USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 562 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 GLN : amide:sc= 0.775 K(o=3.8,f=-5.7!) USER MOD Set 1.2: A 41 GLN : amide:sc= 2.26 K(o=3.8,f=-4.8!) USER MOD Set 1.3: A 50 GLN : amide:sc= 0.784 K(o=3.8,f=-6.1!) USER MOD Set 2.1: A 33 THR OG1 : rot 155:sc= 1.17 USER MOD Set 2.2: A 55 HIS : no HD1:sc= 0.884 K(o=2.1,f=-5.4!) USER MOD Set 3.1: A 23 LYS NZ :NH3+ -175:sc= 1.03 (180deg=1.01) USER MOD Set 3.2: A 26 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 1 GLY N :NH3+ -159:sc= 0.356 (180deg=-0.0157) USER MOD Set 4.2: A 3 THR OG1 : rot 180:sc= 0.498 USER MOD Set 4.3: A 4 LYS NZ :NH3+ -172:sc= -0.331 (180deg=-0.1) USER MOD Single : A 10 THR OG1 : rot 68:sc= 1.14 USER MOD Single : A 18 HIS : no HE2:sc= 0.724 K(o=0.72,f=-3.4!) USER MOD Single : A 20 SER OG : rot -52:sc= 1.34 USER MOD Single : A 27 GLN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 29 GLN : amide:sc= 0.845 K(o=0.84,f=-0.1) USER MOD Single : A 30 THR OG1 : rot 101:sc= 0.0725 USER MOD Single : A 35 HIS : no HE2:sc= 1.05 K(o=1,f=-3.7!) USER MOD Single : A 37 SER OG : rot 88:sc= 0.898 USER MOD Single : A 42 MET CE :methyl 164:sc=-0.00103 (180deg=-0.186) USER MOD Single : A 44 GLN : amide:sc= 0.354 K(o=0.35,f=-6.7!) USER MOD Single : A 51 GLN : amide:sc= -0.273 X(o=-0.27,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.00419 USER MOD Single : A 57 GLN : amide:sc= 0.136 K(o=0.14,f=-1) USER MOD Single : A 61 THR OG1 : rot -66:sc= 0.783 USER MOD Single : A 64 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0117) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.291) USER MOD Single : A 71 HIS : no HE2:sc= 0.269 K(o=0.27,f=-2.8!) USER MOD Single : A 73 HIS : no HE2:sc= 0.903 K(o=0.9,f=-3!) USER MOD Single : A 79 SER OG : rot -60:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.912 1.105 -4.507 1.00 10.00 N ATOM 2 CA GLY A 1 21.464 0.056 -3.664 1.00 10.00 C ATOM 3 C GLY A 1 20.688 -1.234 -3.899 1.00 10.00 C ATOM 4 O GLY A 1 21.155 -2.118 -4.613 1.00 10.00 O ATOM 0 H1 GLY A 1 21.618 1.858 -4.631 1.00 10.00 H new ATOM 0 H2 GLY A 1 20.662 0.709 -5.435 1.00 10.00 H new ATOM 0 H3 GLY A 1 20.061 1.499 -4.058 1.00 10.00 H new ATOM 0 HA2 GLY A 1 22.519 -0.093 -3.892 1.00 10.00 H new ATOM 0 HA3 GLY A 1 21.403 0.346 -2.615 1.00 10.00 H new ATOM 8 N VAL A 2 19.468 -1.310 -3.361 1.00 10.00 N ATOM 9 CA VAL A 2 18.567 -2.442 -3.572 1.00 10.00 C ATOM 10 C VAL A 2 18.385 -2.668 -5.080 1.00 10.00 C ATOM 11 O VAL A 2 18.294 -3.800 -5.545 1.00 10.00 O ATOM 12 CB VAL A 2 17.230 -2.187 -2.851 1.00 10.00 C ATOM 13 CG1 VAL A 2 16.259 -3.360 -3.045 1.00 10.00 C ATOM 14 CG2 VAL A 2 17.452 -1.996 -1.343 1.00 10.00 C ATOM 0 H VAL A 2 19.077 -0.582 -2.763 1.00 10.00 H new ATOM 0 HA VAL A 2 18.992 -3.352 -3.148 1.00 10.00 H new ATOM 0 HB VAL A 2 16.803 -1.283 -3.286 1.00 10.00 H new ATOM 0 HG11 VAL A 2 15.325 -3.149 -2.524 1.00 10.00 H new ATOM 0 HG12 VAL A 2 16.059 -3.495 -4.108 1.00 10.00 H new ATOM 0 HG13 VAL A 2 16.702 -4.270 -2.641 1.00 10.00 H new ATOM 0 HG21 VAL A 2 16.494 -1.817 -0.854 1.00 10.00 H new ATOM 0 HG22 VAL A 2 17.910 -2.893 -0.926 1.00 10.00 H new ATOM 0 HG23 VAL A 2 18.109 -1.142 -1.177 1.00 10.00 H new ATOM 24 N THR A 3 18.382 -1.570 -5.837 1.00 10.00 N ATOM 25 CA THR A 3 18.296 -1.512 -7.282 1.00 10.00 C ATOM 26 C THR A 3 19.497 -2.180 -7.964 1.00 10.00 C ATOM 27 O THR A 3 19.357 -2.736 -9.050 1.00 10.00 O ATOM 28 CB THR A 3 18.242 -0.020 -7.640 1.00 10.00 C ATOM 29 OG1 THR A 3 19.127 0.698 -6.786 1.00 10.00 O ATOM 30 CG2 THR A 3 16.828 0.528 -7.430 1.00 10.00 C ATOM 0 H THR A 3 18.444 -0.641 -5.422 1.00 10.00 H new ATOM 0 HA THR A 3 17.416 -2.053 -7.631 1.00 10.00 H new ATOM 0 HB THR A 3 18.530 0.098 -8.685 1.00 10.00 H new ATOM 0 HG1 THR A 3 19.098 1.651 -7.012 1.00 10.00 H new ATOM 0 HG21 THR A 3 16.806 1.587 -7.688 1.00 10.00 H new ATOM 0 HG22 THR A 3 16.129 -0.015 -8.066 1.00 10.00 H new ATOM 0 HG23 THR A 3 16.541 0.403 -6.386 1.00 10.00 H new ATOM 38 N LYS A 4 20.679 -2.104 -7.344 1.00 10.00 N ATOM 39 CA LYS A 4 21.917 -2.671 -7.862 1.00 10.00 C ATOM 40 C LYS A 4 22.012 -4.142 -7.456 1.00 10.00 C ATOM 41 O LYS A 4 22.426 -4.990 -8.242 1.00 10.00 O ATOM 42 CB LYS A 4 23.116 -1.878 -7.322 1.00 10.00 C ATOM 43 CG LYS A 4 22.991 -0.374 -7.606 1.00 10.00 C ATOM 44 CD LYS A 4 24.230 0.360 -7.077 1.00 10.00 C ATOM 45 CE LYS A 4 24.144 1.872 -7.319 1.00 10.00 C ATOM 46 NZ LYS A 4 23.032 2.488 -6.572 1.00 10.00 N ATOM 0 H LYS A 4 20.799 -1.634 -6.447 1.00 10.00 H new ATOM 0 HA LYS A 4 21.925 -2.608 -8.950 1.00 10.00 H new ATOM 0 HB2 LYS A 4 23.201 -2.037 -6.247 1.00 10.00 H new ATOM 0 HB3 LYS A 4 24.033 -2.256 -7.774 1.00 10.00 H new ATOM 0 HG2 LYS A 4 22.887 -0.204 -8.678 1.00 10.00 H new ATOM 0 HG3 LYS A 4 22.093 0.021 -7.132 1.00 10.00 H new ATOM 0 HD2 LYS A 4 24.337 0.169 -6.009 1.00 10.00 H new ATOM 0 HD3 LYS A 4 25.122 -0.036 -7.563 1.00 10.00 H new ATOM 0 HE2 LYS A 4 25.083 2.341 -7.024 1.00 10.00 H new ATOM 0 HE3 LYS A 4 24.014 2.062 -8.384 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 22.924 3.480 -6.866 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 22.152 1.970 -6.770 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 23.235 2.449 -5.553 1.00 10.00 H new ATOM 60 N GLU A 5 21.629 -4.431 -6.209 1.00 10.00 N ATOM 61 CA GLU A 5 21.614 -5.773 -5.654 1.00 10.00 C ATOM 62 C GLU A 5 20.738 -6.680 -6.530 1.00 10.00 C ATOM 63 O GLU A 5 19.742 -6.240 -7.102 1.00 10.00 O ATOM 64 CB GLU A 5 21.096 -5.698 -4.213 1.00 10.00 C ATOM 65 CG GLU A 5 22.079 -4.979 -3.273 1.00 10.00 C ATOM 66 CD GLU A 5 21.384 -4.421 -2.032 1.00 10.00 C ATOM 67 OE1 GLU A 5 20.504 -5.130 -1.494 1.00 10.00 O ATOM 68 OE2 GLU A 5 21.734 -3.284 -1.646 1.00 10.00 O ATOM 0 H GLU A 5 21.316 -3.719 -5.550 1.00 10.00 H new ATOM 0 HA GLU A 5 22.617 -6.200 -5.640 1.00 10.00 H new ATOM 0 HB2 GLU A 5 20.139 -5.177 -4.201 1.00 10.00 H new ATOM 0 HB3 GLU A 5 20.915 -6.707 -3.842 1.00 10.00 H new ATOM 0 HG2 GLU A 5 22.862 -5.673 -2.968 1.00 10.00 H new ATOM 0 HG3 GLU A 5 22.566 -4.166 -3.812 1.00 10.00 H new ATOM 75 N ILE A 6 21.114 -7.956 -6.651 1.00 10.00 N ATOM 76 CA ILE A 6 20.428 -8.927 -7.496 1.00 10.00 C ATOM 77 C ILE A 6 19.053 -9.338 -6.945 1.00 10.00 C ATOM 78 O ILE A 6 18.836 -10.497 -6.586 1.00 10.00 O ATOM 79 CB ILE A 6 21.351 -10.133 -7.774 1.00 10.00 C ATOM 80 CG1 ILE A 6 21.927 -10.751 -6.484 1.00 10.00 C ATOM 81 CG2 ILE A 6 22.490 -9.703 -8.711 1.00 10.00 C ATOM 82 CD1 ILE A 6 22.412 -12.187 -6.704 1.00 10.00 C ATOM 0 H ILE A 6 21.916 -8.346 -6.156 1.00 10.00 H new ATOM 0 HA ILE A 6 20.209 -8.445 -8.449 1.00 10.00 H new ATOM 0 HB ILE A 6 20.746 -10.905 -8.250 1.00 10.00 H new ATOM 0 HG12 ILE A 6 22.755 -10.139 -6.127 1.00 10.00 H new ATOM 0 HG13 ILE A 6 21.165 -10.741 -5.705 1.00 10.00 H new ATOM 0 HG21 ILE A 6 23.141 -10.555 -8.907 1.00 10.00 H new ATOM 0 HG22 ILE A 6 22.072 -9.343 -9.651 1.00 10.00 H new ATOM 0 HG23 ILE A 6 23.066 -8.906 -8.241 1.00 10.00 H new ATOM 0 HD11 ILE A 6 22.810 -12.584 -5.770 1.00 10.00 H new ATOM 0 HD12 ILE A 6 21.578 -12.806 -7.035 1.00 10.00 H new ATOM 0 HD13 ILE A 6 23.194 -12.195 -7.464 1.00 10.00 H new ATOM 94 N ARG A 7 18.097 -8.406 -6.901 1.00 10.00 N ATOM 95 CA ARG A 7 16.731 -8.653 -6.443 1.00 10.00 C ATOM 96 C ARG A 7 15.928 -9.333 -7.559 1.00 10.00 C ATOM 97 O ARG A 7 14.884 -8.848 -7.992 1.00 10.00 O ATOM 98 CB ARG A 7 16.091 -7.354 -5.923 1.00 10.00 C ATOM 99 CG ARG A 7 16.416 -7.097 -4.444 1.00 10.00 C ATOM 100 CD ARG A 7 17.923 -7.114 -4.174 1.00 10.00 C ATOM 101 NE ARG A 7 18.265 -6.715 -2.805 1.00 10.00 N ATOM 102 CZ ARG A 7 18.157 -7.484 -1.713 1.00 10.00 C ATOM 103 NH1 ARG A 7 17.540 -8.670 -1.762 1.00 10.00 N ATOM 104 NH2 ARG A 7 18.692 -7.048 -0.571 1.00 10.00 N ATOM 0 H ARG A 7 18.256 -7.440 -7.189 1.00 10.00 H new ATOM 0 HA ARG A 7 16.737 -9.339 -5.596 1.00 10.00 H new ATOM 0 HB2 ARG A 7 16.442 -6.513 -6.521 1.00 10.00 H new ATOM 0 HB3 ARG A 7 15.010 -7.407 -6.051 1.00 10.00 H new ATOM 0 HG2 ARG A 7 16.006 -6.132 -4.145 1.00 10.00 H new ATOM 0 HG3 ARG A 7 15.929 -7.854 -3.829 1.00 10.00 H new ATOM 0 HD2 ARG A 7 18.309 -8.116 -4.361 1.00 10.00 H new ATOM 0 HD3 ARG A 7 18.420 -6.445 -4.876 1.00 10.00 H new ATOM 0 HE ARG A 7 18.617 -5.767 -2.672 1.00 10.00 H new ATOM 0 HH11 ARG A 7 17.142 -9.002 -2.641 1.00 10.00 H new ATOM 0 HH12 ARG A 7 17.467 -9.242 -0.921 1.00 10.00 H new ATOM 0 HH21 ARG A 7 19.170 -6.147 -0.543 1.00 10.00 H new ATOM 0 HH22 ARG A 7 18.623 -7.615 0.274 1.00 10.00 H new ATOM 118 N ILE A 8 16.429 -10.479 -8.026 1.00 10.00 N ATOM 119 CA ILE A 8 15.775 -11.270 -9.054 1.00 10.00 C ATOM 120 C ILE A 8 14.512 -11.912 -8.460 1.00 10.00 C ATOM 121 O ILE A 8 14.602 -12.486 -7.373 1.00 10.00 O ATOM 122 CB ILE A 8 16.741 -12.312 -9.657 1.00 10.00 C ATOM 123 CG1 ILE A 8 17.455 -13.171 -8.599 1.00 10.00 C ATOM 124 CG2 ILE A 8 17.769 -11.594 -10.545 1.00 10.00 C ATOM 125 CD1 ILE A 8 18.181 -14.377 -9.205 1.00 10.00 C ATOM 0 H ILE A 8 17.306 -10.881 -7.695 1.00 10.00 H new ATOM 0 HA ILE A 8 15.477 -10.626 -9.881 1.00 10.00 H new ATOM 0 HB ILE A 8 16.141 -13.003 -10.249 1.00 10.00 H new ATOM 0 HG12 ILE A 8 18.173 -12.553 -8.060 1.00 10.00 H new ATOM 0 HG13 ILE A 8 16.725 -13.521 -7.869 1.00 10.00 H new ATOM 0 HG21 ILE A 8 18.454 -12.326 -10.973 1.00 10.00 H new ATOM 0 HG22 ILE A 8 17.252 -11.068 -11.347 1.00 10.00 H new ATOM 0 HG23 ILE A 8 18.331 -10.879 -9.945 1.00 10.00 H new ATOM 0 HD11 ILE A 8 18.666 -14.946 -8.412 1.00 10.00 H new ATOM 0 HD12 ILE A 8 17.462 -15.014 -9.720 1.00 10.00 H new ATOM 0 HD13 ILE A 8 18.932 -14.031 -9.915 1.00 10.00 H new ATOM 137 N PRO A 9 13.351 -11.835 -9.140 1.00 10.00 N ATOM 138 CA PRO A 9 12.101 -12.437 -8.694 1.00 10.00 C ATOM 139 C PRO A 9 12.273 -13.877 -8.204 1.00 10.00 C ATOM 140 O PRO A 9 12.396 -14.798 -9.008 1.00 10.00 O ATOM 141 CB PRO A 9 11.164 -12.375 -9.905 1.00 10.00 C ATOM 142 CG PRO A 9 11.628 -11.114 -10.624 1.00 10.00 C ATOM 143 CD PRO A 9 13.141 -11.150 -10.410 1.00 10.00 C ATOM 0 HA PRO A 9 11.704 -11.897 -7.834 1.00 10.00 H new ATOM 0 HB2 PRO A 9 11.259 -13.259 -10.536 1.00 10.00 H new ATOM 0 HB3 PRO A 9 10.118 -12.308 -9.605 1.00 10.00 H new ATOM 0 HG2 PRO A 9 11.367 -11.131 -11.682 1.00 10.00 H new ATOM 0 HG3 PRO A 9 11.179 -10.216 -10.199 1.00 10.00 H new ATOM 0 HD2 PRO A 9 13.638 -11.677 -11.224 1.00 10.00 H new ATOM 0 HD3 PRO A 9 13.555 -10.142 -10.383 1.00 10.00 H new ATOM 151 N THR A 10 12.271 -14.069 -6.884 1.00 10.00 N ATOM 152 CA THR A 10 12.401 -15.371 -6.250 1.00 10.00 C ATOM 153 C THR A 10 11.333 -15.436 -5.164 1.00 10.00 C ATOM 154 O THR A 10 11.224 -14.504 -4.370 1.00 10.00 O ATOM 155 CB THR A 10 13.813 -15.534 -5.667 1.00 10.00 C ATOM 156 OG1 THR A 10 14.793 -15.132 -6.602 1.00 10.00 O ATOM 157 CG2 THR A 10 14.088 -16.997 -5.324 1.00 10.00 C ATOM 0 H THR A 10 12.177 -13.304 -6.216 1.00 10.00 H new ATOM 0 HA THR A 10 12.261 -16.183 -6.963 1.00 10.00 H new ATOM 0 HB THR A 10 13.863 -14.913 -4.773 1.00 10.00 H new ATOM 0 HG1 THR A 10 14.732 -14.164 -6.744 1.00 10.00 H new ATOM 0 HG21 THR A 10 15.093 -17.092 -4.913 1.00 10.00 H new ATOM 0 HG22 THR A 10 13.361 -17.341 -4.589 1.00 10.00 H new ATOM 0 HG23 THR A 10 14.007 -17.604 -6.226 1.00 10.00 H new ATOM 165 N LEU A 11 10.527 -16.497 -5.133 1.00 10.00 N ATOM 166 CA LEU A 11 9.468 -16.629 -4.144 1.00 10.00 C ATOM 167 C LEU A 11 10.070 -17.024 -2.795 1.00 10.00 C ATOM 168 O LEU A 11 10.947 -17.884 -2.745 1.00 10.00 O ATOM 169 CB LEU A 11 8.421 -17.642 -4.621 1.00 10.00 C ATOM 170 CG LEU A 11 7.812 -17.279 -5.987 1.00 10.00 C ATOM 171 CD1 LEU A 11 6.753 -18.317 -6.370 1.00 10.00 C ATOM 172 CD2 LEU A 11 7.193 -15.874 -5.982 1.00 10.00 C ATOM 0 H LEU A 11 10.591 -17.278 -5.786 1.00 10.00 H new ATOM 0 HA LEU A 11 8.961 -15.672 -4.018 1.00 10.00 H new ATOM 0 HB2 LEU A 11 8.880 -18.628 -4.685 1.00 10.00 H new ATOM 0 HB3 LEU A 11 7.624 -17.709 -3.880 1.00 10.00 H new ATOM 0 HG LEU A 11 8.615 -17.281 -6.724 1.00 10.00 H new ATOM 0 HD11 LEU A 11 6.323 -18.058 -7.338 1.00 10.00 H new ATOM 0 HD12 LEU A 11 7.215 -19.303 -6.430 1.00 10.00 H new ATOM 0 HD13 LEU A 11 5.967 -18.330 -5.615 1.00 10.00 H new ATOM 0 HD21 LEU A 11 6.774 -15.657 -6.965 1.00 10.00 H new ATOM 0 HD22 LEU A 11 6.403 -15.827 -5.233 1.00 10.00 H new ATOM 0 HD23 LEU A 11 7.962 -15.139 -5.745 1.00 10.00 H new ATOM 184 N GLU A 12 9.607 -16.391 -1.713 1.00 10.00 N ATOM 185 CA GLU A 12 10.064 -16.636 -0.352 1.00 10.00 C ATOM 186 C GLU A 12 8.836 -16.751 0.548 1.00 10.00 C ATOM 187 O GLU A 12 7.836 -16.073 0.306 1.00 10.00 O ATOM 188 CB GLU A 12 10.958 -15.479 0.112 1.00 10.00 C ATOM 189 CG GLU A 12 12.181 -15.299 -0.799 1.00 10.00 C ATOM 190 CD GLU A 12 13.121 -14.220 -0.271 1.00 10.00 C ATOM 191 OE1 GLU A 12 12.638 -13.080 -0.102 1.00 10.00 O ATOM 192 OE2 GLU A 12 14.306 -14.550 -0.055 1.00 10.00 O ATOM 0 H GLU A 12 8.883 -15.674 -1.767 1.00 10.00 H new ATOM 0 HA GLU A 12 10.646 -17.557 -0.306 1.00 10.00 H new ATOM 0 HB2 GLU A 12 10.378 -14.556 0.128 1.00 10.00 H new ATOM 0 HB3 GLU A 12 11.290 -15.664 1.133 1.00 10.00 H new ATOM 0 HG2 GLU A 12 12.719 -16.244 -0.878 1.00 10.00 H new ATOM 0 HG3 GLU A 12 11.851 -15.035 -1.804 1.00 10.00 H new ATOM 199 N GLU A 13 8.897 -17.597 1.581 1.00 10.00 N ATOM 200 CA GLU A 13 7.775 -17.751 2.494 1.00 10.00 C ATOM 201 C GLU A 13 7.605 -16.472 3.312 1.00 10.00 C ATOM 202 O GLU A 13 8.587 -15.832 3.694 1.00 10.00 O ATOM 203 CB GLU A 13 7.938 -18.994 3.385 1.00 10.00 C ATOM 204 CG GLU A 13 8.859 -18.790 4.598 1.00 10.00 C ATOM 205 CD GLU A 13 8.947 -20.059 5.438 1.00 10.00 C ATOM 206 OE1 GLU A 13 9.735 -20.946 5.046 1.00 10.00 O ATOM 207 OE2 GLU A 13 8.214 -20.117 6.449 1.00 10.00 O ATOM 0 H GLU A 13 9.706 -18.178 1.800 1.00 10.00 H new ATOM 0 HA GLU A 13 6.865 -17.911 1.915 1.00 10.00 H new ATOM 0 HB2 GLU A 13 6.955 -19.304 3.739 1.00 10.00 H new ATOM 0 HB3 GLU A 13 8.331 -19.811 2.780 1.00 10.00 H new ATOM 0 HG2 GLU A 13 9.855 -18.505 4.259 1.00 10.00 H new ATOM 0 HG3 GLU A 13 8.484 -17.970 5.210 1.00 10.00 H new ATOM 214 N CYS A 14 6.363 -16.103 3.612 1.00 10.00 N ATOM 215 CA CYS A 14 6.096 -14.934 4.422 1.00 10.00 C ATOM 216 C CYS A 14 6.288 -15.314 5.891 1.00 10.00 C ATOM 217 O CYS A 14 5.357 -15.774 6.556 1.00 10.00 O ATOM 218 CB CYS A 14 4.689 -14.426 4.134 1.00 10.00 C ATOM 219 SG CYS A 14 4.303 -12.879 4.984 1.00 10.00 S ATOM 0 H CYS A 14 5.529 -16.602 3.303 1.00 10.00 H new ATOM 0 HA CYS A 14 6.784 -14.123 4.185 1.00 10.00 H new ATOM 0 HB2 CYS A 14 4.575 -14.281 3.060 1.00 10.00 H new ATOM 0 HB3 CYS A 14 3.967 -15.187 4.432 1.00 10.00 H new ATOM 224 N ASP A 15 7.511 -15.122 6.393 1.00 10.00 N ATOM 225 CA ASP A 15 7.918 -15.412 7.767 1.00 10.00 C ATOM 226 C ASP A 15 6.908 -14.875 8.785 1.00 10.00 C ATOM 227 O ASP A 15 6.610 -15.543 9.774 1.00 10.00 O ATOM 228 CB ASP A 15 9.325 -14.854 8.035 1.00 10.00 C ATOM 229 CG ASP A 15 9.352 -13.328 8.107 1.00 10.00 C ATOM 230 OD1 ASP A 15 8.914 -12.705 7.114 1.00 10.00 O ATOM 231 OD2 ASP A 15 9.782 -12.813 9.160 1.00 10.00 O ATOM 0 H ASP A 15 8.273 -14.745 5.830 1.00 10.00 H new ATOM 0 HA ASP A 15 7.945 -16.495 7.886 1.00 10.00 H new ATOM 0 HB2 ASP A 15 9.701 -15.264 8.972 1.00 10.00 H new ATOM 0 HB3 ASP A 15 10.000 -15.188 7.247 1.00 10.00 H new ATOM 236 N VAL A 16 6.360 -13.687 8.520 1.00 10.00 N ATOM 237 CA VAL A 16 5.348 -13.023 9.334 1.00 10.00 C ATOM 238 C VAL A 16 4.187 -13.972 9.663 1.00 10.00 C ATOM 239 O VAL A 16 3.754 -14.024 10.812 1.00 10.00 O ATOM 240 CB VAL A 16 4.900 -11.741 8.608 1.00 10.00 C ATOM 241 CG1 VAL A 16 3.769 -11.013 9.335 1.00 10.00 C ATOM 242 CG2 VAL A 16 6.078 -10.766 8.476 1.00 10.00 C ATOM 0 H VAL A 16 6.622 -13.142 7.699 1.00 10.00 H new ATOM 0 HA VAL A 16 5.766 -12.738 10.299 1.00 10.00 H new ATOM 0 HB VAL A 16 4.538 -12.058 7.630 1.00 10.00 H new ATOM 0 HG11 VAL A 16 3.495 -10.117 8.777 1.00 10.00 H new ATOM 0 HG12 VAL A 16 2.904 -11.671 9.413 1.00 10.00 H new ATOM 0 HG13 VAL A 16 4.101 -10.731 10.334 1.00 10.00 H new ATOM 0 HG21 VAL A 16 5.748 -9.864 7.961 1.00 10.00 H new ATOM 0 HG22 VAL A 16 6.446 -10.503 9.468 1.00 10.00 H new ATOM 0 HG23 VAL A 16 6.878 -11.237 7.905 1.00 10.00 H new ATOM 252 N CYS A 17 3.717 -14.754 8.686 1.00 10.00 N ATOM 253 CA CYS A 17 2.666 -15.748 8.899 1.00 10.00 C ATOM 254 C CYS A 17 3.242 -17.164 8.843 1.00 10.00 C ATOM 255 O CYS A 17 2.514 -18.129 8.610 1.00 10.00 O ATOM 256 CB CYS A 17 1.544 -15.560 7.883 1.00 10.00 C ATOM 257 SG CYS A 17 2.024 -15.627 6.154 1.00 10.00 S ATOM 0 H CYS A 17 4.056 -14.714 7.725 1.00 10.00 H new ATOM 0 HA CYS A 17 2.244 -15.604 9.894 1.00 10.00 H new ATOM 0 HB2 CYS A 17 0.789 -16.327 8.059 1.00 10.00 H new ATOM 0 HB3 CYS A 17 1.070 -14.597 8.070 1.00 10.00 H new ATOM 262 N HIS A 18 4.555 -17.293 9.036 1.00 10.00 N ATOM 263 CA HIS A 18 5.278 -18.552 9.051 1.00 10.00 C ATOM 264 C HIS A 18 4.973 -19.349 7.780 1.00 10.00 C ATOM 265 O HIS A 18 4.813 -20.565 7.813 1.00 10.00 O ATOM 266 CB HIS A 18 4.946 -19.311 10.343 1.00 10.00 C ATOM 267 CG HIS A 18 4.972 -18.464 11.599 1.00 10.00 C ATOM 268 ND1 HIS A 18 5.620 -17.257 11.767 1.00 10.00 N ATOM 269 CD2 HIS A 18 4.227 -18.686 12.726 1.00 10.00 C ATOM 270 CE1 HIS A 18 5.270 -16.771 12.969 1.00 10.00 C ATOM 271 NE2 HIS A 18 4.424 -17.606 13.594 1.00 10.00 N ATOM 0 H HIS A 18 5.162 -16.488 9.192 1.00 10.00 H new ATOM 0 HA HIS A 18 6.354 -18.378 9.050 1.00 10.00 H new ATOM 0 HB2 HIS A 18 3.957 -19.757 10.242 1.00 10.00 H new ATOM 0 HB3 HIS A 18 5.655 -20.131 10.459 1.00 10.00 H new ATOM 0 HD1 HIS A 18 6.251 -16.814 11.099 1.00 10.00 H new ATOM 0 HD2 HIS A 18 3.598 -19.544 12.912 1.00 10.00 H new ATOM 0 HE1 HIS A 18 5.621 -15.835 13.378 1.00 10.00 H new ATOM 279 N GLY A 19 4.868 -18.638 6.653 1.00 10.00 N ATOM 280 CA GLY A 19 4.591 -19.239 5.363 1.00 10.00 C ATOM 281 C GLY A 19 3.141 -19.688 5.151 1.00 10.00 C ATOM 282 O GLY A 19 2.829 -20.161 4.061 1.00 10.00 O ATOM 0 H GLY A 19 4.975 -17.624 6.620 1.00 10.00 H new ATOM 0 HA2 GLY A 19 4.851 -18.523 4.583 1.00 10.00 H new ATOM 0 HA3 GLY A 19 5.244 -20.102 5.234 1.00 10.00 H new ATOM 286 N SER A 20 2.248 -19.571 6.144 1.00 10.00 N ATOM 287 CA SER A 20 0.874 -20.039 5.975 1.00 10.00 C ATOM 288 C SER A 20 0.046 -19.050 5.156 1.00 10.00 C ATOM 289 O SER A 20 -0.292 -19.295 4.001 1.00 10.00 O ATOM 290 CB SER A 20 0.222 -20.340 7.334 1.00 10.00 C ATOM 291 OG SER A 20 0.063 -19.184 8.142 1.00 10.00 O ATOM 0 H SER A 20 2.452 -19.163 7.056 1.00 10.00 H new ATOM 0 HA SER A 20 0.905 -20.973 5.414 1.00 10.00 H new ATOM 0 HB2 SER A 20 -0.753 -20.798 7.169 1.00 10.00 H new ATOM 0 HB3 SER A 20 0.830 -21.069 7.869 1.00 10.00 H new ATOM 0 HG SER A 20 0.921 -18.717 8.218 1.00 10.00 H new ATOM 297 N GLY A 21 -0.316 -17.939 5.791 1.00 10.00 N ATOM 298 CA GLY A 21 -1.145 -16.896 5.219 1.00 10.00 C ATOM 299 C GLY A 21 -1.973 -16.180 6.284 1.00 10.00 C ATOM 300 O GLY A 21 -2.456 -15.087 6.020 1.00 10.00 O ATOM 0 H GLY A 21 -0.028 -17.739 6.749 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -0.514 -16.173 4.702 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -1.810 -17.329 4.472 1.00 10.00 H new ATOM 304 N ALA A 22 -2.157 -16.756 7.478 1.00 10.00 N ATOM 305 CA ALA A 22 -2.927 -16.103 8.535 1.00 10.00 C ATOM 306 C ALA A 22 -2.027 -15.126 9.297 1.00 10.00 C ATOM 307 O ALA A 22 -0.853 -15.422 9.502 1.00 10.00 O ATOM 308 CB ALA A 22 -3.520 -17.157 9.467 1.00 10.00 C ATOM 0 H ALA A 22 -1.783 -17.670 7.733 1.00 10.00 H new ATOM 0 HA ALA A 22 -3.750 -15.537 8.099 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -4.093 -16.666 10.254 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -4.175 -17.818 8.899 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.716 -17.741 9.915 1.00 10.00 H new ATOM 314 N LYS A 23 -2.541 -13.953 9.682 1.00 10.00 N ATOM 315 CA LYS A 23 -1.750 -12.930 10.371 1.00 10.00 C ATOM 316 C LYS A 23 -1.012 -13.474 11.618 1.00 10.00 C ATOM 317 O LYS A 23 -1.412 -14.505 12.159 1.00 10.00 O ATOM 318 CB LYS A 23 -2.618 -11.676 10.607 1.00 10.00 C ATOM 319 CG LYS A 23 -3.849 -11.865 11.503 1.00 10.00 C ATOM 320 CD LYS A 23 -3.589 -12.012 13.010 1.00 10.00 C ATOM 321 CE LYS A 23 -2.895 -10.803 13.645 1.00 10.00 C ATOM 322 NZ LYS A 23 -2.679 -11.024 15.085 1.00 10.00 N ATOM 0 H LYS A 23 -3.513 -13.687 9.525 1.00 10.00 H new ATOM 0 HA LYS A 23 -0.927 -12.618 9.728 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -1.989 -10.902 11.047 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -2.953 -11.303 9.639 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -4.513 -11.013 11.354 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -4.385 -12.751 11.162 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -4.539 -12.180 13.517 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -2.977 -12.898 13.178 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -1.939 -10.626 13.152 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -3.501 -9.910 13.496 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -2.285 -10.162 15.513 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -3.585 -11.254 15.541 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -2.014 -11.812 15.219 1.00 10.00 H new ATOM 336 N PRO A 24 0.075 -12.816 12.074 1.00 10.00 N ATOM 337 CA PRO A 24 0.897 -13.251 13.200 1.00 10.00 C ATOM 338 C PRO A 24 0.123 -13.790 14.407 1.00 10.00 C ATOM 339 O PRO A 24 -0.869 -13.200 14.833 1.00 10.00 O ATOM 340 CB PRO A 24 1.712 -12.023 13.605 1.00 10.00 C ATOM 341 CG PRO A 24 1.962 -11.364 12.255 1.00 10.00 C ATOM 342 CD PRO A 24 0.641 -11.592 11.518 1.00 10.00 C ATOM 0 HA PRO A 24 1.503 -14.099 12.881 1.00 10.00 H new ATOM 0 HB2 PRO A 24 1.162 -11.371 14.284 1.00 10.00 H new ATOM 0 HB3 PRO A 24 2.641 -12.295 14.107 1.00 10.00 H new ATOM 0 HG2 PRO A 24 2.190 -10.303 12.359 1.00 10.00 H new ATOM 0 HG3 PRO A 24 2.802 -11.821 11.731 1.00 10.00 H new ATOM 0 HD2 PRO A 24 -0.036 -10.750 11.661 1.00 10.00 H new ATOM 0 HD3 PRO A 24 0.805 -11.691 10.445 1.00 10.00 H new ATOM 350 N GLY A 25 0.600 -14.898 14.984 1.00 10.00 N ATOM 351 CA GLY A 25 0.013 -15.505 16.171 1.00 10.00 C ATOM 352 C GLY A 25 -1.278 -16.260 15.856 1.00 10.00 C ATOM 353 O GLY A 25 -1.368 -17.464 16.097 1.00 10.00 O ATOM 0 H GLY A 25 1.415 -15.400 14.631 1.00 10.00 H new ATOM 0 HA2 GLY A 25 0.732 -16.190 16.620 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -0.192 -14.730 16.909 1.00 10.00 H new ATOM 357 N THR A 26 -2.284 -15.559 15.333 1.00 10.00 N ATOM 358 CA THR A 26 -3.571 -16.144 15.000 1.00 10.00 C ATOM 359 C THR A 26 -3.429 -17.057 13.780 1.00 10.00 C ATOM 360 O THR A 26 -3.744 -16.675 12.657 1.00 10.00 O ATOM 361 CB THR A 26 -4.607 -15.033 14.789 1.00 10.00 C ATOM 362 OG1 THR A 26 -4.428 -14.020 15.762 1.00 10.00 O ATOM 363 CG2 THR A 26 -6.030 -15.589 14.909 1.00 10.00 C ATOM 0 H THR A 26 -2.222 -14.561 15.129 1.00 10.00 H new ATOM 0 HA THR A 26 -3.925 -16.764 15.824 1.00 10.00 H new ATOM 0 HB THR A 26 -4.467 -14.621 13.789 1.00 10.00 H new ATOM 0 HG1 THR A 26 -5.091 -13.312 15.622 1.00 10.00 H new ATOM 0 HG21 THR A 26 -6.749 -14.784 14.756 1.00 10.00 H new ATOM 0 HG22 THR A 26 -6.184 -16.361 14.155 1.00 10.00 H new ATOM 0 HG23 THR A 26 -6.171 -16.017 15.901 1.00 10.00 H new ATOM 371 N GLN A 27 -2.934 -18.274 14.013 1.00 10.00 N ATOM 372 CA GLN A 27 -2.695 -19.269 12.982 1.00 10.00 C ATOM 373 C GLN A 27 -3.978 -19.603 12.199 1.00 10.00 C ATOM 374 O GLN A 27 -5.082 -19.325 12.677 1.00 10.00 O ATOM 375 CB GLN A 27 -2.130 -20.531 13.654 1.00 10.00 C ATOM 376 CG GLN A 27 -3.067 -21.096 14.736 1.00 10.00 C ATOM 377 CD GLN A 27 -2.977 -22.615 14.815 1.00 10.00 C ATOM 378 OE1 GLN A 27 -2.262 -23.159 15.649 1.00 10.00 O ATOM 379 NE2 GLN A 27 -3.701 -23.316 13.947 1.00 10.00 N ATOM 0 H GLN A 27 -2.684 -18.596 14.948 1.00 10.00 H new ATOM 0 HA GLN A 27 -1.982 -18.870 12.260 1.00 10.00 H new ATOM 0 HB2 GLN A 27 -1.955 -21.294 12.896 1.00 10.00 H new ATOM 0 HB3 GLN A 27 -1.164 -20.298 14.101 1.00 10.00 H new ATOM 0 HG2 GLN A 27 -2.810 -20.664 15.703 1.00 10.00 H new ATOM 0 HG3 GLN A 27 -4.094 -20.802 14.519 1.00 10.00 H new ATOM 0 HE21 GLN A 27 -4.286 -22.834 13.265 1.00 10.00 H new ATOM 0 HE22 GLN A 27 -3.671 -24.335 13.964 1.00 10.00 H new ATOM 388 N PRO A 28 -3.864 -20.226 11.012 1.00 10.00 N ATOM 389 CA PRO A 28 -5.028 -20.633 10.245 1.00 10.00 C ATOM 390 C PRO A 28 -5.920 -21.547 11.084 1.00 10.00 C ATOM 391 O PRO A 28 -5.428 -22.231 11.983 1.00 10.00 O ATOM 392 CB PRO A 28 -4.483 -21.397 9.043 1.00 10.00 C ATOM 393 CG PRO A 28 -3.058 -20.881 8.882 1.00 10.00 C ATOM 394 CD PRO A 28 -2.643 -20.628 10.328 1.00 10.00 C ATOM 0 HA PRO A 28 -5.630 -19.776 9.943 1.00 10.00 H new ATOM 0 HB2 PRO A 28 -4.499 -22.473 9.215 1.00 10.00 H new ATOM 0 HB3 PRO A 28 -5.078 -21.208 8.149 1.00 10.00 H new ATOM 0 HG2 PRO A 28 -2.413 -21.612 8.395 1.00 10.00 H new ATOM 0 HG3 PRO A 28 -3.019 -19.972 8.282 1.00 10.00 H new ATOM 0 HD2 PRO A 28 -2.217 -21.525 10.778 1.00 10.00 H new ATOM 0 HD3 PRO A 28 -1.883 -19.849 10.389 1.00 10.00 H new ATOM 402 N GLN A 29 -7.218 -21.573 10.784 1.00 10.00 N ATOM 403 CA GLN A 29 -8.162 -22.393 11.535 1.00 10.00 C ATOM 404 C GLN A 29 -8.427 -23.698 10.783 1.00 10.00 C ATOM 405 O GLN A 29 -8.610 -23.677 9.570 1.00 10.00 O ATOM 406 CB GLN A 29 -9.443 -21.589 11.784 1.00 10.00 C ATOM 407 CG GLN A 29 -9.159 -20.286 12.552 1.00 10.00 C ATOM 408 CD GLN A 29 -8.565 -20.544 13.936 1.00 10.00 C ATOM 409 OE1 GLN A 29 -9.273 -20.981 14.835 1.00 10.00 O ATOM 410 NE2 GLN A 29 -7.274 -20.290 14.136 1.00 10.00 N ATOM 0 H GLN A 29 -7.638 -21.035 10.026 1.00 10.00 H new ATOM 0 HA GLN A 29 -7.746 -22.661 12.506 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -9.916 -21.353 10.830 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -10.150 -22.197 12.348 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -8.471 -19.669 11.974 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -10.085 -19.720 12.656 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -6.702 -19.926 13.374 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -6.857 -20.459 15.051 1.00 10.00 H new ATOM 419 N THR A 30 -8.423 -24.836 11.481 1.00 10.00 N ATOM 420 CA THR A 30 -8.649 -26.151 10.898 1.00 10.00 C ATOM 421 C THR A 30 -9.920 -26.155 10.047 1.00 10.00 C ATOM 422 O THR A 30 -10.983 -25.805 10.553 1.00 10.00 O ATOM 423 CB THR A 30 -8.786 -27.154 12.051 1.00 10.00 C ATOM 424 OG1 THR A 30 -7.842 -26.830 13.056 1.00 10.00 O ATOM 425 CG2 THR A 30 -8.566 -28.592 11.580 1.00 10.00 C ATOM 0 H THR A 30 -8.259 -24.865 12.487 1.00 10.00 H new ATOM 0 HA THR A 30 -7.815 -26.420 10.249 1.00 10.00 H new ATOM 0 HB THR A 30 -9.800 -27.089 12.445 1.00 10.00 H new ATOM 0 HG1 THR A 30 -8.290 -26.348 13.783 1.00 10.00 H new ATOM 0 HG21 THR A 30 -8.671 -29.272 12.425 1.00 10.00 H new ATOM 0 HG22 THR A 30 -9.305 -28.843 10.819 1.00 10.00 H new ATOM 0 HG23 THR A 30 -7.565 -28.688 11.160 1.00 10.00 H new ATOM 433 N CYS A 31 -9.836 -26.551 8.775 1.00 10.00 N ATOM 434 CA CYS A 31 -11.018 -26.589 7.928 1.00 10.00 C ATOM 435 C CYS A 31 -11.962 -27.691 8.419 1.00 10.00 C ATOM 436 O CYS A 31 -11.590 -28.864 8.352 1.00 10.00 O ATOM 437 CB CYS A 31 -10.630 -26.849 6.476 1.00 10.00 C ATOM 438 SG CYS A 31 -12.055 -26.770 5.360 1.00 10.00 S ATOM 0 H CYS A 31 -8.972 -26.845 8.319 1.00 10.00 H new ATOM 0 HA CYS A 31 -11.522 -25.624 7.983 1.00 10.00 H new ATOM 0 HB2 CYS A 31 -9.886 -26.116 6.164 1.00 10.00 H new ATOM 0 HB3 CYS A 31 -10.163 -27.831 6.397 1.00 10.00 H new ATOM 443 N PRO A 32 -13.175 -27.372 8.894 1.00 10.00 N ATOM 444 CA PRO A 32 -14.081 -28.386 9.395 1.00 10.00 C ATOM 445 C PRO A 32 -14.614 -29.252 8.251 1.00 10.00 C ATOM 446 O PRO A 32 -14.799 -30.451 8.435 1.00 10.00 O ATOM 447 CB PRO A 32 -15.171 -27.616 10.140 1.00 10.00 C ATOM 448 CG PRO A 32 -15.237 -26.287 9.390 1.00 10.00 C ATOM 449 CD PRO A 32 -13.778 -26.049 8.995 1.00 10.00 C ATOM 0 HA PRO A 32 -13.597 -29.094 10.067 1.00 10.00 H new ATOM 0 HB2 PRO A 32 -16.126 -28.142 10.112 1.00 10.00 H new ATOM 0 HB3 PRO A 32 -14.916 -27.473 11.190 1.00 10.00 H new ATOM 0 HG2 PRO A 32 -15.888 -26.347 8.518 1.00 10.00 H new ATOM 0 HG3 PRO A 32 -15.622 -25.485 10.020 1.00 10.00 H new ATOM 0 HD2 PRO A 32 -13.711 -25.515 8.047 1.00 10.00 H new ATOM 0 HD3 PRO A 32 -13.265 -25.441 9.740 1.00 10.00 H new ATOM 457 N THR A 33 -14.829 -28.665 7.069 1.00 10.00 N ATOM 458 CA THR A 33 -15.337 -29.326 5.872 1.00 10.00 C ATOM 459 C THR A 33 -14.643 -30.667 5.579 1.00 10.00 C ATOM 460 O THR A 33 -15.300 -31.615 5.159 1.00 10.00 O ATOM 461 CB THR A 33 -15.198 -28.345 4.697 1.00 10.00 C ATOM 462 OG1 THR A 33 -15.422 -27.022 5.157 1.00 10.00 O ATOM 463 CG2 THR A 33 -16.180 -28.659 3.567 1.00 10.00 C ATOM 0 H THR A 33 -14.644 -27.673 6.919 1.00 10.00 H new ATOM 0 HA THR A 33 -16.384 -29.584 6.030 1.00 10.00 H new ATOM 0 HB THR A 33 -14.188 -28.446 4.300 1.00 10.00 H new ATOM 0 HG1 THR A 33 -14.967 -26.388 4.564 1.00 10.00 H new ATOM 0 HG21 THR A 33 -16.046 -27.941 2.758 1.00 10.00 H new ATOM 0 HG22 THR A 33 -15.994 -29.666 3.193 1.00 10.00 H new ATOM 0 HG23 THR A 33 -17.201 -28.595 3.944 1.00 10.00 H new ATOM 471 N CYS A 34 -13.328 -30.745 5.811 1.00 10.00 N ATOM 472 CA CYS A 34 -12.529 -31.959 5.633 1.00 10.00 C ATOM 473 C CYS A 34 -11.888 -32.387 6.961 1.00 10.00 C ATOM 474 O CYS A 34 -10.958 -33.189 6.965 1.00 10.00 O ATOM 475 CB CYS A 34 -11.460 -31.736 4.549 1.00 10.00 C ATOM 476 SG CYS A 34 -10.579 -30.156 4.606 1.00 10.00 S ATOM 0 H CYS A 34 -12.779 -29.948 6.135 1.00 10.00 H new ATOM 0 HA CYS A 34 -13.186 -32.765 5.306 1.00 10.00 H new ATOM 0 HB2 CYS A 34 -10.727 -32.539 4.621 1.00 10.00 H new ATOM 0 HB3 CYS A 34 -11.938 -31.827 3.573 1.00 10.00 H new ATOM 481 N HIS A 35 -12.354 -31.852 8.093 1.00 10.00 N ATOM 482 CA HIS A 35 -11.806 -32.138 9.418 1.00 10.00 C ATOM 483 C HIS A 35 -10.277 -31.969 9.415 1.00 10.00 C ATOM 484 O HIS A 35 -9.553 -32.776 9.988 1.00 10.00 O ATOM 485 CB HIS A 35 -12.212 -33.550 9.879 1.00 10.00 C ATOM 486 CG HIS A 35 -13.688 -33.877 9.827 1.00 10.00 C ATOM 487 ND1 HIS A 35 -14.726 -33.018 9.537 1.00 10.00 N ATOM 488 CD2 HIS A 35 -14.232 -35.115 10.044 1.00 10.00 C ATOM 489 CE1 HIS A 35 -15.864 -33.730 9.576 1.00 10.00 C ATOM 490 NE2 HIS A 35 -15.616 -35.012 9.882 1.00 10.00 N ATOM 0 H HIS A 35 -13.136 -31.197 8.113 1.00 10.00 H new ATOM 0 HA HIS A 35 -12.221 -31.424 10.129 1.00 10.00 H new ATOM 0 HB2 HIS A 35 -11.680 -34.276 9.265 1.00 10.00 H new ATOM 0 HB3 HIS A 35 -11.868 -33.687 10.904 1.00 10.00 H new ATOM 0 HD1 HIS A 35 -14.645 -32.022 9.330 1.00 10.00 H new ATOM 0 HD2 HIS A 35 -13.687 -36.013 10.296 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -16.847 -33.325 9.386 1.00 10.00 H new ATOM 498 N GLY A 36 -9.777 -30.933 8.735 1.00 10.00 N ATOM 499 CA GLY A 36 -8.351 -30.657 8.608 1.00 10.00 C ATOM 500 C GLY A 36 -7.596 -31.607 7.667 1.00 10.00 C ATOM 501 O GLY A 36 -6.427 -31.369 7.379 1.00 10.00 O ATOM 0 H GLY A 36 -10.365 -30.254 8.251 1.00 10.00 H new ATOM 0 HA2 GLY A 36 -8.223 -29.635 8.251 1.00 10.00 H new ATOM 0 HA3 GLY A 36 -7.895 -30.708 9.597 1.00 10.00 H new ATOM 505 N SER A 37 -8.233 -32.678 7.182 1.00 10.00 N ATOM 506 CA SER A 37 -7.616 -33.692 6.332 1.00 10.00 C ATOM 507 C SER A 37 -7.158 -33.148 4.970 1.00 10.00 C ATOM 508 O SER A 37 -6.206 -33.660 4.388 1.00 10.00 O ATOM 509 CB SER A 37 -8.587 -34.866 6.175 1.00 10.00 C ATOM 510 OG SER A 37 -9.166 -35.210 7.420 1.00 10.00 O ATOM 0 H SER A 37 -9.217 -32.865 7.377 1.00 10.00 H new ATOM 0 HA SER A 37 -6.703 -34.031 6.821 1.00 10.00 H new ATOM 0 HB2 SER A 37 -9.371 -34.603 5.465 1.00 10.00 H new ATOM 0 HB3 SER A 37 -8.060 -35.727 5.764 1.00 10.00 H new ATOM 0 HG SER A 37 -9.973 -34.673 7.565 1.00 10.00 H new ATOM 516 N GLY A 38 -7.827 -32.103 4.472 1.00 10.00 N ATOM 517 CA GLY A 38 -7.489 -31.423 3.223 1.00 10.00 C ATOM 518 C GLY A 38 -8.355 -31.818 2.022 1.00 10.00 C ATOM 519 O GLY A 38 -8.382 -31.091 1.027 1.00 10.00 O ATOM 0 H GLY A 38 -8.638 -31.699 4.940 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -7.574 -30.347 3.377 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -6.446 -31.629 2.984 1.00 10.00 H new ATOM 523 N GLN A 39 -9.079 -32.937 2.088 1.00 10.00 N ATOM 524 CA GLN A 39 -9.920 -33.419 1.001 1.00 10.00 C ATOM 525 C GLN A 39 -11.311 -33.771 1.519 1.00 10.00 C ATOM 526 O GLN A 39 -11.471 -34.234 2.645 1.00 10.00 O ATOM 527 CB GLN A 39 -9.260 -34.584 0.229 1.00 10.00 C ATOM 528 CG GLN A 39 -8.264 -35.449 1.015 1.00 10.00 C ATOM 529 CD GLN A 39 -8.866 -36.030 2.286 1.00 10.00 C ATOM 530 OE1 GLN A 39 -8.793 -35.404 3.336 1.00 10.00 O ATOM 531 NE2 GLN A 39 -9.448 -37.223 2.222 1.00 10.00 N ATOM 0 H GLN A 39 -9.095 -33.539 2.911 1.00 10.00 H new ATOM 0 HA GLN A 39 -10.034 -32.612 0.277 1.00 10.00 H new ATOM 0 HB2 GLN A 39 -10.050 -35.232 -0.151 1.00 10.00 H new ATOM 0 HB3 GLN A 39 -8.743 -34.170 -0.637 1.00 10.00 H new ATOM 0 HG2 GLN A 39 -7.914 -36.262 0.379 1.00 10.00 H new ATOM 0 HG3 GLN A 39 -7.392 -34.848 1.273 1.00 10.00 H new ATOM 0 HE21 GLN A 39 -9.494 -37.721 1.333 1.00 10.00 H new ATOM 0 HE22 GLN A 39 -9.849 -37.641 3.062 1.00 10.00 H new ATOM 540 N VAL A 40 -12.310 -33.555 0.667 1.00 10.00 N ATOM 541 CA VAL A 40 -13.704 -33.877 0.911 1.00 10.00 C ATOM 542 C VAL A 40 -13.970 -35.235 0.272 1.00 10.00 C ATOM 543 O VAL A 40 -13.290 -35.598 -0.689 1.00 10.00 O ATOM 544 CB VAL A 40 -14.626 -32.818 0.278 1.00 10.00 C ATOM 545 CG1 VAL A 40 -14.667 -31.538 1.109 1.00 10.00 C ATOM 546 CG2 VAL A 40 -14.230 -32.465 -1.162 1.00 10.00 C ATOM 0 H VAL A 40 -12.159 -33.133 -0.249 1.00 10.00 H new ATOM 0 HA VAL A 40 -13.905 -33.897 1.982 1.00 10.00 H new ATOM 0 HB VAL A 40 -15.616 -33.273 0.258 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -15.328 -30.815 0.631 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -15.040 -31.765 2.108 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -13.663 -31.120 1.182 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -14.916 -31.714 -1.554 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -13.214 -32.070 -1.174 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -14.278 -33.360 -1.782 1.00 10.00 H new ATOM 556 N GLN A 41 -14.977 -35.954 0.777 1.00 10.00 N ATOM 557 CA GLN A 41 -15.413 -37.230 0.238 1.00 10.00 C ATOM 558 C GLN A 41 -16.912 -37.141 -0.031 1.00 10.00 C ATOM 559 O GLN A 41 -17.706 -36.994 0.898 1.00 10.00 O ATOM 560 CB GLN A 41 -15.034 -38.378 1.183 1.00 10.00 C ATOM 561 CG GLN A 41 -15.170 -39.739 0.480 1.00 10.00 C ATOM 562 CD GLN A 41 -14.517 -40.864 1.282 1.00 10.00 C ATOM 563 OE1 GLN A 41 -14.275 -40.732 2.479 1.00 10.00 O ATOM 564 NE2 GLN A 41 -14.216 -41.982 0.633 1.00 10.00 N ATOM 0 H GLN A 41 -15.518 -35.653 1.588 1.00 10.00 H new ATOM 0 HA GLN A 41 -14.908 -37.449 -0.703 1.00 10.00 H new ATOM 0 HB2 GLN A 41 -14.009 -38.245 1.530 1.00 10.00 H new ATOM 0 HB3 GLN A 41 -15.675 -38.355 2.065 1.00 10.00 H new ATOM 0 HG2 GLN A 41 -16.226 -39.966 0.330 1.00 10.00 H new ATOM 0 HG3 GLN A 41 -14.712 -39.685 -0.508 1.00 10.00 H new ATOM 0 HE21 GLN A 41 -14.427 -42.067 -0.361 1.00 10.00 H new ATOM 0 HE22 GLN A 41 -13.774 -42.756 1.129 1.00 10.00 H new ATOM 573 N MET A 42 -17.305 -37.220 -1.301 1.00 10.00 N ATOM 574 CA MET A 42 -18.700 -37.165 -1.706 1.00 10.00 C ATOM 575 C MET A 42 -19.356 -38.511 -1.408 1.00 10.00 C ATOM 576 O MET A 42 -19.620 -39.298 -2.314 1.00 10.00 O ATOM 577 CB MET A 42 -18.804 -36.782 -3.186 1.00 10.00 C ATOM 578 CG MET A 42 -18.172 -35.408 -3.446 1.00 10.00 C ATOM 579 SD MET A 42 -18.928 -34.430 -4.771 1.00 10.00 S ATOM 580 CE MET A 42 -20.519 -34.039 -4.007 1.00 10.00 C ATOM 0 H MET A 42 -16.656 -37.325 -2.081 1.00 10.00 H new ATOM 0 HA MET A 42 -19.230 -36.397 -1.142 1.00 10.00 H new ATOM 0 HB2 MET A 42 -18.306 -37.536 -3.796 1.00 10.00 H new ATOM 0 HB3 MET A 42 -19.851 -36.767 -3.489 1.00 10.00 H new ATOM 0 HG2 MET A 42 -18.214 -34.829 -2.523 1.00 10.00 H new ATOM 0 HG3 MET A 42 -17.118 -35.553 -3.683 1.00 10.00 H new ATOM 0 HE1 MET A 42 -20.992 -33.221 -4.550 1.00 10.00 H new ATOM 0 HE2 MET A 42 -21.164 -34.917 -4.040 1.00 10.00 H new ATOM 0 HE3 MET A 42 -20.362 -33.743 -2.970 1.00 10.00 H new ATOM 590 N ARG A 43 -19.599 -38.781 -0.124 1.00 10.00 N ATOM 591 CA ARG A 43 -20.176 -40.025 0.379 1.00 10.00 C ATOM 592 C ARG A 43 -21.655 -40.178 0.002 1.00 10.00 C ATOM 593 O ARG A 43 -22.513 -40.317 0.871 1.00 10.00 O ATOM 594 CB ARG A 43 -19.961 -40.117 1.900 1.00 10.00 C ATOM 595 CG ARG A 43 -18.469 -40.217 2.227 1.00 10.00 C ATOM 596 CD ARG A 43 -18.201 -40.254 3.732 1.00 10.00 C ATOM 597 NE ARG A 43 -16.757 -40.360 3.970 1.00 10.00 N ATOM 598 CZ ARG A 43 -16.130 -40.185 5.138 1.00 10.00 C ATOM 599 NH1 ARG A 43 -16.819 -39.937 6.257 1.00 10.00 N ATOM 600 NH2 ARG A 43 -14.797 -40.262 5.152 1.00 10.00 N ATOM 0 H ARG A 43 -19.391 -38.114 0.619 1.00 10.00 H new ATOM 0 HA ARG A 43 -19.660 -40.857 -0.100 1.00 10.00 H new ATOM 0 HB2 ARG A 43 -20.388 -39.240 2.387 1.00 10.00 H new ATOM 0 HB3 ARG A 43 -20.485 -40.988 2.295 1.00 10.00 H new ATOM 0 HG2 ARG A 43 -18.059 -41.115 1.766 1.00 10.00 H new ATOM 0 HG3 ARG A 43 -17.946 -39.367 1.789 1.00 10.00 H new ATOM 0 HD2 ARG A 43 -18.593 -39.353 4.204 1.00 10.00 H new ATOM 0 HD3 ARG A 43 -18.718 -41.101 4.183 1.00 10.00 H new ATOM 0 HE ARG A 43 -16.174 -40.590 3.165 1.00 10.00 H new ATOM 0 HH11 ARG A 43 -17.837 -39.879 6.227 1.00 10.00 H new ATOM 0 HH12 ARG A 43 -16.327 -39.806 7.141 1.00 10.00 H new ATOM 0 HH21 ARG A 43 -14.288 -40.449 4.288 1.00 10.00 H new ATOM 0 HH22 ARG A 43 -14.288 -40.133 6.026 1.00 10.00 H new ATOM 614 N GLN A 44 -21.964 -40.209 -1.297 1.00 10.00 N ATOM 615 CA GLN A 44 -23.313 -40.385 -1.821 1.00 10.00 C ATOM 616 C GLN A 44 -23.743 -41.854 -1.735 1.00 10.00 C ATOM 617 O GLN A 44 -24.242 -42.428 -2.699 1.00 10.00 O ATOM 618 CB GLN A 44 -23.378 -39.809 -3.249 1.00 10.00 C ATOM 619 CG GLN A 44 -22.462 -40.507 -4.275 1.00 10.00 C ATOM 620 CD GLN A 44 -23.208 -41.470 -5.199 1.00 10.00 C ATOM 621 OE1 GLN A 44 -22.926 -42.664 -5.233 1.00 10.00 O ATOM 622 NE2 GLN A 44 -24.149 -40.957 -5.987 1.00 10.00 N ATOM 0 H GLN A 44 -21.261 -40.109 -2.029 1.00 10.00 H new ATOM 0 HA GLN A 44 -24.030 -39.833 -1.213 1.00 10.00 H new ATOM 0 HB2 GLN A 44 -24.407 -39.870 -3.603 1.00 10.00 H new ATOM 0 HB3 GLN A 44 -23.116 -38.752 -3.211 1.00 10.00 H new ATOM 0 HG2 GLN A 44 -21.962 -39.750 -4.879 1.00 10.00 H new ATOM 0 HG3 GLN A 44 -21.684 -41.055 -3.743 1.00 10.00 H new ATOM 0 HE21 GLN A 44 -24.366 -39.961 -5.941 1.00 10.00 H new ATOM 0 HE22 GLN A 44 -24.654 -41.559 -6.637 1.00 10.00 H new ATOM 631 N GLY A 45 -23.552 -42.484 -0.575 1.00 10.00 N ATOM 632 CA GLY A 45 -23.898 -43.877 -0.357 1.00 10.00 C ATOM 633 C GLY A 45 -22.919 -44.836 -1.040 1.00 10.00 C ATOM 634 O GLY A 45 -22.286 -45.637 -0.358 1.00 10.00 O ATOM 0 H GLY A 45 -23.148 -42.031 0.244 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -23.915 -44.081 0.714 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -24.905 -44.061 -0.732 1.00 10.00 H new ATOM 638 N PHE A 46 -22.814 -44.782 -2.375 1.00 10.00 N ATOM 639 CA PHE A 46 -21.986 -45.700 -3.155 1.00 10.00 C ATOM 640 C PHE A 46 -20.660 -45.082 -3.614 1.00 10.00 C ATOM 641 O PHE A 46 -19.600 -45.439 -3.103 1.00 10.00 O ATOM 642 CB PHE A 46 -22.810 -46.259 -4.323 1.00 10.00 C ATOM 643 CG PHE A 46 -22.131 -47.402 -5.054 1.00 10.00 C ATOM 644 CD1 PHE A 46 -22.069 -48.676 -4.458 1.00 10.00 C ATOM 645 CD2 PHE A 46 -21.532 -47.189 -6.309 1.00 10.00 C ATOM 646 CE1 PHE A 46 -21.417 -49.731 -5.117 1.00 10.00 C ATOM 647 CE2 PHE A 46 -20.884 -48.247 -6.970 1.00 10.00 C ATOM 648 CZ PHE A 46 -20.825 -49.518 -6.375 1.00 10.00 C ATOM 0 H PHE A 46 -23.307 -44.094 -2.944 1.00 10.00 H new ATOM 0 HA PHE A 46 -21.691 -46.524 -2.504 1.00 10.00 H new ATOM 0 HB2 PHE A 46 -23.773 -46.602 -3.946 1.00 10.00 H new ATOM 0 HB3 PHE A 46 -23.013 -45.455 -5.031 1.00 10.00 H new ATOM 0 HD1 PHE A 46 -22.524 -48.842 -3.493 1.00 10.00 H new ATOM 0 HD2 PHE A 46 -21.570 -46.211 -6.765 1.00 10.00 H new ATOM 0 HE1 PHE A 46 -21.370 -50.707 -4.657 1.00 10.00 H new ATOM 0 HE2 PHE A 46 -20.431 -48.082 -7.936 1.00 10.00 H new ATOM 0 HZ PHE A 46 -20.326 -50.330 -6.883 1.00 10.00 H new ATOM 658 N PHE A 47 -20.694 -44.168 -4.590 1.00 10.00 N ATOM 659 CA PHE A 47 -19.498 -43.555 -5.157 1.00 10.00 C ATOM 660 C PHE A 47 -18.876 -42.542 -4.195 1.00 10.00 C ATOM 661 O PHE A 47 -18.889 -41.344 -4.467 1.00 10.00 O ATOM 662 CB PHE A 47 -19.818 -42.895 -6.508 1.00 10.00 C ATOM 663 CG PHE A 47 -20.296 -43.842 -7.592 1.00 10.00 C ATOM 664 CD1 PHE A 47 -19.395 -44.762 -8.162 1.00 10.00 C ATOM 665 CD2 PHE A 47 -21.609 -43.753 -8.091 1.00 10.00 C ATOM 666 CE1 PHE A 47 -19.807 -45.591 -9.219 1.00 10.00 C ATOM 667 CE2 PHE A 47 -22.027 -44.598 -9.134 1.00 10.00 C ATOM 668 CZ PHE A 47 -21.126 -45.518 -9.698 1.00 10.00 C ATOM 0 H PHE A 47 -21.562 -43.833 -5.009 1.00 10.00 H new ATOM 0 HA PHE A 47 -18.766 -44.346 -5.321 1.00 10.00 H new ATOM 0 HB2 PHE A 47 -20.582 -42.133 -6.350 1.00 10.00 H new ATOM 0 HB3 PHE A 47 -18.925 -42.382 -6.864 1.00 10.00 H new ATOM 0 HD1 PHE A 47 -18.385 -44.831 -7.786 1.00 10.00 H new ATOM 0 HD2 PHE A 47 -22.297 -43.034 -7.672 1.00 10.00 H new ATOM 0 HE1 PHE A 47 -19.109 -46.285 -9.664 1.00 10.00 H new ATOM 0 HE2 PHE A 47 -23.041 -44.540 -9.502 1.00 10.00 H new ATOM 0 HZ PHE A 47 -21.447 -46.168 -10.499 1.00 10.00 H new ATOM 678 N ALA A 48 -18.312 -43.018 -3.083 1.00 10.00 N ATOM 679 CA ALA A 48 -17.657 -42.195 -2.074 1.00 10.00 C ATOM 680 C ALA A 48 -16.296 -41.684 -2.567 1.00 10.00 C ATOM 681 O ALA A 48 -15.263 -41.961 -1.957 1.00 10.00 O ATOM 682 CB ALA A 48 -17.532 -43.005 -0.780 1.00 10.00 C ATOM 0 H ALA A 48 -18.300 -44.013 -2.857 1.00 10.00 H new ATOM 0 HA ALA A 48 -18.261 -41.309 -1.878 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -17.043 -42.399 -0.017 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -18.525 -43.293 -0.434 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -16.939 -43.900 -0.967 1.00 10.00 H new ATOM 688 N VAL A 49 -16.287 -40.931 -3.669 1.00 10.00 N ATOM 689 CA VAL A 49 -15.067 -40.393 -4.256 1.00 10.00 C ATOM 690 C VAL A 49 -14.582 -39.167 -3.496 1.00 10.00 C ATOM 691 O VAL A 49 -15.373 -38.449 -2.885 1.00 10.00 O ATOM 692 CB VAL A 49 -15.239 -40.106 -5.754 1.00 10.00 C ATOM 693 CG1 VAL A 49 -15.387 -41.444 -6.479 1.00 10.00 C ATOM 694 CG2 VAL A 49 -16.413 -39.170 -6.070 1.00 10.00 C ATOM 0 H VAL A 49 -17.133 -40.678 -4.179 1.00 10.00 H new ATOM 0 HA VAL A 49 -14.294 -41.157 -4.166 1.00 10.00 H new ATOM 0 HB VAL A 49 -14.355 -39.573 -6.103 1.00 10.00 H new ATOM 0 HG11 VAL A 49 -15.511 -41.267 -7.547 1.00 10.00 H new ATOM 0 HG12 VAL A 49 -14.496 -42.049 -6.312 1.00 10.00 H new ATOM 0 HG13 VAL A 49 -16.260 -41.971 -6.095 1.00 10.00 H new ATOM 0 HG21 VAL A 49 -16.473 -39.013 -7.147 1.00 10.00 H new ATOM 0 HG22 VAL A 49 -17.341 -39.619 -5.716 1.00 10.00 H new ATOM 0 HG23 VAL A 49 -16.260 -38.213 -5.571 1.00 10.00 H new ATOM 704 N GLN A 50 -13.266 -38.947 -3.536 1.00 10.00 N ATOM 705 CA GLN A 50 -12.595 -37.861 -2.847 1.00 10.00 C ATOM 706 C GLN A 50 -12.176 -36.755 -3.803 1.00 10.00 C ATOM 707 O GLN A 50 -11.907 -37.015 -4.974 1.00 10.00 O ATOM 708 CB GLN A 50 -11.397 -38.419 -2.077 1.00 10.00 C ATOM 709 CG GLN A 50 -11.905 -39.226 -0.879 1.00 10.00 C ATOM 710 CD GLN A 50 -10.780 -39.762 -0.006 1.00 10.00 C ATOM 711 OE1 GLN A 50 -9.752 -39.113 0.167 1.00 10.00 O ATOM 712 NE2 GLN A 50 -10.976 -40.943 0.572 1.00 10.00 N ATOM 0 H GLN A 50 -12.627 -39.540 -4.065 1.00 10.00 H new ATOM 0 HA GLN A 50 -13.294 -37.408 -2.144 1.00 10.00 H new ATOM 0 HB2 GLN A 50 -10.793 -39.051 -2.728 1.00 10.00 H new ATOM 0 HB3 GLN A 50 -10.756 -37.606 -1.738 1.00 10.00 H new ATOM 0 HG2 GLN A 50 -12.559 -38.597 -0.275 1.00 10.00 H new ATOM 0 HG3 GLN A 50 -12.508 -40.060 -1.238 1.00 10.00 H new ATOM 0 HE21 GLN A 50 -11.843 -41.455 0.406 1.00 10.00 H new ATOM 0 HE22 GLN A 50 -10.260 -41.337 1.182 1.00 10.00 H new ATOM 721 N GLN A 51 -12.120 -35.521 -3.292 1.00 10.00 N ATOM 722 CA GLN A 51 -11.715 -34.344 -4.046 1.00 10.00 C ATOM 723 C GLN A 51 -10.959 -33.418 -3.096 1.00 10.00 C ATOM 724 O GLN A 51 -11.253 -33.403 -1.901 1.00 10.00 O ATOM 725 CB GLN A 51 -12.937 -33.580 -4.586 1.00 10.00 C ATOM 726 CG GLN A 51 -14.067 -34.447 -5.162 1.00 10.00 C ATOM 727 CD GLN A 51 -15.331 -33.621 -5.374 1.00 10.00 C ATOM 728 OE1 GLN A 51 -15.794 -33.445 -6.495 1.00 10.00 O ATOM 729 NE2 GLN A 51 -15.900 -33.111 -4.284 1.00 10.00 N ATOM 0 H GLN A 51 -12.361 -35.315 -2.323 1.00 10.00 H new ATOM 0 HA GLN A 51 -11.099 -34.658 -4.889 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -13.347 -32.971 -3.780 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -12.599 -32.894 -5.363 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -13.750 -34.883 -6.109 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -14.278 -35.274 -4.484 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -15.486 -33.278 -3.367 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -16.750 -32.553 -4.366 1.00 10.00 H new ATOM 738 N THR A 52 -10.025 -32.621 -3.608 1.00 10.00 N ATOM 739 CA THR A 52 -9.329 -31.630 -2.806 1.00 10.00 C ATOM 740 C THR A 52 -10.364 -30.647 -2.254 1.00 10.00 C ATOM 741 O THR A 52 -11.243 -30.222 -2.999 1.00 10.00 O ATOM 742 CB THR A 52 -8.332 -30.900 -3.710 1.00 10.00 C ATOM 743 OG1 THR A 52 -7.580 -31.850 -4.437 1.00 10.00 O ATOM 744 CG2 THR A 52 -7.404 -30.012 -2.883 1.00 10.00 C ATOM 0 H THR A 52 -9.734 -32.647 -4.585 1.00 10.00 H new ATOM 0 HA THR A 52 -8.794 -32.093 -1.977 1.00 10.00 H new ATOM 0 HB THR A 52 -8.881 -30.262 -4.403 1.00 10.00 H new ATOM 0 HG1 THR A 52 -6.942 -31.386 -5.018 1.00 10.00 H new ATOM 0 HG21 THR A 52 -6.703 -29.502 -3.544 1.00 10.00 H new ATOM 0 HG22 THR A 52 -7.995 -29.273 -2.341 1.00 10.00 H new ATOM 0 HG23 THR A 52 -6.851 -30.626 -2.172 1.00 10.00 H new ATOM 752 N CYS A 53 -10.284 -30.273 -0.973 1.00 10.00 N ATOM 753 CA CYS A 53 -11.247 -29.339 -0.411 1.00 10.00 C ATOM 754 C CYS A 53 -10.969 -27.932 -0.960 1.00 10.00 C ATOM 755 O CYS A 53 -9.898 -27.388 -0.684 1.00 10.00 O ATOM 756 CB CYS A 53 -11.157 -29.358 1.113 1.00 10.00 C ATOM 757 SG CYS A 53 -12.407 -28.319 1.911 1.00 10.00 S ATOM 0 H CYS A 53 -9.572 -30.600 -0.320 1.00 10.00 H new ATOM 0 HA CYS A 53 -12.257 -29.632 -0.696 1.00 10.00 H new ATOM 0 HB2 CYS A 53 -11.267 -30.384 1.465 1.00 10.00 H new ATOM 0 HB3 CYS A 53 -10.166 -29.022 1.417 1.00 10.00 H new ATOM 762 N PRO A 54 -11.891 -27.317 -1.723 1.00 10.00 N ATOM 763 CA PRO A 54 -11.665 -26.001 -2.301 1.00 10.00 C ATOM 764 C PRO A 54 -11.661 -24.915 -1.226 1.00 10.00 C ATOM 765 O PRO A 54 -10.863 -23.983 -1.300 1.00 10.00 O ATOM 766 CB PRO A 54 -12.791 -25.805 -3.319 1.00 10.00 C ATOM 767 CG PRO A 54 -13.934 -26.651 -2.760 1.00 10.00 C ATOM 768 CD PRO A 54 -13.204 -27.825 -2.104 1.00 10.00 C ATOM 0 HA PRO A 54 -10.688 -25.929 -2.780 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -13.074 -24.756 -3.406 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -12.495 -26.139 -4.313 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -14.533 -26.094 -2.039 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -14.611 -26.985 -3.546 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -13.750 -28.187 -1.233 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -13.113 -28.663 -2.795 1.00 10.00 H new ATOM 776 N HIS A 55 -12.544 -25.042 -0.228 1.00 10.00 N ATOM 777 CA HIS A 55 -12.720 -24.112 0.886 1.00 10.00 C ATOM 778 C HIS A 55 -11.381 -23.679 1.499 1.00 10.00 C ATOM 779 O HIS A 55 -11.185 -22.501 1.791 1.00 10.00 O ATOM 780 CB HIS A 55 -13.633 -24.787 1.921 1.00 10.00 C ATOM 781 CG HIS A 55 -14.066 -23.952 3.101 1.00 10.00 C ATOM 782 ND1 HIS A 55 -14.590 -24.453 4.273 1.00 10.00 N ATOM 783 CD2 HIS A 55 -14.099 -22.583 3.189 1.00 10.00 C ATOM 784 CE1 HIS A 55 -14.919 -23.408 5.051 1.00 10.00 C ATOM 785 NE2 HIS A 55 -14.634 -22.249 4.436 1.00 10.00 N ATOM 0 H HIS A 55 -13.184 -25.835 -0.176 1.00 10.00 H new ATOM 0 HA HIS A 55 -13.182 -23.193 0.526 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -14.528 -25.136 1.406 1.00 10.00 H new ATOM 0 HB3 HIS A 55 -13.119 -25.670 2.301 1.00 10.00 H new ATOM 0 HD2 HIS A 55 -13.770 -21.888 2.430 1.00 10.00 H new ATOM 0 HE1 HIS A 55 -15.353 -23.489 6.036 1.00 10.00 H new ATOM 0 HE2 HIS A 55 -14.779 -21.310 4.806 1.00 10.00 H new ATOM 793 N CYS A 56 -10.461 -24.635 1.672 1.00 10.00 N ATOM 794 CA CYS A 56 -9.129 -24.402 2.223 1.00 10.00 C ATOM 795 C CYS A 56 -8.026 -24.678 1.198 1.00 10.00 C ATOM 796 O CYS A 56 -6.880 -24.910 1.579 1.00 10.00 O ATOM 797 CB CYS A 56 -8.946 -25.286 3.456 1.00 10.00 C ATOM 798 SG CYS A 56 -9.118 -27.054 3.133 1.00 10.00 S ATOM 0 H CYS A 56 -10.629 -25.611 1.427 1.00 10.00 H new ATOM 0 HA CYS A 56 -9.047 -23.350 2.498 1.00 10.00 H new ATOM 0 HB2 CYS A 56 -7.959 -25.100 3.879 1.00 10.00 H new ATOM 0 HB3 CYS A 56 -9.676 -24.993 4.210 1.00 10.00 H new ATOM 803 N GLN A 57 -8.359 -24.662 -0.096 1.00 10.00 N ATOM 804 CA GLN A 57 -7.422 -24.865 -1.192 1.00 10.00 C ATOM 805 C GLN A 57 -6.516 -26.080 -0.936 1.00 10.00 C ATOM 806 O GLN A 57 -5.313 -26.033 -1.178 1.00 10.00 O ATOM 807 CB GLN A 57 -6.610 -23.577 -1.430 1.00 10.00 C ATOM 808 CG GLN A 57 -7.469 -22.323 -1.686 1.00 10.00 C ATOM 809 CD GLN A 57 -8.100 -21.751 -0.416 1.00 10.00 C ATOM 810 OE1 GLN A 57 -7.417 -21.168 0.418 1.00 10.00 O ATOM 811 NE2 GLN A 57 -9.408 -21.922 -0.248 1.00 10.00 N ATOM 0 H GLN A 57 -9.315 -24.503 -0.413 1.00 10.00 H new ATOM 0 HA GLN A 57 -7.983 -25.084 -2.100 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -5.975 -23.397 -0.563 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -5.949 -23.731 -2.283 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -6.850 -21.557 -2.153 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -8.258 -22.571 -2.396 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -9.954 -22.411 -0.958 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -9.866 -21.564 0.590 1.00 10.00 H new ATOM 820 N GLY A 58 -7.092 -27.173 -0.425 1.00 10.00 N ATOM 821 CA GLY A 58 -6.363 -28.398 -0.125 1.00 10.00 C ATOM 822 C GLY A 58 -5.415 -28.322 1.080 1.00 10.00 C ATOM 823 O GLY A 58 -4.874 -29.349 1.480 1.00 10.00 O ATOM 0 H GLY A 58 -8.087 -27.227 -0.208 1.00 10.00 H new ATOM 0 HA2 GLY A 58 -7.084 -29.196 0.052 1.00 10.00 H new ATOM 0 HA3 GLY A 58 -5.784 -28.681 -1.004 1.00 10.00 H new ATOM 827 N ARG A 59 -5.202 -27.146 1.680 1.00 10.00 N ATOM 828 CA ARG A 59 -4.276 -26.978 2.799 1.00 10.00 C ATOM 829 C ARG A 59 -4.829 -27.496 4.131 1.00 10.00 C ATOM 830 O ARG A 59 -4.120 -27.490 5.137 1.00 10.00 O ATOM 831 CB ARG A 59 -3.948 -25.490 2.973 1.00 10.00 C ATOM 832 CG ARG A 59 -3.375 -24.802 1.729 1.00 10.00 C ATOM 833 CD ARG A 59 -3.071 -23.351 2.112 1.00 10.00 C ATOM 834 NE ARG A 59 -2.370 -22.628 1.043 1.00 10.00 N ATOM 835 CZ ARG A 59 -1.745 -21.456 1.236 1.00 10.00 C ATOM 836 NH1 ARG A 59 -1.820 -20.850 2.425 1.00 10.00 N ATOM 837 NH2 ARG A 59 -1.042 -20.904 0.243 1.00 10.00 N ATOM 0 H ARG A 59 -5.669 -26.283 1.401 1.00 10.00 H new ATOM 0 HA ARG A 59 -3.391 -27.565 2.553 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -4.856 -24.966 3.273 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -3.234 -25.384 3.789 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -2.470 -25.308 1.392 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -4.088 -24.841 0.905 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -4.003 -22.836 2.345 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -2.463 -23.336 3.017 1.00 10.00 H new ATOM 0 HE ARG A 59 -2.358 -23.036 0.108 1.00 10.00 H new ATOM 0 HH11 ARG A 59 -2.351 -21.278 3.183 1.00 10.00 H new ATOM 0 HH12 ARG A 59 -1.346 -19.959 2.574 1.00 10.00 H new ATOM 0 HH21 ARG A 59 -0.981 -21.373 -0.661 1.00 10.00 H new ATOM 0 HH22 ARG A 59 -0.567 -20.013 0.388 1.00 10.00 H new ATOM 851 N GLY A 60 -6.115 -27.853 4.184 1.00 10.00 N ATOM 852 CA GLY A 60 -6.790 -28.266 5.413 1.00 10.00 C ATOM 853 C GLY A 60 -6.888 -27.137 6.451 1.00 10.00 C ATOM 854 O GLY A 60 -7.373 -27.355 7.561 1.00 10.00 O ATOM 0 H GLY A 60 -6.722 -27.863 3.364 1.00 10.00 H new ATOM 0 HA2 GLY A 60 -7.793 -28.617 5.170 1.00 10.00 H new ATOM 0 HA3 GLY A 60 -6.254 -29.109 5.850 1.00 10.00 H new ATOM 858 N THR A 61 -6.428 -25.931 6.105 1.00 10.00 N ATOM 859 CA THR A 61 -6.337 -24.772 6.970 1.00 10.00 C ATOM 860 C THR A 61 -6.996 -23.567 6.298 1.00 10.00 C ATOM 861 O THR A 61 -6.755 -23.295 5.125 1.00 10.00 O ATOM 862 CB THR A 61 -4.848 -24.518 7.248 1.00 10.00 C ATOM 863 OG1 THR A 61 -4.037 -24.896 6.151 1.00 10.00 O ATOM 864 CG2 THR A 61 -4.382 -25.294 8.483 1.00 10.00 C ATOM 0 H THR A 61 -6.093 -25.736 5.161 1.00 10.00 H new ATOM 0 HA THR A 61 -6.860 -24.941 7.911 1.00 10.00 H new ATOM 0 HB THR A 61 -4.743 -23.447 7.418 1.00 10.00 H new ATOM 0 HG1 THR A 61 -4.088 -25.867 6.026 1.00 10.00 H new ATOM 0 HG21 THR A 61 -3.324 -25.097 8.659 1.00 10.00 H new ATOM 0 HG22 THR A 61 -4.959 -24.977 9.351 1.00 10.00 H new ATOM 0 HG23 THR A 61 -4.530 -26.361 8.319 1.00 10.00 H new ATOM 872 N LEU A 62 -7.832 -22.851 7.051 1.00 10.00 N ATOM 873 CA LEU A 62 -8.565 -21.682 6.606 1.00 10.00 C ATOM 874 C LEU A 62 -7.860 -20.418 7.077 1.00 10.00 C ATOM 875 O LEU A 62 -7.666 -20.200 8.279 1.00 10.00 O ATOM 876 CB LEU A 62 -10.002 -21.708 7.142 1.00 10.00 C ATOM 877 CG LEU A 62 -10.842 -22.858 6.573 1.00 10.00 C ATOM 878 CD1 LEU A 62 -12.173 -22.924 7.326 1.00 10.00 C ATOM 879 CD2 LEU A 62 -11.130 -22.663 5.080 1.00 10.00 C ATOM 0 H LEU A 62 -8.019 -23.085 8.026 1.00 10.00 H new ATOM 0 HA LEU A 62 -8.601 -21.690 5.517 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -9.975 -21.790 8.229 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -10.488 -20.761 6.906 1.00 10.00 H new ATOM 0 HG LEU A 62 -10.277 -23.782 6.696 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -12.777 -23.739 6.927 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -11.984 -23.097 8.385 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -12.708 -21.982 7.202 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -11.727 -23.498 4.713 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -11.678 -21.732 4.934 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -10.190 -22.620 4.531 1.00 10.00 H new ATOM 891 N ILE A 63 -7.516 -19.575 6.102 1.00 10.00 N ATOM 892 CA ILE A 63 -6.879 -18.284 6.286 1.00 10.00 C ATOM 893 C ILE A 63 -7.982 -17.286 6.655 1.00 10.00 C ATOM 894 O ILE A 63 -8.329 -16.396 5.881 1.00 10.00 O ATOM 895 CB ILE A 63 -6.123 -17.915 4.990 1.00 10.00 C ATOM 896 CG1 ILE A 63 -5.176 -19.031 4.502 1.00 10.00 C ATOM 897 CG2 ILE A 63 -5.345 -16.604 5.163 1.00 10.00 C ATOM 898 CD1 ILE A 63 -4.042 -19.347 5.478 1.00 10.00 C ATOM 0 H ILE A 63 -7.685 -19.790 5.119 1.00 10.00 H new ATOM 0 HA ILE A 63 -6.140 -18.285 7.087 1.00 10.00 H new ATOM 0 HB ILE A 63 -6.886 -17.785 4.223 1.00 10.00 H new ATOM 0 HG12 ILE A 63 -5.756 -19.937 4.328 1.00 10.00 H new ATOM 0 HG13 ILE A 63 -4.747 -18.738 3.544 1.00 10.00 H new ATOM 0 HG21 ILE A 63 -4.822 -16.367 4.237 1.00 10.00 H new ATOM 0 HG22 ILE A 63 -6.038 -15.799 5.405 1.00 10.00 H new ATOM 0 HG23 ILE A 63 -4.621 -16.714 5.971 1.00 10.00 H new ATOM 0 HD11 ILE A 63 -3.418 -20.141 5.067 1.00 10.00 H new ATOM 0 HD12 ILE A 63 -3.437 -18.454 5.634 1.00 10.00 H new ATOM 0 HD13 ILE A 63 -4.461 -19.672 6.430 1.00 10.00 H new ATOM 910 N LYS A 64 -8.573 -17.467 7.839 1.00 10.00 N ATOM 911 CA LYS A 64 -9.682 -16.642 8.310 1.00 10.00 C ATOM 912 C LYS A 64 -9.327 -15.152 8.359 1.00 10.00 C ATOM 913 O LYS A 64 -10.170 -14.309 8.065 1.00 10.00 O ATOM 914 CB LYS A 64 -10.157 -17.136 9.682 1.00 10.00 C ATOM 915 CG LYS A 64 -10.694 -18.578 9.671 1.00 10.00 C ATOM 916 CD LYS A 64 -11.863 -18.825 8.704 1.00 10.00 C ATOM 917 CE LYS A 64 -13.053 -17.877 8.906 1.00 10.00 C ATOM 918 NZ LYS A 64 -13.577 -17.933 10.282 1.00 10.00 N ATOM 0 H LYS A 64 -8.293 -18.193 8.498 1.00 10.00 H new ATOM 0 HA LYS A 64 -10.494 -16.744 7.590 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -9.329 -17.072 10.388 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -10.939 -16.470 10.047 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -9.878 -19.252 9.411 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -11.014 -18.839 10.680 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -11.502 -18.724 7.681 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -12.207 -19.853 8.821 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -12.746 -16.857 8.676 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -13.846 -18.137 8.205 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -14.421 -17.330 10.357 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -13.831 -18.914 10.517 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -12.850 -17.595 10.944 1.00 10.00 H new ATOM 932 N ASP A 65 -8.092 -14.832 8.753 1.00 10.00 N ATOM 933 CA ASP A 65 -7.578 -13.473 8.896 1.00 10.00 C ATOM 934 C ASP A 65 -6.281 -13.301 8.086 1.00 10.00 C ATOM 935 O ASP A 65 -5.186 -13.447 8.636 1.00 10.00 O ATOM 936 CB ASP A 65 -7.418 -13.131 10.386 1.00 10.00 C ATOM 937 CG ASP A 65 -6.632 -14.138 11.227 1.00 10.00 C ATOM 938 OD1 ASP A 65 -6.285 -15.223 10.710 1.00 10.00 O ATOM 939 OD2 ASP A 65 -6.409 -13.795 12.407 1.00 10.00 O ATOM 0 H ASP A 65 -7.398 -15.541 8.990 1.00 10.00 H new ATOM 0 HA ASP A 65 -8.290 -12.759 8.483 1.00 10.00 H new ATOM 0 HB2 ASP A 65 -6.927 -12.161 10.465 1.00 10.00 H new ATOM 0 HB3 ASP A 65 -8.411 -13.022 10.821 1.00 10.00 H new ATOM 944 N PRO A 66 -6.399 -13.006 6.779 1.00 10.00 N ATOM 945 CA PRO A 66 -5.286 -12.847 5.857 1.00 10.00 C ATOM 946 C PRO A 66 -4.158 -11.923 6.323 1.00 10.00 C ATOM 947 O PRO A 66 -4.378 -10.785 6.734 1.00 10.00 O ATOM 948 CB PRO A 66 -5.894 -12.319 4.553 1.00 10.00 C ATOM 949 CG PRO A 66 -7.306 -12.896 4.575 1.00 10.00 C ATOM 950 CD PRO A 66 -7.657 -12.841 6.060 1.00 10.00 C ATOM 0 HA PRO A 66 -4.795 -13.815 5.756 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -5.904 -11.229 4.524 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -5.334 -12.656 3.681 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -7.996 -12.306 3.972 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -7.335 -13.914 4.188 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -8.130 -11.892 6.314 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -8.363 -13.629 6.323 1.00 10.00 H new ATOM 958 N CYS A 67 -2.929 -12.414 6.181 1.00 10.00 N ATOM 959 CA CYS A 67 -1.702 -11.691 6.441 1.00 10.00 C ATOM 960 C CYS A 67 -1.508 -10.714 5.285 1.00 10.00 C ATOM 961 O CYS A 67 -0.991 -11.092 4.231 1.00 10.00 O ATOM 962 CB CYS A 67 -0.550 -12.696 6.516 1.00 10.00 C ATOM 963 SG CYS A 67 1.097 -11.968 6.700 1.00 10.00 S ATOM 0 H CYS A 67 -2.762 -13.370 5.867 1.00 10.00 H new ATOM 0 HA CYS A 67 -1.736 -11.144 7.383 1.00 10.00 H new ATOM 0 HB2 CYS A 67 -0.729 -13.367 7.356 1.00 10.00 H new ATOM 0 HB3 CYS A 67 -0.561 -13.306 5.612 1.00 10.00 H new ATOM 968 N ASN A 68 -1.958 -9.471 5.482 1.00 10.00 N ATOM 969 CA ASN A 68 -1.906 -8.381 4.512 1.00 10.00 C ATOM 970 C ASN A 68 -0.623 -8.385 3.675 1.00 10.00 C ATOM 971 O ASN A 68 -0.700 -8.329 2.452 1.00 10.00 O ATOM 972 CB ASN A 68 -2.069 -7.040 5.234 1.00 10.00 C ATOM 973 CG ASN A 68 -1.899 -5.873 4.265 1.00 10.00 C ATOM 974 OD1 ASN A 68 -0.858 -5.226 4.247 1.00 10.00 O ATOM 975 ND2 ASN A 68 -2.911 -5.598 3.448 1.00 10.00 N ATOM 0 H ASN A 68 -2.387 -9.188 6.363 1.00 10.00 H new ATOM 0 HA ASN A 68 -2.730 -8.531 3.814 1.00 10.00 H new ATOM 0 HB2 ASN A 68 -3.054 -6.991 5.699 1.00 10.00 H new ATOM 0 HB3 ASN A 68 -1.334 -6.962 6.035 1.00 10.00 H new ATOM 0 HD21 ASN A 68 -2.834 -4.830 2.782 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -3.764 -6.155 3.488 1.00 10.00 H new ATOM 982 N LYS A 69 0.541 -8.475 4.332 1.00 10.00 N ATOM 983 CA LYS A 69 1.853 -8.487 3.689 1.00 10.00 C ATOM 984 C LYS A 69 1.927 -9.412 2.465 1.00 10.00 C ATOM 985 O LYS A 69 2.604 -9.080 1.496 1.00 10.00 O ATOM 986 CB LYS A 69 2.934 -8.831 4.729 1.00 10.00 C ATOM 987 CG LYS A 69 4.340 -8.814 4.107 1.00 10.00 C ATOM 988 CD LYS A 69 5.468 -8.920 5.143 1.00 10.00 C ATOM 989 CE LYS A 69 5.600 -7.640 5.979 1.00 10.00 C ATOM 990 NZ LYS A 69 6.882 -7.599 6.708 1.00 10.00 N ATOM 0 H LYS A 69 0.593 -8.543 5.348 1.00 10.00 H new ATOM 0 HA LYS A 69 2.033 -7.486 3.298 1.00 10.00 H new ATOM 0 HB2 LYS A 69 2.890 -8.117 5.551 1.00 10.00 H new ATOM 0 HB3 LYS A 69 2.734 -9.816 5.151 1.00 10.00 H new ATOM 0 HG2 LYS A 69 4.427 -9.640 3.401 1.00 10.00 H new ATOM 0 HG3 LYS A 69 4.466 -7.893 3.537 1.00 10.00 H new ATOM 0 HD2 LYS A 69 5.276 -9.766 5.803 1.00 10.00 H new ATOM 0 HD3 LYS A 69 6.411 -9.120 4.634 1.00 10.00 H new ATOM 0 HE2 LYS A 69 5.523 -6.769 5.328 1.00 10.00 H new ATOM 0 HE3 LYS A 69 4.775 -7.581 6.689 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 6.770 -7.036 7.575 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 7.170 -8.566 6.958 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 7.610 -7.166 6.105 1.00 10.00 H new ATOM 1004 N CYS A 70 1.240 -10.558 2.503 1.00 10.00 N ATOM 1005 CA CYS A 70 1.204 -11.513 1.398 1.00 10.00 C ATOM 1006 C CYS A 70 -0.234 -11.767 0.941 1.00 10.00 C ATOM 1007 O CYS A 70 -0.495 -12.749 0.246 1.00 10.00 O ATOM 1008 CB CYS A 70 1.858 -12.818 1.851 1.00 10.00 C ATOM 1009 SG CYS A 70 1.059 -13.581 3.281 1.00 10.00 S ATOM 0 H CYS A 70 0.689 -10.849 3.311 1.00 10.00 H new ATOM 0 HA CYS A 70 1.752 -11.101 0.550 1.00 10.00 H new ATOM 0 HB2 CYS A 70 1.848 -13.525 1.021 1.00 10.00 H new ATOM 0 HB3 CYS A 70 2.903 -12.624 2.092 1.00 10.00 H new ATOM 1014 N HIS A 71 -1.178 -10.909 1.338 1.00 10.00 N ATOM 1015 CA HIS A 71 -2.594 -11.026 1.027 1.00 10.00 C ATOM 1016 C HIS A 71 -3.085 -12.474 1.209 1.00 10.00 C ATOM 1017 O HIS A 71 -3.786 -13.021 0.360 1.00 10.00 O ATOM 1018 CB HIS A 71 -2.837 -10.442 -0.373 1.00 10.00 C ATOM 1019 CG HIS A 71 -4.286 -10.183 -0.706 1.00 10.00 C ATOM 1020 ND1 HIS A 71 -5.268 -11.137 -0.828 1.00 10.00 N ATOM 1021 CD2 HIS A 71 -4.861 -8.966 -0.959 1.00 10.00 C ATOM 1022 CE1 HIS A 71 -6.413 -10.509 -1.141 1.00 10.00 C ATOM 1023 NE2 HIS A 71 -6.215 -9.184 -1.231 1.00 10.00 N ATOM 0 H HIS A 71 -0.964 -10.088 1.904 1.00 10.00 H new ATOM 0 HA HIS A 71 -3.194 -10.446 1.728 1.00 10.00 H new ATOM 0 HB2 HIS A 71 -2.285 -9.506 -0.462 1.00 10.00 H new ATOM 0 HB3 HIS A 71 -2.425 -11.127 -1.114 1.00 10.00 H new ATOM 0 HD1 HIS A 71 -5.148 -12.142 -0.703 1.00 10.00 H new ATOM 0 HD2 HIS A 71 -4.359 -8.010 -0.950 1.00 10.00 H new ATOM 0 HE1 HIS A 71 -7.361 -11.001 -1.298 1.00 10.00 H new ATOM 1031 N GLY A 72 -2.701 -13.114 2.318 1.00 10.00 N ATOM 1032 CA GLY A 72 -3.120 -14.474 2.626 1.00 10.00 C ATOM 1033 C GLY A 72 -2.514 -15.585 1.758 1.00 10.00 C ATOM 1034 O GLY A 72 -2.783 -16.752 2.028 1.00 10.00 O ATOM 0 H GLY A 72 -2.092 -12.699 3.023 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -2.873 -14.680 3.667 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -4.205 -14.526 2.539 1.00 10.00 H new ATOM 1038 N HIS A 73 -1.699 -15.275 0.741 1.00 10.00 N ATOM 1039 CA HIS A 73 -1.108 -16.307 -0.113 1.00 10.00 C ATOM 1040 C HIS A 73 -0.115 -17.166 0.668 1.00 10.00 C ATOM 1041 O HIS A 73 -0.011 -18.368 0.438 1.00 10.00 O ATOM 1042 CB HIS A 73 -0.431 -15.676 -1.334 1.00 10.00 C ATOM 1043 CG HIS A 73 -1.397 -14.930 -2.216 1.00 10.00 C ATOM 1044 ND1 HIS A 73 -1.776 -13.619 -2.058 1.00 10.00 N ATOM 1045 CD2 HIS A 73 -2.115 -15.445 -3.262 1.00 10.00 C ATOM 1046 CE1 HIS A 73 -2.703 -13.348 -2.993 1.00 10.00 C ATOM 1047 NE2 HIS A 73 -2.940 -14.429 -3.754 1.00 10.00 N ATOM 0 H HIS A 73 -1.436 -14.321 0.492 1.00 10.00 H new ATOM 0 HA HIS A 73 -1.912 -16.955 -0.461 1.00 10.00 H new ATOM 0 HB2 HIS A 73 0.349 -14.993 -0.999 1.00 10.00 H new ATOM 0 HB3 HIS A 73 0.058 -16.457 -1.917 1.00 10.00 H new ATOM 0 HD1 HIS A 73 -1.419 -12.969 -1.358 1.00 10.00 H new ATOM 0 HD2 HIS A 73 -2.055 -16.455 -3.639 1.00 10.00 H new ATOM 0 HE1 HIS A 73 -3.190 -12.392 -3.115 1.00 10.00 H new ATOM 1055 N GLY A 74 0.624 -16.530 1.579 1.00 10.00 N ATOM 1056 CA GLY A 74 1.609 -17.186 2.433 1.00 10.00 C ATOM 1057 C GLY A 74 3.047 -16.971 1.972 1.00 10.00 C ATOM 1058 O GLY A 74 3.978 -17.306 2.701 1.00 10.00 O ATOM 0 H GLY A 74 0.551 -15.526 1.745 1.00 10.00 H new ATOM 0 HA2 GLY A 74 1.502 -16.813 3.452 1.00 10.00 H new ATOM 0 HA3 GLY A 74 1.400 -18.255 2.461 1.00 10.00 H new ATOM 1062 N ARG A 75 3.255 -16.404 0.783 1.00 10.00 N ATOM 1063 CA ARG A 75 4.577 -16.162 0.225 1.00 10.00 C ATOM 1064 C ARG A 75 4.642 -14.767 -0.384 1.00 10.00 C ATOM 1065 O ARG A 75 3.607 -14.176 -0.689 1.00 10.00 O ATOM 1066 CB ARG A 75 4.907 -17.249 -0.808 1.00 10.00 C ATOM 1067 CG ARG A 75 3.838 -17.352 -1.905 1.00 10.00 C ATOM 1068 CD ARG A 75 4.259 -18.370 -2.968 1.00 10.00 C ATOM 1069 NE ARG A 75 3.232 -18.513 -4.010 1.00 10.00 N ATOM 1070 CZ ARG A 75 3.002 -17.642 -5.003 1.00 10.00 C ATOM 1071 NH1 ARG A 75 3.723 -16.520 -5.107 1.00 10.00 N ATOM 1072 NH2 ARG A 75 2.039 -17.899 -5.894 1.00 10.00 N ATOM 0 H ARG A 75 2.496 -16.097 0.175 1.00 10.00 H new ATOM 0 HA ARG A 75 5.325 -16.210 1.017 1.00 10.00 H new ATOM 0 HB2 ARG A 75 5.873 -17.033 -1.264 1.00 10.00 H new ATOM 0 HB3 ARG A 75 5.001 -18.211 -0.303 1.00 10.00 H new ATOM 0 HG2 ARG A 75 2.885 -17.648 -1.466 1.00 10.00 H new ATOM 0 HG3 ARG A 75 3.687 -16.376 -2.367 1.00 10.00 H new ATOM 0 HD2 ARG A 75 5.199 -18.057 -3.422 1.00 10.00 H new ATOM 0 HD3 ARG A 75 4.439 -19.337 -2.497 1.00 10.00 H new ATOM 0 HE ARG A 75 2.644 -19.346 -3.975 1.00 10.00 H new ATOM 0 HH11 ARG A 75 4.456 -16.320 -4.427 1.00 10.00 H new ATOM 0 HH12 ARG A 75 3.539 -15.864 -5.867 1.00 10.00 H new ATOM 0 HH21 ARG A 75 1.486 -18.752 -5.815 1.00 10.00 H new ATOM 0 HH22 ARG A 75 1.857 -17.242 -6.653 1.00 10.00 H new ATOM 1086 N VAL A 76 5.862 -14.263 -0.572 1.00 10.00 N ATOM 1087 CA VAL A 76 6.155 -12.972 -1.171 1.00 10.00 C ATOM 1088 C VAL A 76 7.201 -13.188 -2.264 1.00 10.00 C ATOM 1089 O VAL A 76 7.923 -14.186 -2.240 1.00 10.00 O ATOM 1090 CB VAL A 76 6.640 -11.973 -0.103 1.00 10.00 C ATOM 1091 CG1 VAL A 76 5.520 -11.658 0.897 1.00 10.00 C ATOM 1092 CG2 VAL A 76 7.876 -12.472 0.660 1.00 10.00 C ATOM 0 H VAL A 76 6.704 -14.769 -0.298 1.00 10.00 H new ATOM 0 HA VAL A 76 5.255 -12.542 -1.611 1.00 10.00 H new ATOM 0 HB VAL A 76 6.923 -11.068 -0.640 1.00 10.00 H new ATOM 0 HG11 VAL A 76 5.885 -10.951 1.642 1.00 10.00 H new ATOM 0 HG12 VAL A 76 4.672 -11.223 0.368 1.00 10.00 H new ATOM 0 HG13 VAL A 76 5.206 -12.577 1.393 1.00 10.00 H new ATOM 0 HG21 VAL A 76 8.173 -11.728 1.399 1.00 10.00 H new ATOM 0 HG22 VAL A 76 7.639 -13.409 1.164 1.00 10.00 H new ATOM 0 HG23 VAL A 76 8.695 -12.634 -0.041 1.00 10.00 H new ATOM 1102 N GLU A 77 7.279 -12.257 -3.220 1.00 10.00 N ATOM 1103 CA GLU A 77 8.229 -12.302 -4.318 1.00 10.00 C ATOM 1104 C GLU A 77 9.360 -11.317 -4.040 1.00 10.00 C ATOM 1105 O GLU A 77 9.117 -10.132 -3.818 1.00 10.00 O ATOM 1106 CB GLU A 77 7.522 -11.946 -5.633 1.00 10.00 C ATOM 1107 CG GLU A 77 8.464 -12.099 -6.838 1.00 10.00 C ATOM 1108 CD GLU A 77 7.796 -11.632 -8.126 1.00 10.00 C ATOM 1109 OE1 GLU A 77 6.909 -12.369 -8.607 1.00 10.00 O ATOM 1110 OE2 GLU A 77 8.192 -10.545 -8.601 1.00 10.00 O ATOM 0 H GLU A 77 6.670 -11.440 -3.246 1.00 10.00 H new ATOM 0 HA GLU A 77 8.642 -13.307 -4.408 1.00 10.00 H new ATOM 0 HB2 GLU A 77 6.652 -12.590 -5.766 1.00 10.00 H new ATOM 0 HB3 GLU A 77 7.155 -10.921 -5.584 1.00 10.00 H new ATOM 0 HG2 GLU A 77 9.373 -11.522 -6.667 1.00 10.00 H new ATOM 0 HG3 GLU A 77 8.763 -13.142 -6.938 1.00 10.00 H new ATOM 1117 N ARG A 78 10.601 -11.796 -4.100 1.00 10.00 N ATOM 1118 CA ARG A 78 11.799 -10.986 -3.953 1.00 10.00 C ATOM 1119 C ARG A 78 12.020 -10.232 -5.272 1.00 10.00 C ATOM 1120 O ARG A 78 12.999 -10.457 -5.976 1.00 10.00 O ATOM 1121 CB ARG A 78 12.956 -11.930 -3.592 1.00 10.00 C ATOM 1122 CG ARG A 78 14.261 -11.205 -3.245 1.00 10.00 C ATOM 1123 CD ARG A 78 15.309 -12.225 -2.785 1.00 10.00 C ATOM 1124 NE ARG A 78 16.660 -11.653 -2.804 1.00 10.00 N ATOM 1125 CZ ARG A 78 17.401 -11.501 -3.912 1.00 10.00 C ATOM 1126 NH1 ARG A 78 16.953 -11.891 -5.109 1.00 10.00 N ATOM 1127 NH2 ARG A 78 18.606 -10.932 -3.842 1.00 10.00 N ATOM 0 H ARG A 78 10.802 -12.784 -4.256 1.00 10.00 H new ATOM 0 HA ARG A 78 11.719 -10.242 -3.160 1.00 10.00 H new ATOM 0 HB2 ARG A 78 12.658 -12.547 -2.745 1.00 10.00 H new ATOM 0 HB3 ARG A 78 13.137 -12.604 -4.429 1.00 10.00 H new ATOM 0 HG2 ARG A 78 14.627 -10.659 -4.114 1.00 10.00 H new ATOM 0 HG3 ARG A 78 14.083 -10.471 -2.459 1.00 10.00 H new ATOM 0 HD2 ARG A 78 15.070 -12.564 -1.777 1.00 10.00 H new ATOM 0 HD3 ARG A 78 15.274 -13.101 -3.433 1.00 10.00 H new ATOM 0 HE ARG A 78 17.062 -11.351 -1.917 1.00 10.00 H new ATOM 0 HH11 ARG A 78 16.029 -12.315 -5.194 1.00 10.00 H new ATOM 0 HH12 ARG A 78 17.535 -11.765 -5.937 1.00 10.00 H new ATOM 0 HH21 ARG A 78 18.967 -10.611 -2.944 1.00 10.00 H new ATOM 0 HH22 ARG A 78 19.166 -10.818 -4.687 1.00 10.00 H new ATOM 1141 N SER A 79 11.080 -9.361 -5.644 1.00 10.00 N ATOM 1142 CA SER A 79 11.126 -8.618 -6.893 1.00 10.00 C ATOM 1143 C SER A 79 12.392 -7.764 -6.974 1.00 10.00 C ATOM 1144 O SER A 79 12.362 -6.573 -6.666 1.00 10.00 O ATOM 1145 CB SER A 79 9.855 -7.767 -6.995 1.00 10.00 C ATOM 1146 OG SER A 79 8.720 -8.579 -6.764 1.00 10.00 O ATOM 0 H SER A 79 10.258 -9.153 -5.076 1.00 10.00 H new ATOM 0 HA SER A 79 11.164 -9.306 -7.737 1.00 10.00 H new ATOM 0 HB2 SER A 79 9.889 -6.956 -6.267 1.00 10.00 H new ATOM 0 HB3 SER A 79 9.791 -7.307 -7.981 1.00 10.00 H new ATOM 0 HG SER A 79 8.691 -9.297 -7.430 1.00 10.00 H new TER 1152 SER A 79 HETATM 1153 ZN ZN A 80 2.118 -13.493 5.309 1.00 10.00 ZN HETATM 1154 ZN ZN A 81 -11.067 -28.079 3.758 1.00 10.00 ZN