 75 1.068 -18.075 -0.754 1.00 10.00 H new ATOM 0 HH11 ARG A 75 1.732 -18.929 -4.132 1.00 10.00 H new ATOM 0 HH12 ARG A 75 0.952 -20.509 -3.993 1.00 10.00 H new ATOM 0 HH21 ARG A 75 -0.043 -20.016 -0.619 1.00 10.00 H new ATOM 0 HH22 ARG A 75 -0.058 -21.127 -1.993 1.00 10.00 H new ATOM 1086 N VAL A 76 5.321 -14.621 -0.650 1.00 10.00 N ATOM 1087 CA VAL A 76 5.655 -13.240 -0.978 1.00 10.00 C ATOM 1088 C VAL A 76 6.706 -13.241 -2.084 1.00 10.00 C ATOM 1089 O VAL A 76 7.438 -14.218 -2.226 1.00 10.00 O ATOM 1090 CB VAL A 76 6.169 -12.498 0.270 1.00 10.00 C ATOM 1091 CG1 VAL A 76 5.045 -12.330 1.297 1.00 10.00 C ATOM 1092 CG2 VAL A 76 7.360 -13.204 0.934 1.00 10.00 C ATOM 0 H VAL A 76 6.146 -15.213 -0.549 1.00 10.00 H new ATOM 0 HA VAL A 76 4.764 -12.717 -1.326 1.00 10.00 H new ATOM 0 HB VAL A 76 6.512 -11.522 -0.073 1.00 10.00 H new ATOM 0 HG11 VAL A 76 5.427 -11.804 2.172 1.00 10.00 H new ATOM 0 HG12 VAL A 76 4.231 -11.756 0.855 1.00 10.00 H new ATOM 0 HG13 VAL A 76 4.676 -13.311 1.596 1.00 10.00 H new ATOM 0 HG21 VAL A 76 7.679 -12.636 1.808 1.00 10.00 H new ATOM 0 HG22 VAL A 76 7.063 -14.207 1.242 1.00 10.00 H new ATOM 0 HG23 VAL A 76 8.185 -13.272 0.224 1.00 10.00 H new ATOM 1102 N GLU A 77 6.787 -12.156 -2.858 1.00 10.00 N ATOM 1103 CA GLU A 77 7.758 -12.005 -3.932 1.00 10.00 C ATOM 1104 C GLU A 77 9.040 -11.386 -3.375 1.00 10.00 C ATOM 1105 O GLU A 77 8.981 -10.556 -2.468 1.00 10.00 O ATOM 1106 CB GLU A 77 7.158 -11.109 -5.027 1.00 10.00 C ATOM 1107 CG GLU A 77 8.058 -10.986 -6.267 1.00 10.00 C ATOM 1108 CD GLU A 77 7.534 -9.922 -7.223 1.00 10.00 C ATOM 1109 OE1 GLU A 77 7.832 -8.736 -6.956 1.00 10.00 O ATOM 1110 OE2 GLU A 77 6.847 -10.310 -8.192 1.00 10.00 O ATOM 0 H GLU A 77 6.170 -11.351 -2.751 1.00 10.00 H new ATOM 0 HA GLU A 77 7.999 -12.978 -4.361 1.00 10.00 H new ATOM 0 HB2 GLU A 77 6.190 -11.511 -5.327 1.00 10.00 H new ATOM 0 HB3 GLU A 77 6.978 -10.115 -4.617 1.00 10.00 H new ATOM 0 HG2 GLU A 77 9.073 -10.735 -5.960 1.00 10.00 H new ATOM 0 HG3 GLU A 77 8.109 -11.947 -6.780 1.00 10.00 H new ATOM 1117 N ARG A 78 10.194 -11.737 -3.947 1.00 10.00 N ATOM 1118 CA ARG A 78 11.488 -11.174 -3.576 1.00 10.00 C ATOM 1119 C ARG A 78 11.643 -9.752 -4.143 1.00 10.00 C ATOM 1120 O ARG A 78 12.649 -9.423 -4.769 1.00 10.00 O ATOM 1121 CB ARG A 78 12.595 -12.106 -4.093 1.00 10.00 C ATOM 1122 CG ARG A 78 13.869 -12.018 -3.248 1.00 10.00 C ATOM 1123 CD ARG A 78 15.002 -12.778 -3.942 1.00 10.00 C ATOM 1124 NE ARG A 78 16.176 -12.893 -3.071 1.00 10.00 N ATOM 1125 CZ ARG A 78 17.237 -13.661 -3.350 1.00 10.00 C ATOM 1126 NH1 ARG A 78 17.410 -14.168 -4.576 1.00 10.00 N ATOM 1127 NH2 ARG A 78 18.125 -13.923 -2.387 1.00 10.00 N ATOM 0 H ARG A 78 10.253 -12.431 -4.692 1.00 10.00 H new ATOM 0 HA ARG A 78 11.562 -11.097 -2.491 1.00 10.00 H new ATOM 0 HB2 ARG A 78 12.232 -13.134 -4.093 1.00 10.00 H new ATOM 0 HB3 ARG A 78 12.829 -11.851 -5.127 1.00 10.00 H new ATOM 0 HG2 ARG A 78 14.151 -10.975 -3.106 1.00 10.00 H new ATOM 0 HG3 ARG A 78 13.690 -12.437 -2.258 1.00 10.00 H new ATOM 0 HD2 ARG A 78 14.657 -13.773 -4.224 1.00 10.00 H new ATOM 0 HD3 ARG A 78 15.278 -12.263 -4.862 1.00 10.00 H new ATOM 0 HE ARG A 78 16.185 -12.357 -2.203 1.00 10.00 H new ATOM 0 HH11 ARG A 78 16.730 -13.971 -5.310 1.00 10.00 H new ATOM 0 HH12 ARG A 78 18.222 -14.752 -4.777 1.00 10.00 H new ATOM 0 HH21 ARG A 78 17.991 -13.539 -1.451 1.00 10.00 H new ATOM 0 HH22 ARG A 78 18.937 -14.507 -2.587 1.00 10.00 H new ATOM 1141 N SER A 79 10.645 -8.890 -3.941 1.00 10.00 N ATOM 1142 CA SER A 79 10.631 -7.536 -4.466 1.00 10.00 C ATOM 1143 C SER A 79 11.827 -6.734 -3.948 1.00 10.00 C ATOM 1144 O SER A 79 11.657 -5.716 -3.279 1.00 10.00 O ATOM 1145 CB SER A 79 9.290 -6.891 -4.101 1.00 10.00 C ATOM 1146 OG SER A 79 8.235 -7.786 -4.408 1.00 10.00 O ATOM 0 H SER A 79 9.813 -9.123 -3.398 1.00 10.00 H new ATOM 0 HA SER A 79 10.728 -7.551 -5.552 1.00 10.00 H new ATOM 0 HB2 SER A 79 9.272 -6.641 -3.040 1.00 10.00 H new ATOM 0 HB3 SER A 79 9.161 -5.959 -4.651 1.00 10.00 H new ATOM 0 HG SER A 79 8.259 -8.005 -5.363 1.00 10.00 H new TER 1152 SER A 79 HETATM 1153 ZN ZN A 80 1.813 -14.216 5.191 1.00 10.00 ZN HETATM 1154 ZN ZN A 81 -10.544 -27.510 3.510 1.00 10.00 ZN