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= 0.626 K(o=2.8,f=1.3) USER MOD Set 1.2: A 41 GLN : amide:sc= 1.44 K(o=2.8,f=-2.9!) USER MOD Set 1.3: A 50 GLN : amide:sc= 0.716 K(o=2.8,f=-0.029) USER MOD Set 2.1: A 33 THR OG1 : rot 150:sc= 1.39 USER MOD Set 2.2: A 55 HIS : no HD1:sc= 1 K(o=2.4,f=-5.5!) USER MOD Set 3.1: A 1 GLY N :NH3+ -152:sc= 0.91 (180deg=0) USER MOD Set 3.2: A 3 THR OG1 : rot 180:sc= 0.813 USER MOD Single : A 4 LYS NZ :NH3+ -124:sc= -0.152 (180deg=-1.05) USER MOD Single : A 10 THR OG1 : rot 69:sc= 0.895 USER MOD Single : A 18 HIS : no HE2:sc= 0.556 K(o=0.56,f=-2.9!) USER MOD Single : A 20 SER OG : rot -65:sc= 1.71 USER MOD Single : A 23 LYS NZ :NH3+ 176:sc= -0.0486 (180deg=-0.0864) USER MOD Single : A 26 THR OG1 : rot 68:sc= 0.749 USER MOD Single : A 27 GLN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.0378 K(o=-0.038,f=-1.2) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0544 USER MOD Single : A 35 HIS : no HE2:sc= 1.09 K(o=1.1,f=-3.7!) USER MOD Single : A 37 SER OG : rot 87:sc= 0.985 USER MOD Single : A 42 MET CE :methyl 173:sc= 0 (180deg=-0.049) USER MOD Single : A 44 GLN : amide:sc= 0.566 K(o=0.57,f=-11!) USER MOD Single : A 51 GLN : amide:sc= -0.378 K(o=-0.38,f=-1.2) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0172 USER MOD Single : A 57 GLN : amide:sc= 1.1 K(o=1.1,f=-0.011) USER MOD Single : A 61 THR OG1 : rot -61:sc= 0.594 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0.0684 K(o=0.068,f=-4.8!) USER MOD Single : A 69 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0369) USER MOD Single : A 71 HIS : no HE2:sc= 0.335 K(o=0.33,f=-2.8!) USER MOD Single : A 73 HIS : no HE2:sc= 0.252 K(o=0.25,f=-3.1!) USER MOD Single : A 79 SER OG : rot 86:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.230 -12.636 -2.684 1.00 10.00 N ATOM 2 CA GLY A 1 25.200 -11.844 -3.418 1.00 10.00 C ATOM 3 C GLY A 1 24.674 -11.620 -4.829 1.00 10.00 C ATOM 4 O GLY A 1 24.202 -10.535 -5.157 1.00 10.00 O ATOM 0 H1 GLY A 1 24.298 -12.416 -1.670 1.00 10.00 H new ATOM 0 H2 GLY A 1 23.272 -12.414 -3.023 1.00 10.00 H new ATOM 0 H3 GLY A 1 24.424 -13.647 -2.832 1.00 10.00 H new ATOM 0 HA2 GLY A 1 25.364 -10.889 -2.919 1.00 10.00 H new ATOM 0 HA3 GLY A 1 26.161 -12.357 -3.449 1.00 10.00 H new ATOM 8 N VAL A 2 24.698 -12.676 -5.650 1.00 10.00 N ATOM 9 CA VAL A 2 24.161 -12.641 -7.008 1.00 10.00 C ATOM 10 C VAL A 2 22.707 -12.154 -6.990 1.00 10.00 C ATOM 11 O VAL A 2 22.271 -11.460 -7.908 1.00 10.00 O ATOM 12 CB VAL A 2 24.307 -14.011 -7.696 1.00 10.00 C ATOM 13 CG1 VAL A 2 25.787 -14.386 -7.842 1.00 10.00 C ATOM 14 CG2 VAL A 2 23.561 -15.139 -6.967 1.00 10.00 C ATOM 0 H VAL A 2 25.092 -13.579 -5.387 1.00 10.00 H new ATOM 0 HA VAL A 2 24.740 -11.930 -7.598 1.00 10.00 H new ATOM 0 HB VAL A 2 23.849 -13.905 -8.679 1.00 10.00 H new ATOM 0 HG11 VAL A 2 25.870 -15.357 -8.330 1.00 10.00 H new ATOM 0 HG12 VAL A 2 26.296 -13.633 -8.444 1.00 10.00 H new ATOM 0 HG13 VAL A 2 26.249 -14.435 -6.856 1.00 10.00 H new ATOM 0 HG21 VAL A 2 23.705 -16.077 -7.504 1.00 10.00 H new ATOM 0 HG22 VAL A 2 23.951 -15.237 -5.954 1.00 10.00 H new ATOM 0 HG23 VAL A 2 22.497 -14.904 -6.926 1.00 10.00 H new ATOM 24 N THR A 3 21.988 -12.470 -5.909 1.00 10.00 N ATOM 25 CA THR A 3 20.627 -12.054 -5.618 1.00 10.00 C ATOM 26 C THR A 3 20.442 -10.545 -5.808 1.00 10.00 C ATOM 27 O THR A 3 19.372 -10.106 -6.221 1.00 10.00 O ATOM 28 CB THR A 3 20.315 -12.476 -4.175 1.00 10.00 C ATOM 29 OG1 THR A 3 21.435 -12.210 -3.345 1.00 10.00 O ATOM 30 CG2 THR A 3 20.031 -13.979 -4.099 1.00 10.00 C ATOM 0 H THR A 3 22.372 -13.061 -5.172 1.00 10.00 H new ATOM 0 HA THR A 3 19.936 -12.532 -6.312 1.00 10.00 H new ATOM 0 HB THR A 3 19.441 -11.914 -3.845 1.00 10.00 H new ATOM 0 HG1 THR A 3 21.231 -12.479 -2.425 1.00 10.00 H new ATOM 0 HG21 THR A 3 19.812 -14.256 -3.068 1.00 10.00 H new ATOM 0 HG22 THR A 3 19.175 -14.220 -4.729 1.00 10.00 H new ATOM 0 HG23 THR A 3 20.904 -14.532 -4.446 1.00 10.00 H new ATOM 38 N LYS A 4 21.473 -9.743 -5.521 1.00 10.00 N ATOM 39 CA LYS A 4 21.422 -8.297 -5.694 1.00 10.00 C ATOM 40 C LYS A 4 21.327 -7.924 -7.176 1.00 10.00 C ATOM 41 O LYS A 4 20.754 -6.893 -7.517 1.00 10.00 O ATOM 42 CB LYS A 4 22.689 -7.666 -5.106 1.00 10.00 C ATOM 43 CG LYS A 4 22.826 -7.879 -3.594 1.00 10.00 C ATOM 44 CD LYS A 4 24.231 -7.526 -3.083 1.00 10.00 C ATOM 45 CE LYS A 4 24.673 -6.089 -3.406 1.00 10.00 C ATOM 46 NZ LYS A 4 25.284 -5.974 -4.745 1.00 10.00 N ATOM 0 H LYS A 4 22.365 -10.084 -5.162 1.00 10.00 H new ATOM 0 HA LYS A 4 20.537 -7.924 -5.179 1.00 10.00 H new ATOM 0 HB2 LYS A 4 23.562 -8.086 -5.606 1.00 10.00 H new ATOM 0 HB3 LYS A 4 22.685 -6.597 -5.317 1.00 10.00 H new ATOM 0 HG2 LYS A 4 22.088 -7.268 -3.074 1.00 10.00 H new ATOM 0 HG3 LYS A 4 22.605 -8.919 -3.354 1.00 10.00 H new ATOM 0 HD2 LYS A 4 24.260 -7.670 -2.003 1.00 10.00 H new ATOM 0 HD3 LYS A 4 24.949 -8.222 -3.517 1.00 10.00 H new ATOM 0 HE2 LYS A 4 23.811 -5.425 -3.345 1.00 10.00 H new ATOM 0 HE3 LYS A 4 25.387 -5.754 -2.654 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 26.235 -5.563 -4.658 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 25.352 -6.917 -5.178 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 24.695 -5.360 -5.344 1.00 10.00 H new ATOM 60 N GLU A 5 21.911 -8.746 -8.051 1.00 10.00 N ATOM 61 CA GLU A 5 21.965 -8.507 -9.482 1.00 10.00 C ATOM 62 C GLU A 5 20.758 -9.102 -10.189 1.00 10.00 C ATOM 63 O GLU A 5 20.002 -8.425 -10.886 1.00 10.00 O ATOM 64 CB GLU A 5 23.296 -9.031 -10.048 1.00 10.00 C ATOM 65 CG GLU A 5 24.512 -8.621 -9.199 1.00 10.00 C ATOM 66 CD GLU A 5 24.565 -7.119 -8.925 1.00 10.00 C ATOM 67 OE1 GLU A 5 24.595 -6.363 -9.920 1.00 10.00 O ATOM 68 OE2 GLU A 5 24.579 -6.756 -7.729 1.00 10.00 O ATOM 0 H GLU A 5 22.368 -9.614 -7.771 1.00 10.00 H new ATOM 0 HA GLU A 5 21.924 -7.433 -9.665 1.00 10.00 H new ATOM 0 HB2 GLU A 5 23.254 -10.118 -10.112 1.00 10.00 H new ATOM 0 HB3 GLU A 5 23.426 -8.656 -11.063 1.00 10.00 H new ATOM 0 HG2 GLU A 5 24.484 -9.158 -8.251 1.00 10.00 H new ATOM 0 HG3 GLU A 5 25.425 -8.925 -9.711 1.00 10.00 H new ATOM 75 N ILE A 6 20.588 -10.398 -9.989 1.00 10.00 N ATOM 76 CA ILE A 6 19.502 -11.161 -10.588 1.00 10.00 C ATOM 77 C ILE A 6 18.188 -10.886 -9.852 1.00 10.00 C ATOM 78 O ILE A 6 17.667 -11.752 -9.146 1.00 10.00 O ATOM 79 CB ILE A 6 19.842 -12.660 -10.719 1.00 10.00 C ATOM 80 CG1 ILE A 6 20.298 -13.317 -9.406 1.00 10.00 C ATOM 81 CG2 ILE A 6 20.916 -12.863 -11.796 1.00 10.00 C ATOM 82 CD1 ILE A 6 19.860 -14.781 -9.326 1.00 10.00 C ATOM 0 H ILE A 6 21.205 -10.957 -9.400 1.00 10.00 H new ATOM 0 HA ILE A 6 19.365 -10.820 -11.614 1.00 10.00 H new ATOM 0 HB ILE A 6 18.913 -13.153 -11.003 1.00 10.00 H new ATOM 0 HG12 ILE A 6 21.383 -13.257 -9.326 1.00 10.00 H new ATOM 0 HG13 ILE A 6 19.885 -12.767 -8.561 1.00 10.00 H new ATOM 0 HG21 ILE A 6 21.150 -13.924 -11.881 1.00 10.00 H new ATOM 0 HG22 ILE A 6 20.546 -12.495 -12.753 1.00 10.00 H new ATOM 0 HG23 ILE A 6 21.816 -12.314 -11.520 1.00 10.00 H new ATOM 0 HD11 ILE A 6 20.200 -15.212 -8.384 1.00 10.00 H new ATOM 0 HD12 ILE A 6 18.773 -14.839 -9.380 1.00 10.00 H new ATOM 0 HD13 ILE A 6 20.294 -15.337 -10.157 1.00 10.00 H new ATOM 94 N ARG A 7 17.638 -9.680 -10.030 1.00 10.00 N ATOM 95 CA ARG A 7 16.375 -9.249 -9.434 1.00 10.00 C ATOM 96 C ARG A 7 15.172 -9.930 -10.105 1.00 10.00 C ATOM 97 O ARG A 7 14.269 -9.272 -10.618 1.00 10.00 O ATOM 98 CB ARG A 7 16.248 -7.716 -9.488 1.00 10.00 C ATOM 99 CG ARG A 7 17.374 -6.956 -8.770 1.00 10.00 C ATOM 100 CD ARG A 7 17.622 -7.451 -7.342 1.00 10.00 C ATOM 101 NE ARG A 7 16.390 -7.481 -6.541 1.00 10.00 N ATOM 102 CZ ARG A 7 16.188 -8.248 -5.459 1.00 10.00 C ATOM 103 NH1 ARG A 7 17.113 -9.117 -5.038 1.00 10.00 N ATOM 104 NH2 ARG A 7 15.040 -8.150 -4.786 1.00 10.00 N ATOM 0 H ARG A 7 18.072 -8.960 -10.608 1.00 10.00 H new ATOM 0 HA ARG A 7 16.376 -9.556 -8.388 1.00 10.00 H new ATOM 0 HB2 ARG A 7 16.224 -7.403 -10.532 1.00 10.00 H new ATOM 0 HB3 ARG A 7 15.294 -7.428 -9.047 1.00 10.00 H new ATOM 0 HG2 ARG A 7 18.294 -7.054 -9.346 1.00 10.00 H new ATOM 0 HG3 ARG A 7 17.127 -5.895 -8.742 1.00 10.00 H new ATOM 0 HD2 ARG A 7 18.055 -8.451 -7.376 1.00 10.00 H new ATOM 0 HD3 ARG A 7 18.353 -6.804 -6.857 1.00 10.00 H new ATOM 0 HE ARG A 7 15.627 -6.869 -6.831 1.00 10.00 H new ATOM 0 HH11 ARG A 7 17.995 -9.207 -5.542 1.00 10.00 H new ATOM 0 HH12 ARG A 7 16.937 -9.690 -4.212 1.00 10.00 H new ATOM 0 HH21 ARG A 7 14.322 -7.495 -5.095 1.00 10.00 H new ATOM 0 HH22 ARG A 7 14.880 -8.730 -3.963 1.00 10.00 H new ATOM 118 N ILE A 8 15.146 -11.260 -10.077 1.00 10.00 N ATOM 119 CA ILE A 8 14.065 -12.078 -10.599 1.00 10.00 C ATOM 120 C ILE A 8 12.948 -12.021 -9.550 1.00 10.00 C ATOM 121 O ILE A 8 13.269 -12.097 -8.360 1.00 10.00 O ATOM 122 CB ILE A 8 14.596 -13.515 -10.800 1.00 10.00 C ATOM 123 CG1 ILE A 8 15.715 -13.517 -11.861 1.00 10.00 C ATOM 124 CG2 ILE A 8 13.487 -14.503 -11.197 1.00 10.00 C ATOM 125 CD1 ILE A 8 16.409 -14.875 -11.998 1.00 10.00 C ATOM 0 H ILE A 8 15.904 -11.812 -9.676 1.00 10.00 H new ATOM 0 HA ILE A 8 13.687 -11.731 -11.560 1.00 10.00 H new ATOM 0 HB ILE A 8 14.994 -13.851 -9.842 1.00 10.00 H new ATOM 0 HG12 ILE A 8 15.294 -13.232 -12.825 1.00 10.00 H new ATOM 0 HG13 ILE A 8 16.456 -12.761 -11.601 1.00 10.00 H new ATOM 0 HG21 ILE A 8 13.915 -15.497 -11.326 1.00 10.00 H new ATOM 0 HG22 ILE A 8 12.729 -14.532 -10.415 1.00 10.00 H new ATOM 0 HG23 ILE A 8 13.030 -14.181 -12.133 1.00 10.00 H new ATOM 0 HD11 ILE A 8 17.186 -14.811 -12.760 1.00 10.00 H new ATOM 0 HD12 ILE A 8 16.858 -15.152 -11.044 1.00 10.00 H new ATOM 0 HD13 ILE A 8 15.678 -15.630 -12.288 1.00 10.00 H new ATOM 137 N PRO A 9 11.663 -11.900 -9.939 1.00 10.00 N ATOM 138 CA PRO A 9 10.536 -11.868 -9.012 1.00 10.00 C ATOM 139 C PRO A 9 10.391 -13.234 -8.327 1.00 10.00 C ATOM 140 O PRO A 9 9.532 -14.044 -8.666 1.00 10.00 O ATOM 141 CB PRO A 9 9.318 -11.480 -9.857 1.00 10.00 C ATOM 142 CG PRO A 9 9.679 -12.014 -11.241 1.00 10.00 C ATOM 143 CD PRO A 9 11.189 -11.791 -11.310 1.00 10.00 C ATOM 0 HA PRO A 9 10.664 -11.148 -8.203 1.00 10.00 H new ATOM 0 HB2 PRO A 9 8.402 -11.931 -9.476 1.00 10.00 H new ATOM 0 HB3 PRO A 9 9.161 -10.401 -9.868 1.00 10.00 H new ATOM 0 HG2 PRO A 9 9.421 -13.068 -11.347 1.00 10.00 H new ATOM 0 HG3 PRO A 9 9.155 -11.476 -12.031 1.00 10.00 H new ATOM 0 HD2 PRO A 9 11.666 -12.533 -11.950 1.00 10.00 H new ATOM 0 HD3 PRO A 9 11.422 -10.812 -11.729 1.00 10.00 H new ATOM 151 N THR A 10 11.273 -13.485 -7.365 1.00 10.00 N ATOM 152 CA THR A 10 11.396 -14.721 -6.624 1.00 10.00 C ATOM 153 C THR A 10 10.459 -14.674 -5.422 1.00 10.00 C ATOM 154 O THR A 10 10.770 -14.030 -4.420 1.00 10.00 O ATOM 155 CB THR A 10 12.870 -14.889 -6.215 1.00 10.00 C ATOM 156 OG1 THR A 10 13.710 -14.682 -7.337 1.00 10.00 O ATOM 157 CG2 THR A 10 13.145 -16.288 -5.660 1.00 10.00 C ATOM 0 H THR A 10 11.956 -12.788 -7.070 1.00 10.00 H new ATOM 0 HA THR A 10 11.109 -15.583 -7.226 1.00 10.00 H new ATOM 0 HB THR A 10 13.077 -14.153 -5.439 1.00 10.00 H new ATOM 0 HG1 THR A 10 13.678 -13.738 -7.600 1.00 10.00 H new ATOM 0 HG21 THR A 10 14.196 -16.369 -5.382 1.00 10.00 H new ATOM 0 HG22 THR A 10 12.523 -16.460 -4.782 1.00 10.00 H new ATOM 0 HG23 THR A 10 12.912 -17.033 -6.421 1.00 10.00 H new ATOM 165 N LEU A 11 9.310 -15.348 -5.518 1.00 10.00 N ATOM 166 CA LEU A 11 8.353 -15.420 -4.426 1.00 10.00 C ATOM 167 C LEU A 11 8.826 -16.479 -3.430 1.00 10.00 C ATOM 168 O LEU A 11 8.975 -17.645 -3.795 1.00 10.00 O ATOM 169 CB LEU A 11 6.949 -15.734 -4.948 1.00 10.00 C ATOM 170 CG LEU A 11 6.420 -14.740 -5.990 1.00 10.00 C ATOM 171 CD1 LEU A 11 4.947 -15.069 -6.241 1.00 10.00 C ATOM 172 CD2 LEU A 11 6.540 -13.282 -5.533 1.00 10.00 C ATOM 0 H LEU A 11 9.023 -15.856 -6.355 1.00 10.00 H new ATOM 0 HA LEU A 11 8.296 -14.454 -3.924 1.00 10.00 H new ATOM 0 HB2 LEU A 11 6.953 -16.732 -5.386 1.00 10.00 H new ATOM 0 HB3 LEU A 11 6.259 -15.759 -4.105 1.00 10.00 H new ATOM 0 HG LEU A 11 7.020 -14.838 -6.895 1.00 10.00 H new ATOM 0 HD11 LEU A 11 4.541 -14.378 -6.979 1.00 10.00 H new ATOM 0 HD12 LEU A 11 4.860 -16.090 -6.613 1.00 10.00 H new ATOM 0 HD13 LEU A 11 4.389 -14.974 -5.309 1.00 10.00 H new ATOM 0 HD21 LEU A 11 6.151 -12.624 -6.310 1.00 10.00 H new ATOM 0 HD22 LEU A 11 5.968 -13.140 -4.616 1.00 10.00 H new ATOM 0 HD23 LEU A 11 7.587 -13.044 -5.347 1.00 10.00 H new ATOM 184 N GLU A 12 9.066 -16.071 -2.184 1.00 10.00 N ATOM 185 CA GLU A 12 9.563 -16.900 -1.096 1.00 10.00 C ATOM 186 C GLU A 12 8.563 -16.917 0.060 1.00 10.00 C ATOM 187 O GLU A 12 7.750 -16.005 0.197 1.00 10.00 O ATOM 188 CB GLU A 12 10.916 -16.351 -0.631 1.00 10.00 C ATOM 189 CG GLU A 12 11.941 -16.400 -1.776 1.00 10.00 C ATOM 190 CD GLU A 12 13.344 -15.990 -1.343 1.00 10.00 C ATOM 191 OE1 GLU A 12 13.476 -15.459 -0.219 1.00 10.00 O ATOM 192 OE2 GLU A 12 14.267 -16.206 -2.160 1.00 10.00 O ATOM 0 H GLU A 12 8.910 -15.105 -1.896 1.00 10.00 H new ATOM 0 HA GLU A 12 9.689 -17.925 -1.445 1.00 10.00 H new ATOM 0 HB2 GLU A 12 10.798 -15.324 -0.284 1.00 10.00 H new ATOM 0 HB3 GLU A 12 11.280 -16.934 0.215 1.00 10.00 H new ATOM 0 HG2 GLU A 12 11.974 -17.411 -2.183 1.00 10.00 H new ATOM 0 HG3 GLU A 12 11.609 -15.743 -2.580 1.00 10.00 H new ATOM 199 N GLU A 13 8.630 -17.971 0.880 1.00 10.00 N ATOM 200 CA GLU A 13 7.746 -18.198 2.016 1.00 10.00 C ATOM 201 C GLU A 13 7.637 -16.963 2.917 1.00 10.00 C ATOM 202 O GLU A 13 8.648 -16.419 3.362 1.00 10.00 O ATOM 203 CB GLU A 13 8.264 -19.401 2.820 1.00 10.00 C ATOM 204 CG GLU A 13 7.214 -19.878 3.831 1.00 10.00 C ATOM 205 CD GLU A 13 7.739 -20.969 4.761 1.00 10.00 C ATOM 206 OE1 GLU A 13 8.359 -21.918 4.233 1.00 10.00 O ATOM 207 OE2 GLU A 13 7.503 -20.837 5.983 1.00 10.00 O ATOM 0 H GLU A 13 9.324 -18.709 0.763 1.00 10.00 H new ATOM 0 HA GLU A 13 6.745 -18.403 1.636 1.00 10.00 H new ATOM 0 HB2 GLU A 13 8.517 -20.215 2.141 1.00 10.00 H new ATOM 0 HB3 GLU A 13 9.180 -19.126 3.343 1.00 10.00 H new ATOM 0 HG2 GLU A 13 6.879 -19.029 4.427 1.00 10.00 H new ATOM 0 HG3 GLU A 13 6.343 -20.254 3.293 1.00 10.00 H new ATOM 214 N CYS A 14 6.407 -16.545 3.229 1.00 10.00 N ATOM 215 CA CYS A 14 6.177 -15.424 4.121 1.00 10.00 C ATOM 216 C CYS A 14 6.395 -15.889 5.563 1.00 10.00 C ATOM 217 O CYS A 14 5.461 -16.337 6.234 1.00 10.00 O ATOM 218 CB CYS A 14 4.772 -14.855 3.923 1.00 10.00 C ATOM 219 SG CYS A 14 4.473 -13.321 4.845 1.00 10.00 S ATOM 0 H CYS A 14 5.555 -16.975 2.870 1.00 10.00 H new ATOM 0 HA CYS A 14 6.881 -14.622 3.896 1.00 10.00 H new ATOM 0 HB2 CYS A 14 4.611 -14.668 2.861 1.00 10.00 H new ATOM 0 HB3 CYS A 14 4.040 -15.602 4.230 1.00 10.00 H new ATOM 224 N ASP A 15 7.638 -15.775 6.034 1.00 10.00 N ATOM 225 CA ASP A 15 8.052 -16.133 7.388 1.00 10.00 C ATOM 226 C ASP A 15 7.116 -15.523 8.436 1.00 10.00 C ATOM 227 O ASP A 15 6.786 -16.172 9.425 1.00 10.00 O ATOM 228 CB ASP A 15 9.508 -15.703 7.630 1.00 10.00 C ATOM 229 CG ASP A 15 9.671 -14.187 7.710 1.00 10.00 C ATOM 230 OD1 ASP A 15 9.292 -13.523 6.720 1.00 10.00 O ATOM 231 OD2 ASP A 15 10.144 -13.717 8.767 1.00 10.00 O ATOM 0 H ASP A 15 8.406 -15.420 5.465 1.00 10.00 H new ATOM 0 HA ASP A 15 7.990 -17.217 7.488 1.00 10.00 H new ATOM 0 HB2 ASP A 15 9.865 -16.152 8.557 1.00 10.00 H new ATOM 0 HB3 ASP A 15 10.135 -16.089 6.826 1.00 10.00 H new ATOM 236 N VAL A 16 6.660 -14.290 8.195 1.00 10.00 N ATOM 237 CA VAL A 16 5.738 -13.550 9.052 1.00 10.00 C ATOM 238 C VAL A 16 4.490 -14.374 9.412 1.00 10.00 C ATOM 239 O VAL A 16 3.961 -14.218 10.511 1.00 10.00 O ATOM 240 CB VAL A 16 5.409 -12.203 8.380 1.00 10.00 C ATOM 241 CG1 VAL A 16 4.423 -11.370 9.201 1.00 10.00 C ATOM 242 CG2 VAL A 16 6.687 -11.372 8.184 1.00 10.00 C ATOM 0 H VAL A 16 6.935 -13.763 7.366 1.00 10.00 H new ATOM 0 HA VAL A 16 6.216 -13.346 10.010 1.00 10.00 H new ATOM 0 HB VAL A 16 4.954 -12.443 7.419 1.00 10.00 H new ATOM 0 HG11 VAL A 16 4.223 -10.431 8.686 1.00 10.00 H new ATOM 0 HG12 VAL A 16 3.492 -11.923 9.322 1.00 10.00 H new ATOM 0 HG13 VAL A 16 4.851 -11.162 10.182 1.00 10.00 H new ATOM 0 HG21 VAL A 16 6.435 -10.424 7.708 1.00 10.00 H new ATOM 0 HG22 VAL A 16 7.149 -11.180 9.153 1.00 10.00 H new ATOM 0 HG23 VAL A 16 7.385 -11.921 7.552 1.00 10.00 H new ATOM 252 N CYS A 17 4.039 -15.268 8.521 1.00 10.00 N ATOM 253 CA CYS A 17 2.919 -16.173 8.778 1.00 10.00 C ATOM 254 C CYS A 17 3.362 -17.629 8.586 1.00 10.00 C ATOM 255 O CYS A 17 2.537 -18.501 8.315 1.00 10.00 O ATOM 256 CB CYS A 17 1.753 -15.829 7.853 1.00 10.00 C ATOM 257 SG CYS A 17 2.088 -15.891 6.085 1.00 10.00 S ATOM 0 H CYS A 17 4.448 -15.381 7.594 1.00 10.00 H new ATOM 0 HA CYS A 17 2.588 -16.053 9.809 1.00 10.00 H new ATOM 0 HB2 CYS A 17 0.932 -16.513 8.069 1.00 10.00 H new ATOM 0 HB3 CYS A 17 1.406 -14.826 8.100 1.00 10.00 H new ATOM 262 N HIS A 18 4.667 -17.892 8.692 1.00 10.00 N ATOM 263 CA HIS A 18 5.288 -19.195 8.495 1.00 10.00 C ATOM 264 C HIS A 18 4.739 -19.889 7.239 1.00 10.00 C ATOM 265 O HIS A 18 4.468 -21.089 7.236 1.00 10.00 O ATOM 266 CB HIS A 18 5.170 -20.034 9.777 1.00 10.00 C ATOM 267 CG HIS A 18 6.154 -21.178 9.842 1.00 10.00 C ATOM 268 ND1 HIS A 18 6.334 -22.140 8.876 1.00 10.00 N ATOM 269 CD2 HIS A 18 7.060 -21.422 10.839 1.00 10.00 C ATOM 270 CE1 HIS A 18 7.328 -22.947 9.282 1.00 10.00 C ATOM 271 NE2 HIS A 18 7.801 -22.551 10.476 1.00 10.00 N ATOM 0 H HIS A 18 5.345 -17.168 8.928 1.00 10.00 H new ATOM 0 HA HIS A 18 6.354 -19.067 8.307 1.00 10.00 H new ATOM 0 HB2 HIS A 18 5.321 -19.386 10.641 1.00 10.00 H new ATOM 0 HB3 HIS A 18 4.158 -20.432 9.850 1.00 10.00 H new ATOM 0 HD1 HIS A 18 5.807 -22.225 8.007 1.00 10.00 H new ATOM 0 HD2 HIS A 18 7.181 -20.845 11.744 1.00 10.00 H new ATOM 0 HE1 HIS A 18 7.696 -23.796 8.726 1.00 10.00 H new ATOM 279 N GLY A 19 4.563 -19.127 6.157 1.00 10.00 N ATOM 280 CA GLY A 19 4.079 -19.672 4.897 1.00 10.00 C ATOM 281 C GLY A 19 2.593 -20.034 4.855 1.00 10.00 C ATOM 282 O GLY A 19 2.103 -20.426 3.797 1.00 10.00 O ATOM 0 H GLY A 19 4.751 -18.125 6.134 1.00 10.00 H new ATOM 0 HA2 GLY A 19 4.279 -18.947 4.108 1.00 10.00 H new ATOM 0 HA3 GLY A 19 4.658 -20.565 4.663 1.00 10.00 H new ATOM 286 N SER A 20 1.852 -19.925 5.963 1.00 10.00 N ATOM 287 CA SER A 20 0.439 -20.273 5.942 1.00 10.00 C ATOM 288 C SER A 20 -0.333 -19.190 5.191 1.00 10.00 C ATOM 289 O SER A 20 -0.876 -19.401 4.112 1.00 10.00 O ATOM 290 CB SER A 20 -0.101 -20.470 7.371 1.00 10.00 C ATOM 291 OG SER A 20 -0.038 -19.286 8.154 1.00 10.00 O ATOM 0 H SER A 20 2.204 -19.605 6.865 1.00 10.00 H new ATOM 0 HA SER A 20 0.306 -21.221 5.421 1.00 10.00 H new ATOM 0 HB2 SER A 20 -1.135 -20.811 7.319 1.00 10.00 H new ATOM 0 HB3 SER A 20 0.470 -21.257 7.864 1.00 10.00 H new ATOM 0 HG SER A 20 0.899 -19.033 8.290 1.00 10.00 H new ATOM 297 N GLY A 21 -0.388 -18.028 5.826 1.00 10.00 N ATOM 298 CA GLY A 21 -1.144 -16.861 5.425 1.00 10.00 C ATOM 299 C GLY A 21 -1.861 -16.284 6.648 1.00 10.00 C ATOM 300 O GLY A 21 -2.460 -15.221 6.541 1.00 10.00 O ATOM 0 H GLY A 21 0.130 -17.870 6.691 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -0.480 -16.114 4.991 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -1.869 -17.128 4.656 1.00 10.00 H new ATOM 304 N ALA A 22 -1.815 -16.960 7.806 1.00 10.00 N ATOM 305 CA ALA A 22 -2.444 -16.483 9.027 1.00 10.00 C ATOM 306 C ALA A 22 -1.606 -15.353 9.631 1.00 10.00 C ATOM 307 O ALA A 22 -0.397 -15.503 9.785 1.00 10.00 O ATOM 308 CB ALA A 22 -2.580 -17.654 9.997 1.00 10.00 C ATOM 0 H ALA A 22 -1.337 -17.855 7.913 1.00 10.00 H new ATOM 0 HA ALA A 22 -3.436 -16.085 8.815 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -3.051 -17.311 10.918 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -3.194 -18.432 9.544 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -1.592 -18.056 10.222 1.00 10.00 H new ATOM 314 N LYS A 23 -2.222 -14.209 9.933 1.00 10.00 N ATOM 315 CA LYS A 23 -1.531 -13.036 10.464 1.00 10.00 C ATOM 316 C LYS A 23 -0.660 -13.357 11.700 1.00 10.00 C ATOM 317 O LYS A 23 -0.919 -14.343 12.394 1.00 10.00 O ATOM 318 CB LYS A 23 -2.553 -11.912 10.710 1.00 10.00 C ATOM 319 CG LYS A 23 -3.480 -12.212 11.893 1.00 10.00 C ATOM 320 CD LYS A 23 -4.461 -11.066 12.175 1.00 10.00 C ATOM 321 CE LYS A 23 -3.976 -10.156 13.312 1.00 10.00 C ATOM 322 NZ LYS A 23 -2.660 -9.556 13.034 1.00 10.00 N ATOM 0 H LYS A 23 -3.226 -14.071 9.814 1.00 10.00 H new ATOM 0 HA LYS A 23 -0.815 -12.686 9.720 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -2.023 -10.978 10.895 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -3.152 -11.766 9.811 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -4.041 -13.124 11.689 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -2.879 -12.399 12.783 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -4.595 -10.474 11.270 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -5.436 -11.479 12.433 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -4.706 -9.363 13.474 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -3.921 -10.732 14.236 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -2.409 -8.899 13.800 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -1.942 -10.306 12.973 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -2.698 -9.039 12.133 1.00 10.00 H new ATOM 336 N PRO A 24 0.370 -12.537 11.991 1.00 10.00 N ATOM 337 CA PRO A 24 1.284 -12.728 13.110 1.00 10.00 C ATOM 338 C PRO A 24 0.627 -13.232 14.396 1.00 10.00 C ATOM 339 O PRO A 24 -0.411 -12.723 14.820 1.00 10.00 O ATOM 340 CB PRO A 24 1.945 -11.369 13.330 1.00 10.00 C ATOM 341 CG PRO A 24 2.068 -10.865 11.899 1.00 10.00 C ATOM 342 CD PRO A 24 0.768 -11.342 11.253 1.00 10.00 C ATOM 0 HA PRO A 24 1.995 -13.516 12.863 1.00 10.00 H new ATOM 0 HB2 PRO A 24 1.335 -10.710 13.947 1.00 10.00 H new ATOM 0 HB3 PRO A 24 2.915 -11.457 13.820 1.00 10.00 H new ATOM 0 HG2 PRO A 24 2.163 -9.780 11.860 1.00 10.00 H new ATOM 0 HG3 PRO A 24 2.943 -11.280 11.399 1.00 10.00 H new ATOM 0 HD2 PRO A 24 -0.002 -10.573 11.311 1.00 10.00 H new ATOM 0 HD3 PRO A 24 0.916 -11.566 10.197 1.00 10.00 H new ATOM 350 N GLY A 25 1.254 -14.240 15.010 1.00 10.00 N ATOM 351 CA GLY A 25 0.826 -14.851 16.261 1.00 10.00 C ATOM 352 C GLY A 25 -0.625 -15.334 16.267 1.00 10.00 C ATOM 353 O GLY A 25 -1.185 -15.528 17.344 1.00 10.00 O ATOM 0 H GLY A 25 2.102 -14.664 14.633 1.00 10.00 H new ATOM 0 HA2 GLY A 25 1.478 -15.697 16.479 1.00 10.00 H new ATOM 0 HA3 GLY A 25 0.959 -14.130 17.067 1.00 10.00 H new ATOM 357 N THR A 26 -1.234 -15.535 15.095 1.00 10.00 N ATOM 358 CA THR A 26 -2.612 -15.980 14.968 1.00 10.00 C ATOM 359 C THR A 26 -2.615 -17.221 14.077 1.00 10.00 C ATOM 360 O THR A 26 -1.858 -17.288 13.112 1.00 10.00 O ATOM 361 CB THR A 26 -3.444 -14.834 14.377 1.00 10.00 C ATOM 362 OG1 THR A 26 -3.117 -13.609 15.012 1.00 10.00 O ATOM 363 CG2 THR A 26 -4.944 -15.078 14.562 1.00 10.00 C ATOM 0 H THR A 26 -0.771 -15.389 14.198 1.00 10.00 H new ATOM 0 HA THR A 26 -3.053 -16.243 15.930 1.00 10.00 H new ATOM 0 HB THR A 26 -3.213 -14.787 13.313 1.00 10.00 H new ATOM 0 HG1 THR A 26 -2.203 -13.350 14.772 1.00 10.00 H new ATOM 0 HG21 THR A 26 -5.504 -14.247 14.132 1.00 10.00 H new ATOM 0 HG22 THR A 26 -5.227 -16.004 14.061 1.00 10.00 H new ATOM 0 HG23 THR A 26 -5.171 -15.157 15.625 1.00 10.00 H new ATOM 371 N GLN A 27 -3.445 -18.214 14.405 1.00 10.00 N ATOM 372 CA GLN A 27 -3.540 -19.448 13.639 1.00 10.00 C ATOM 373 C GLN A 27 -4.645 -19.336 12.585 1.00 10.00 C ATOM 374 O GLN A 27 -5.615 -18.606 12.800 1.00 10.00 O ATOM 375 CB GLN A 27 -3.818 -20.629 14.586 1.00 10.00 C ATOM 376 CG GLN A 27 -5.108 -20.484 15.413 1.00 10.00 C ATOM 377 CD GLN A 27 -5.679 -21.846 15.792 1.00 10.00 C ATOM 378 OE1 GLN A 27 -5.581 -22.273 16.936 1.00 10.00 O ATOM 379 NE2 GLN A 27 -6.285 -22.541 14.831 1.00 10.00 N ATOM 0 H GLN A 27 -4.069 -18.180 15.211 1.00 10.00 H new ATOM 0 HA GLN A 27 -2.594 -19.622 13.127 1.00 10.00 H new ATOM 0 HB2 GLN A 27 -3.877 -21.545 13.998 1.00 10.00 H new ATOM 0 HB3 GLN A 27 -2.974 -20.741 15.267 1.00 10.00 H new ATOM 0 HG2 GLN A 27 -4.901 -19.910 16.316 1.00 10.00 H new ATOM 0 HG3 GLN A 27 -5.848 -19.923 14.842 1.00 10.00 H new ATOM 0 HE21 GLN A 27 -6.350 -22.158 13.888 1.00 10.00 H new ATOM 0 HE22 GLN A 27 -6.684 -23.457 15.038 1.00 10.00 H new ATOM 388 N PRO A 28 -4.554 -20.081 11.472 1.00 10.00 N ATOM 389 CA PRO A 28 -5.640 -20.143 10.512 1.00 10.00 C ATOM 390 C PRO A 28 -6.772 -20.963 11.139 1.00 10.00 C ATOM 391 O PRO A 28 -6.571 -21.619 12.165 1.00 10.00 O ATOM 392 CB PRO A 28 -5.052 -20.836 9.288 1.00 10.00 C ATOM 393 CG PRO A 28 -4.018 -21.781 9.904 1.00 10.00 C ATOM 394 CD PRO A 28 -3.477 -20.982 11.091 1.00 10.00 C ATOM 0 HA PRO A 28 -6.046 -19.170 10.236 1.00 10.00 H new ATOM 0 HB2 PRO A 28 -5.812 -21.378 8.725 1.00 10.00 H new ATOM 0 HB3 PRO A 28 -4.593 -20.125 8.601 1.00 10.00 H new ATOM 0 HG2 PRO A 28 -4.470 -22.720 10.223 1.00 10.00 H new ATOM 0 HG3 PRO A 28 -3.229 -22.032 9.195 1.00 10.00 H new ATOM 0 HD2 PRO A 28 -3.205 -21.640 11.916 1.00 10.00 H new ATOM 0 HD3 PRO A 28 -2.580 -20.428 10.816 1.00 10.00 H new ATOM 402 N GLN A 29 -7.958 -20.956 10.528 1.00 10.00 N ATOM 403 CA GLN A 29 -9.084 -21.715 11.058 1.00 10.00 C ATOM 404 C GLN A 29 -9.145 -23.073 10.361 1.00 10.00 C ATOM 405 O GLN A 29 -9.286 -23.129 9.143 1.00 10.00 O ATOM 406 CB GLN A 29 -10.382 -20.917 10.902 1.00 10.00 C ATOM 407 CG GLN A 29 -10.334 -19.650 11.771 1.00 10.00 C ATOM 408 CD GLN A 29 -11.649 -18.875 11.759 1.00 10.00 C ATOM 409 OE1 GLN A 29 -12.679 -19.374 11.318 1.00 10.00 O ATOM 410 NE2 GLN A 29 -11.627 -17.636 12.239 1.00 10.00 N ATOM 0 H GLN A 29 -8.160 -20.437 9.673 1.00 10.00 H new ATOM 0 HA GLN A 29 -8.951 -21.892 12.125 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -10.526 -20.644 9.857 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -11.233 -21.533 11.191 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -10.090 -19.927 12.797 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -9.532 -19.002 11.417 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -10.757 -17.244 12.600 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -12.480 -17.077 12.246 1.00 10.00 H new ATOM 419 N THR A 30 -9.023 -24.168 11.115 1.00 10.00 N ATOM 420 CA THR A 30 -9.087 -25.525 10.592 1.00 10.00 C ATOM 421 C THR A 30 -10.347 -25.681 9.740 1.00 10.00 C ATOM 422 O THR A 30 -11.441 -25.417 10.233 1.00 10.00 O ATOM 423 CB THR A 30 -9.134 -26.483 11.788 1.00 10.00 C ATOM 424 OG1 THR A 30 -8.228 -26.026 12.776 1.00 10.00 O ATOM 425 CG2 THR A 30 -8.780 -27.914 11.379 1.00 10.00 C ATOM 0 H THR A 30 -8.874 -24.130 12.123 1.00 10.00 H new ATOM 0 HA THR A 30 -8.220 -25.745 9.969 1.00 10.00 H new ATOM 0 HB THR A 30 -10.150 -26.497 12.182 1.00 10.00 H new ATOM 0 HG1 THR A 30 -8.252 -26.631 13.546 1.00 10.00 H new ATOM 0 HG21 THR A 30 -8.824 -28.564 12.253 1.00 10.00 H new ATOM 0 HG22 THR A 30 -9.490 -28.265 10.630 1.00 10.00 H new ATOM 0 HG23 THR A 30 -7.773 -27.935 10.962 1.00 10.00 H new ATOM 433 N CYS A 31 -10.220 -26.098 8.477 1.00 10.00 N ATOM 434 CA CYS A 31 -11.382 -26.249 7.618 1.00 10.00 C ATOM 435 C CYS A 31 -12.292 -27.346 8.181 1.00 10.00 C ATOM 436 O CYS A 31 -11.879 -28.508 8.212 1.00 10.00 O ATOM 437 CB CYS A 31 -10.949 -26.597 6.197 1.00 10.00 C ATOM 438 SG CYS A 31 -12.338 -26.652 5.033 1.00 10.00 S ATOM 0 H CYS A 31 -9.331 -26.333 8.036 1.00 10.00 H new ATOM 0 HA CYS A 31 -11.931 -25.308 7.587 1.00 10.00 H new ATOM 0 HB2 CYS A 31 -10.222 -25.861 5.853 1.00 10.00 H new ATOM 0 HB3 CYS A 31 -10.446 -27.564 6.202 1.00 10.00 H new ATOM 443 N PRO A 32 -13.520 -27.027 8.621 1.00 10.00 N ATOM 444 CA PRO A 32 -14.399 -28.019 9.206 1.00 10.00 C ATOM 445 C PRO A 32 -14.908 -28.985 8.135 1.00 10.00 C ATOM 446 O PRO A 32 -15.041 -30.175 8.405 1.00 10.00 O ATOM 447 CB PRO A 32 -15.508 -27.219 9.887 1.00 10.00 C ATOM 448 CG PRO A 32 -15.611 -25.958 9.029 1.00 10.00 C ATOM 449 CD PRO A 32 -14.159 -25.716 8.610 1.00 10.00 C ATOM 0 HA PRO A 32 -13.899 -28.657 9.934 1.00 10.00 H new ATOM 0 HB2 PRO A 32 -16.448 -27.770 9.906 1.00 10.00 H new ATOM 0 HB3 PRO A 32 -15.256 -26.982 10.921 1.00 10.00 H new ATOM 0 HG2 PRO A 32 -16.262 -26.107 8.167 1.00 10.00 H new ATOM 0 HG3 PRO A 32 -16.015 -25.117 9.592 1.00 10.00 H new ATOM 0 HD2 PRO A 32 -14.108 -25.264 7.619 1.00 10.00 H new ATOM 0 HD3 PRO A 32 -13.662 -25.033 9.298 1.00 10.00 H new ATOM 457 N THR A 33 -15.157 -28.489 6.918 1.00 10.00 N ATOM 458 CA THR A 33 -15.641 -29.249 5.772 1.00 10.00 C ATOM 459 C THR A 33 -14.902 -30.580 5.578 1.00 10.00 C ATOM 460 O THR A 33 -15.519 -31.578 5.222 1.00 10.00 O ATOM 461 CB THR A 33 -15.511 -28.353 4.531 1.00 10.00 C ATOM 462 OG1 THR A 33 -15.780 -27.007 4.894 1.00 10.00 O ATOM 463 CG2 THR A 33 -16.466 -28.778 3.413 1.00 10.00 C ATOM 0 H THR A 33 -15.019 -27.502 6.701 1.00 10.00 H new ATOM 0 HA THR A 33 -16.682 -29.524 5.944 1.00 10.00 H new ATOM 0 HB THR A 33 -14.493 -28.452 4.154 1.00 10.00 H new ATOM 0 HG1 THR A 33 -15.267 -26.404 4.316 1.00 10.00 H new ATOM 0 HG21 THR A 33 -16.340 -28.117 2.556 1.00 10.00 H new ATOM 0 HG22 THR A 33 -16.245 -29.803 3.116 1.00 10.00 H new ATOM 0 HG23 THR A 33 -17.494 -28.717 3.770 1.00 10.00 H new ATOM 471 N CYS A 34 -13.585 -30.587 5.816 1.00 10.00 N ATOM 472 CA CYS A 34 -12.736 -31.769 5.702 1.00 10.00 C ATOM 473 C CYS A 34 -12.091 -32.128 7.045 1.00 10.00 C ATOM 474 O CYS A 34 -11.142 -32.909 7.078 1.00 10.00 O ATOM 475 CB CYS A 34 -11.666 -31.522 4.634 1.00 10.00 C ATOM 476 SG CYS A 34 -10.707 -29.999 4.807 1.00 10.00 S ATOM 0 H CYS A 34 -13.073 -29.751 6.099 1.00 10.00 H new ATOM 0 HA CYS A 34 -13.355 -32.616 5.406 1.00 10.00 H new ATOM 0 HB2 CYS A 34 -10.975 -32.365 4.639 1.00 10.00 H new ATOM 0 HB3 CYS A 34 -12.151 -31.513 3.658 1.00 10.00 H new ATOM 481 N HIS A 35 -12.571 -31.553 8.154 1.00 10.00 N ATOM 482 CA HIS A 35 -12.014 -31.765 9.488 1.00 10.00 C ATOM 483 C HIS A 35 -10.489 -31.573 9.463 1.00 10.00 C ATOM 484 O HIS A 35 -9.746 -32.350 10.052 1.00 10.00 O ATOM 485 CB HIS A 35 -12.398 -33.156 10.025 1.00 10.00 C ATOM 486 CG HIS A 35 -13.876 -33.469 10.082 1.00 10.00 C ATOM 487 ND1 HIS A 35 -14.921 -32.648 9.718 1.00 10.00 N ATOM 488 CD2 HIS A 35 -14.418 -34.652 10.508 1.00 10.00 C ATOM 489 CE1 HIS A 35 -16.062 -33.327 9.920 1.00 10.00 C ATOM 490 NE2 HIS A 35 -15.808 -34.552 10.403 1.00 10.00 N ATOM 0 H HIS A 35 -13.369 -30.918 8.146 1.00 10.00 H new ATOM 0 HA HIS A 35 -12.437 -31.024 10.167 1.00 10.00 H new ATOM 0 HB2 HIS A 35 -11.913 -33.908 9.403 1.00 10.00 H new ATOM 0 HB3 HIS A 35 -11.988 -33.260 11.029 1.00 10.00 H new ATOM 0 HD1 HIS A 35 -14.842 -31.696 9.360 1.00 10.00 H new ATOM 0 HD2 HIS A 35 -13.868 -35.511 10.863 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -17.050 -32.939 9.721 1.00 10.00 H new ATOM 498 N GLY A 36 -10.014 -30.548 8.749 1.00 10.00 N ATOM 499 CA GLY A 36 -8.592 -30.259 8.611 1.00 10.00 C ATOM 500 C GLY A 36 -7.817 -31.231 7.708 1.00 10.00 C ATOM 501 O GLY A 36 -6.655 -30.974 7.409 1.00 10.00 O ATOM 0 H GLY A 36 -10.614 -29.893 8.248 1.00 10.00 H new ATOM 0 HA2 GLY A 36 -8.478 -29.250 8.215 1.00 10.00 H new ATOM 0 HA3 GLY A 36 -8.137 -30.266 9.602 1.00 10.00 H new ATOM 505 N SER A 37 -8.422 -32.336 7.254 1.00 10.00 N ATOM 506 CA SER A 37 -7.764 -33.355 6.437 1.00 10.00 C ATOM 507 C SER A 37 -7.333 -32.859 5.050 1.00 10.00 C ATOM 508 O SER A 37 -6.559 -33.526 4.370 1.00 10.00 O ATOM 509 CB SER A 37 -8.686 -34.572 6.282 1.00 10.00 C ATOM 510 OG SER A 37 -9.308 -34.892 7.511 1.00 10.00 O ATOM 0 H SER A 37 -9.400 -32.548 7.450 1.00 10.00 H new ATOM 0 HA SER A 37 -6.850 -33.624 6.966 1.00 10.00 H new ATOM 0 HB2 SER A 37 -9.446 -34.364 5.528 1.00 10.00 H new ATOM 0 HB3 SER A 37 -8.110 -35.427 5.927 1.00 10.00 H new ATOM 0 HG SER A 37 -10.127 -34.363 7.611 1.00 10.00 H new ATOM 516 N GLY A 38 -7.860 -31.716 4.609 1.00 10.00 N ATOM 517 CA GLY A 38 -7.556 -31.129 3.308 1.00 10.00 C ATOM 518 C GLY A 38 -8.217 -31.859 2.135 1.00 10.00 C ATOM 519 O GLY A 38 -7.994 -31.488 0.983 1.00 10.00 O ATOM 0 H GLY A 38 -8.521 -31.165 5.157 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -7.878 -30.088 3.305 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -6.476 -31.129 3.162 1.00 10.00 H new ATOM 523 N GLN A 39 -9.057 -32.867 2.391 1.00 10.00 N ATOM 524 CA GLN A 39 -9.734 -33.622 1.349 1.00 10.00 C ATOM 525 C GLN A 39 -11.132 -34.029 1.803 1.00 10.00 C ATOM 526 O GLN A 39 -11.398 -34.118 2.999 1.00 10.00 O ATOM 527 CB GLN A 39 -8.895 -34.836 0.933 1.00 10.00 C ATOM 528 CG GLN A 39 -8.459 -35.706 2.121 1.00 10.00 C ATOM 529 CD GLN A 39 -8.044 -37.099 1.660 1.00 10.00 C ATOM 530 OE1 GLN A 39 -8.428 -38.097 2.259 1.00 10.00 O ATOM 531 NE2 GLN A 39 -7.267 -37.179 0.585 1.00 10.00 N ATOM 0 H GLN A 39 -9.283 -33.179 3.336 1.00 10.00 H new ATOM 0 HA GLN A 39 -9.848 -32.985 0.472 1.00 10.00 H new ATOM 0 HB2 GLN A 39 -9.470 -35.446 0.236 1.00 10.00 H new ATOM 0 HB3 GLN A 39 -8.009 -34.492 0.399 1.00 10.00 H new ATOM 0 HG2 GLN A 39 -7.627 -35.229 2.639 1.00 10.00 H new ATOM 0 HG3 GLN A 39 -9.277 -35.785 2.837 1.00 10.00 H new ATOM 0 HE21 GLN A 39 -6.965 -36.329 0.110 1.00 10.00 H new ATOM 0 HE22 GLN A 39 -6.973 -38.091 0.235 1.00 10.00 H new ATOM 540 N VAL A 40 -12.000 -34.280 0.828 1.00 10.00 N ATOM 541 CA VAL A 40 -13.380 -34.702 0.989 1.00 10.00 C ATOM 542 C VAL A 40 -13.508 -36.085 0.368 1.00 10.00 C ATOM 543 O VAL A 40 -12.914 -36.311 -0.684 1.00 10.00 O ATOM 544 CB VAL A 40 -14.309 -33.723 0.246 1.00 10.00 C ATOM 545 CG1 VAL A 40 -14.529 -32.464 1.085 1.00 10.00 C ATOM 546 CG2 VAL A 40 -13.785 -33.328 -1.148 1.00 10.00 C ATOM 0 H VAL A 40 -11.739 -34.187 -0.154 1.00 10.00 H new ATOM 0 HA VAL A 40 -13.657 -34.720 2.043 1.00 10.00 H new ATOM 0 HB VAL A 40 -15.253 -34.248 0.097 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -15.187 -31.780 0.549 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -14.986 -32.736 2.037 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -13.571 -31.977 1.268 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -14.485 -32.637 -1.618 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -12.812 -32.846 -1.048 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -13.686 -34.220 -1.766 1.00 10.00 H new ATOM 556 N GLN A 41 -14.289 -36.984 0.978 1.00 10.00 N ATOM 557 CA GLN A 41 -14.552 -38.309 0.435 1.00 10.00 C ATOM 558 C GLN A 41 -16.056 -38.508 0.312 1.00 10.00 C ATOM 559 O GLN A 41 -16.774 -38.522 1.310 1.00 10.00 O ATOM 560 CB GLN A 41 -13.834 -39.411 1.220 1.00 10.00 C ATOM 561 CG GLN A 41 -13.981 -40.770 0.502 1.00 10.00 C ATOM 562 CD GLN A 41 -12.815 -41.720 0.759 1.00 10.00 C ATOM 563 OE1 GLN A 41 -11.860 -41.388 1.453 1.00 10.00 O ATOM 564 NE2 GLN A 41 -12.836 -42.894 0.138 1.00 10.00 N ATOM 0 H GLN A 41 -14.756 -36.805 1.867 1.00 10.00 H new ATOM 0 HA GLN A 41 -14.130 -38.384 -0.567 1.00 10.00 H new ATOM 0 HB2 GLN A 41 -12.778 -39.161 1.326 1.00 10.00 H new ATOM 0 HB3 GLN A 41 -14.248 -39.478 2.226 1.00 10.00 H new ATOM 0 HG2 GLN A 41 -14.906 -41.246 0.827 1.00 10.00 H new ATOM 0 HG3 GLN A 41 -14.070 -40.598 -0.571 1.00 10.00 H new ATOM 0 HE21 GLN A 41 -13.639 -43.153 -0.435 1.00 10.00 H new ATOM 0 HE22 GLN A 41 -12.049 -43.536 0.234 1.00 10.00 H new ATOM 573 N MET A 42 -16.516 -38.651 -0.929 1.00 10.00 N ATOM 574 CA MET A 42 -17.904 -38.896 -1.265 1.00 10.00 C ATOM 575 C MET A 42 -18.223 -40.365 -0.963 1.00 10.00 C ATOM 576 O MET A 42 -17.318 -41.171 -0.746 1.00 10.00 O ATOM 577 CB MET A 42 -18.128 -38.550 -2.741 1.00 10.00 C ATOM 578 CG MET A 42 -17.756 -37.100 -3.069 1.00 10.00 C ATOM 579 SD MET A 42 -18.048 -36.606 -4.787 1.00 10.00 S ATOM 580 CE MET A 42 -19.853 -36.530 -4.820 1.00 10.00 C ATOM 0 H MET A 42 -15.910 -38.597 -1.748 1.00 10.00 H new ATOM 0 HA MET A 42 -18.573 -38.272 -0.673 1.00 10.00 H new ATOM 0 HB2 MET A 42 -17.536 -39.222 -3.362 1.00 10.00 H new ATOM 0 HB3 MET A 42 -19.174 -38.719 -2.995 1.00 10.00 H new ATOM 0 HG2 MET A 42 -18.323 -36.438 -2.415 1.00 10.00 H new ATOM 0 HG3 MET A 42 -16.702 -36.950 -2.838 1.00 10.00 H new ATOM 0 HE1 MET A 42 -20.182 -36.119 -5.774 1.00 10.00 H new ATOM 0 HE2 MET A 42 -20.262 -37.533 -4.696 1.00 10.00 H new ATOM 0 HE3 MET A 42 -20.205 -35.892 -4.009 1.00 10.00 H new ATOM 590 N ARG A 43 -19.513 -40.710 -0.922 1.00 10.00 N ATOM 591 CA ARG A 43 -19.972 -42.050 -0.577 1.00 10.00 C ATOM 592 C ARG A 43 -21.000 -42.590 -1.574 1.00 10.00 C ATOM 593 O ARG A 43 -22.012 -43.173 -1.186 1.00 10.00 O ATOM 594 CB ARG A 43 -20.441 -42.076 0.891 1.00 10.00 C ATOM 595 CG ARG A 43 -21.330 -40.900 1.333 1.00 10.00 C ATOM 596 CD ARG A 43 -22.667 -40.830 0.591 1.00 10.00 C ATOM 597 NE ARG A 43 -23.515 -39.759 1.129 1.00 10.00 N ATOM 598 CZ ARG A 43 -24.752 -39.488 0.692 1.00 10.00 C ATOM 599 NH1 ARG A 43 -25.295 -40.219 -0.288 1.00 10.00 N ATOM 600 NH2 ARG A 43 -25.441 -38.483 1.243 1.00 10.00 N ATOM 0 H ARG A 43 -20.271 -40.059 -1.130 1.00 10.00 H new ATOM 0 HA ARG A 43 -19.136 -42.745 -0.658 1.00 10.00 H new ATOM 0 HB2 ARG A 43 -20.988 -43.004 1.061 1.00 10.00 H new ATOM 0 HB3 ARG A 43 -19.561 -42.102 1.533 1.00 10.00 H new ATOM 0 HG2 ARG A 43 -21.522 -40.982 2.403 1.00 10.00 H new ATOM 0 HG3 ARG A 43 -20.788 -39.967 1.177 1.00 10.00 H new ATOM 0 HD2 ARG A 43 -22.489 -40.658 -0.471 1.00 10.00 H new ATOM 0 HD3 ARG A 43 -23.184 -41.785 0.677 1.00 10.00 H new ATOM 0 HE ARG A 43 -23.138 -39.185 1.883 1.00 10.00 H new ATOM 0 HH11 ARG A 43 -24.767 -40.986 -0.705 1.00 10.00 H new ATOM 0 HH12 ARG A 43 -26.237 -40.010 -0.618 1.00 10.00 H new ATOM 0 HH21 ARG A 43 -25.024 -37.929 1.991 1.00 10.00 H new ATOM 0 HH22 ARG A 43 -26.383 -38.271 0.915 1.00 10.00 H new ATOM 614 N GLN A 44 -20.729 -42.444 -2.874 1.00 10.00 N ATOM 615 CA GLN A 44 -21.582 -42.976 -3.932 1.00 10.00 C ATOM 616 C GLN A 44 -21.320 -44.483 -4.090 1.00 10.00 C ATOM 617 O GLN A 44 -20.845 -44.956 -5.124 1.00 10.00 O ATOM 618 CB GLN A 44 -21.498 -42.147 -5.232 1.00 10.00 C ATOM 619 CG GLN A 44 -20.127 -42.025 -5.916 1.00 10.00 C ATOM 620 CD GLN A 44 -19.232 -40.951 -5.300 1.00 10.00 C ATOM 621 OE1 GLN A 44 -18.722 -41.122 -4.198 1.00 10.00 O ATOM 622 NE2 GLN A 44 -19.041 -39.827 -5.983 1.00 10.00 N ATOM 0 H GLN A 44 -19.906 -41.950 -3.220 1.00 10.00 H new ATOM 0 HA GLN A 44 -22.629 -42.874 -3.648 1.00 10.00 H new ATOM 0 HB2 GLN A 44 -22.194 -42.580 -5.951 1.00 10.00 H new ATOM 0 HB3 GLN A 44 -21.853 -41.140 -5.011 1.00 10.00 H new ATOM 0 HG2 GLN A 44 -19.616 -42.987 -5.863 1.00 10.00 H new ATOM 0 HG3 GLN A 44 -20.275 -41.801 -6.972 1.00 10.00 H new ATOM 0 HE21 GLN A 44 -19.475 -39.706 -6.898 1.00 10.00 H new ATOM 0 HE22 GLN A 44 -18.460 -39.085 -5.592 1.00 10.00 H new ATOM 631 N GLY A 45 -21.642 -45.222 -3.022 1.00 10.00 N ATOM 632 CA GLY A 45 -21.512 -46.663 -2.872 1.00 10.00 C ATOM 633 C GLY A 45 -20.262 -47.226 -3.541 1.00 10.00 C ATOM 634 O GLY A 45 -19.155 -47.084 -3.025 1.00 10.00 O ATOM 0 H GLY A 45 -22.028 -44.790 -2.182 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -21.491 -46.911 -1.811 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -22.392 -47.147 -3.295 1.00 10.00 H new ATOM 638 N PHE A 46 -20.462 -47.872 -4.692 1.00 10.00 N ATOM 639 CA PHE A 46 -19.426 -48.519 -5.483 1.00 10.00 C ATOM 640 C PHE A 46 -18.194 -47.647 -5.706 1.00 10.00 C ATOM 641 O PHE A 46 -17.088 -48.180 -5.778 1.00 10.00 O ATOM 642 CB PHE A 46 -20.004 -48.925 -6.845 1.00 10.00 C ATOM 643 CG PHE A 46 -21.310 -49.691 -6.770 1.00 10.00 C ATOM 644 CD1 PHE A 46 -21.327 -51.000 -6.255 1.00 10.00 C ATOM 645 CD2 PHE A 46 -22.518 -49.074 -7.151 1.00 10.00 C ATOM 646 CE1 PHE A 46 -22.544 -51.692 -6.126 1.00 10.00 C ATOM 647 CE2 PHE A 46 -23.734 -49.766 -7.022 1.00 10.00 C ATOM 648 CZ PHE A 46 -23.747 -51.074 -6.510 1.00 10.00 C ATOM 0 H PHE A 46 -21.388 -47.959 -5.110 1.00 10.00 H new ATOM 0 HA PHE A 46 -19.100 -49.390 -4.915 1.00 10.00 H new ATOM 0 HB2 PHE A 46 -20.158 -48.027 -7.443 1.00 10.00 H new ATOM 0 HB3 PHE A 46 -19.269 -49.535 -7.370 1.00 10.00 H new ATOM 0 HD1 PHE A 46 -20.403 -51.474 -5.958 1.00 10.00 H new ATOM 0 HD2 PHE A 46 -22.509 -48.068 -7.543 1.00 10.00 H new ATOM 0 HE1 PHE A 46 -22.555 -52.698 -5.732 1.00 10.00 H new ATOM 0 HE2 PHE A 46 -24.659 -49.292 -7.317 1.00 10.00 H new ATOM 0 HZ PHE A 46 -24.682 -51.605 -6.411 1.00 10.00 H new ATOM 658 N PHE A 47 -18.375 -46.329 -5.856 1.00 10.00 N ATOM 659 CA PHE A 47 -17.273 -45.430 -6.169 1.00 10.00 C ATOM 660 C PHE A 47 -17.166 -44.309 -5.141 1.00 10.00 C ATOM 661 O PHE A 47 -17.196 -43.138 -5.510 1.00 10.00 O ATOM 662 CB PHE A 47 -17.475 -44.889 -7.594 1.00 10.00 C ATOM 663 CG PHE A 47 -17.857 -45.948 -8.616 1.00 10.00 C ATOM 664 CD1 PHE A 47 -17.005 -47.044 -8.843 1.00 10.00 C ATOM 665 CD2 PHE A 47 -19.120 -45.907 -9.239 1.00 10.00 C ATOM 666 CE1 PHE A 47 -17.417 -48.099 -9.677 1.00 10.00 C ATOM 667 CE2 PHE A 47 -19.524 -46.954 -10.086 1.00 10.00 C ATOM 668 CZ PHE A 47 -18.676 -48.053 -10.299 1.00 10.00 C ATOM 0 H PHE A 47 -19.280 -45.867 -5.764 1.00 10.00 H new ATOM 0 HA PHE A 47 -16.329 -45.972 -6.126 1.00 10.00 H new ATOM 0 HB2 PHE A 47 -18.251 -44.124 -7.573 1.00 10.00 H new ATOM 0 HB3 PHE A 47 -16.556 -44.402 -7.919 1.00 10.00 H new ATOM 0 HD1 PHE A 47 -16.032 -47.075 -8.376 1.00 10.00 H new ATOM 0 HD2 PHE A 47 -19.779 -45.069 -9.066 1.00 10.00 H new ATOM 0 HE1 PHE A 47 -16.765 -48.945 -9.839 1.00 10.00 H new ATOM 0 HE2 PHE A 47 -20.487 -46.913 -10.573 1.00 10.00 H new ATOM 0 HZ PHE A 47 -18.991 -48.862 -10.941 1.00 10.00 H new ATOM 678 N ALA A 48 -16.999 -44.660 -3.863 1.00 10.00 N ATOM 679 CA ALA A 48 -16.837 -43.714 -2.760 1.00 10.00 C ATOM 680 C ALA A 48 -15.464 -43.026 -2.835 1.00 10.00 C ATOM 681 O ALA A 48 -14.599 -43.258 -1.991 1.00 10.00 O ATOM 682 CB ALA A 48 -17.020 -44.473 -1.440 1.00 10.00 C ATOM 0 H ALA A 48 -16.972 -45.634 -3.561 1.00 10.00 H new ATOM 0 HA ALA A 48 -17.588 -42.927 -2.825 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -16.903 -43.783 -0.604 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -18.016 -44.914 -1.409 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -16.271 -45.262 -1.367 1.00 10.00 H new ATOM 688 N VAL A 49 -15.251 -42.212 -3.872 1.00 10.00 N ATOM 689 CA VAL A 49 -13.985 -41.540 -4.149 1.00 10.00 C ATOM 690 C VAL A 49 -13.819 -40.244 -3.367 1.00 10.00 C ATOM 691 O VAL A 49 -14.769 -39.734 -2.774 1.00 10.00 O ATOM 692 CB VAL A 49 -13.799 -41.319 -5.658 1.00 10.00 C ATOM 693 CG1 VAL A 49 -13.668 -42.682 -6.337 1.00 10.00 C ATOM 694 CG2 VAL A 49 -14.921 -40.483 -6.291 1.00 10.00 C ATOM 0 H VAL A 49 -15.975 -41.998 -4.558 1.00 10.00 H new ATOM 0 HA VAL A 49 -13.193 -42.204 -3.802 1.00 10.00 H new ATOM 0 HB VAL A 49 -12.890 -40.736 -5.807 1.00 10.00 H new ATOM 0 HG11 VAL A 49 -13.535 -42.543 -7.410 1.00 10.00 H new ATOM 0 HG12 VAL A 49 -12.805 -43.210 -5.930 1.00 10.00 H new ATOM 0 HG13 VAL A 49 -14.570 -43.267 -6.156 1.00 10.00 H new ATOM 0 HG21 VAL A 49 -14.729 -40.364 -7.357 1.00 10.00 H new ATOM 0 HG22 VAL A 49 -15.876 -40.988 -6.148 1.00 10.00 H new ATOM 0 HG23 VAL A 49 -14.955 -39.502 -5.817 1.00 10.00 H new ATOM 704 N GLN A 50 -12.586 -39.726 -3.366 1.00 10.00 N ATOM 705 CA GLN A 50 -12.210 -38.525 -2.645 1.00 10.00 C ATOM 706 C GLN A 50 -11.540 -37.510 -3.563 1.00 10.00 C ATOM 707 O GLN A 50 -10.983 -37.883 -4.594 1.00 10.00 O ATOM 708 CB GLN A 50 -11.333 -38.930 -1.444 1.00 10.00 C ATOM 709 CG GLN A 50 -9.875 -39.179 -1.846 1.00 10.00 C ATOM 710 CD GLN A 50 -8.972 -39.670 -0.711 1.00 10.00 C ATOM 711 OE1 GLN A 50 -7.758 -39.502 -0.785 1.00 10.00 O ATOM 712 NE2 GLN A 50 -9.507 -40.283 0.341 1.00 10.00 N ATOM 0 H GLN A 50 -11.812 -40.146 -3.880 1.00 10.00 H new ATOM 0 HA GLN A 50 -13.099 -38.021 -2.265 1.00 10.00 H new ATOM 0 HB2 GLN A 50 -11.370 -38.145 -0.689 1.00 10.00 H new ATOM 0 HB3 GLN A 50 -11.741 -39.832 -0.987 1.00 10.00 H new ATOM 0 HG2 GLN A 50 -9.855 -39.913 -2.651 1.00 10.00 H new ATOM 0 HG3 GLN A 50 -9.460 -38.254 -2.248 1.00 10.00 H new ATOM 0 HE21 GLN A 50 -10.517 -40.418 0.394 1.00 10.00 H new ATOM 0 HE22 GLN A 50 -8.908 -40.618 1.095 1.00 10.00 H new ATOM 721 N GLN A 51 -11.582 -36.234 -3.169 1.00 10.00 N ATOM 722 CA GLN A 51 -10.976 -35.128 -3.893 1.00 10.00 C ATOM 723 C GLN A 51 -10.409 -34.127 -2.886 1.00 10.00 C ATOM 724 O GLN A 51 -10.794 -34.127 -1.717 1.00 10.00 O ATOM 725 CB GLN A 51 -12.002 -34.404 -4.785 1.00 10.00 C ATOM 726 CG GLN A 51 -12.936 -35.316 -5.597 1.00 10.00 C ATOM 727 CD GLN A 51 -14.156 -35.776 -4.799 1.00 10.00 C ATOM 728 OE1 GLN A 51 -14.361 -36.964 -4.579 1.00 10.00 O ATOM 729 NE2 GLN A 51 -14.988 -34.832 -4.364 1.00 10.00 N ATOM 0 H GLN A 51 -12.053 -35.941 -2.313 1.00 10.00 H new ATOM 0 HA GLN A 51 -10.189 -35.530 -4.531 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -12.613 -33.757 -4.155 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -11.463 -33.757 -5.477 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -13.270 -34.785 -6.488 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -12.379 -36.189 -5.936 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -14.793 -33.850 -4.561 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -15.820 -35.090 -3.833 1.00 10.00 H new ATOM 738 N THR A 52 -9.517 -33.253 -3.349 1.00 10.00 N ATOM 739 CA THR A 52 -8.944 -32.184 -2.550 1.00 10.00 C ATOM 740 C THR A 52 -10.064 -31.236 -2.110 1.00 10.00 C ATOM 741 O THR A 52 -10.965 -30.955 -2.898 1.00 10.00 O ATOM 742 CB THR A 52 -7.933 -31.444 -3.434 1.00 10.00 C ATOM 743 OG1 THR A 52 -7.113 -32.394 -4.088 1.00 10.00 O ATOM 744 CG2 THR A 52 -7.072 -30.495 -2.605 1.00 10.00 C ATOM 0 H THR A 52 -9.169 -33.273 -4.308 1.00 10.00 H new ATOM 0 HA THR A 52 -8.449 -32.572 -1.659 1.00 10.00 H new ATOM 0 HB THR A 52 -8.475 -30.849 -4.169 1.00 10.00 H new ATOM 0 HG1 THR A 52 -6.464 -31.930 -4.657 1.00 10.00 H new ATOM 0 HG21 THR A 52 -6.364 -29.983 -3.257 1.00 10.00 H new ATOM 0 HG22 THR A 52 -7.710 -29.760 -2.114 1.00 10.00 H new ATOM 0 HG23 THR A 52 -6.527 -31.063 -1.851 1.00 10.00 H new ATOM 752 N CYS A 53 -10.026 -30.725 -0.875 1.00 10.00 N ATOM 753 CA CYS A 53 -11.055 -29.808 -0.406 1.00 10.00 C ATOM 754 C CYS A 53 -10.859 -28.434 -1.063 1.00 10.00 C ATOM 755 O CYS A 53 -9.825 -27.805 -0.826 1.00 10.00 O ATOM 756 CB CYS A 53 -10.996 -29.674 1.115 1.00 10.00 C ATOM 757 SG CYS A 53 -12.294 -28.589 1.769 1.00 10.00 S ATOM 0 H CYS A 53 -9.298 -30.932 -0.191 1.00 10.00 H new ATOM 0 HA CYS A 53 -12.033 -30.203 -0.681 1.00 10.00 H new ATOM 0 HB2 CYS A 53 -11.091 -30.661 1.567 1.00 10.00 H new ATOM 0 HB3 CYS A 53 -10.021 -29.283 1.404 1.00 10.00 H new ATOM 762 N PRO A 54 -11.816 -27.936 -1.866 1.00 10.00 N ATOM 763 CA PRO A 54 -11.676 -26.649 -2.528 1.00 10.00 C ATOM 764 C PRO A 54 -11.735 -25.495 -1.526 1.00 10.00 C ATOM 765 O PRO A 54 -10.973 -24.539 -1.651 1.00 10.00 O ATOM 766 CB PRO A 54 -12.817 -26.588 -3.548 1.00 10.00 C ATOM 767 CG PRO A 54 -13.897 -27.480 -2.939 1.00 10.00 C ATOM 768 CD PRO A 54 -13.090 -28.555 -2.210 1.00 10.00 C ATOM 0 HA PRO A 54 -10.707 -26.549 -3.017 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -13.173 -25.568 -3.689 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -12.500 -26.953 -4.525 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -14.539 -26.925 -2.255 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -14.543 -27.911 -3.704 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -13.612 -28.896 -1.316 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -12.941 -29.429 -2.845 1.00 10.00 H new ATOM 776 N HIS A 55 -12.631 -25.583 -0.536 1.00 10.00 N ATOM 777 CA HIS A 55 -12.852 -24.563 0.488 1.00 10.00 C ATOM 778 C HIS A 55 -11.540 -24.013 1.067 1.00 10.00 C ATOM 779 O HIS A 55 -11.425 -22.812 1.291 1.00 10.00 O ATOM 780 CB HIS A 55 -13.766 -25.149 1.577 1.00 10.00 C ATOM 781 CG HIS A 55 -14.267 -24.189 2.632 1.00 10.00 C ATOM 782 ND1 HIS A 55 -14.846 -24.563 3.827 1.00 10.00 N ATOM 783 CD2 HIS A 55 -14.313 -22.820 2.567 1.00 10.00 C ATOM 784 CE1 HIS A 55 -15.213 -23.442 4.469 1.00 10.00 C ATOM 785 NE2 HIS A 55 -14.906 -22.354 3.745 1.00 10.00 N ATOM 0 H HIS A 55 -13.240 -26.393 -0.425 1.00 10.00 H new ATOM 0 HA HIS A 55 -13.342 -23.704 0.029 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -14.630 -25.600 1.089 1.00 10.00 H new ATOM 0 HB3 HIS A 55 -13.227 -25.953 2.077 1.00 10.00 H new ATOM 0 HD2 HIS A 55 -13.955 -22.210 1.751 1.00 10.00 H new ATOM 0 HE1 HIS A 55 -15.691 -23.419 5.437 1.00 10.00 H new ATOM 0 HE2 HIS A 55 -15.072 -21.381 4.003 1.00 10.00 H new ATOM 793 N CYS A 56 -10.553 -24.887 1.291 1.00 10.00 N ATOM 794 CA CYS A 56 -9.240 -24.512 1.813 1.00 10.00 C ATOM 795 C CYS A 56 -8.114 -24.845 0.830 1.00 10.00 C ATOM 796 O CYS A 56 -6.967 -24.994 1.246 1.00 10.00 O ATOM 797 CB CYS A 56 -9.020 -25.204 3.161 1.00 10.00 C ATOM 798 SG CYS A 56 -9.165 -27.008 3.129 1.00 10.00 S ATOM 0 H CYS A 56 -10.648 -25.887 1.112 1.00 10.00 H new ATOM 0 HA CYS A 56 -9.218 -23.431 1.951 1.00 10.00 H new ATOM 0 HB2 CYS A 56 -8.029 -24.941 3.530 1.00 10.00 H new ATOM 0 HB3 CYS A 56 -9.741 -24.809 3.877 1.00 10.00 H new ATOM 803 N GLN A 57 -8.426 -24.970 -0.466 1.00 10.00 N ATOM 804 CA GLN A 57 -7.466 -25.282 -1.523 1.00 10.00 C ATOM 805 C GLN A 57 -6.513 -26.412 -1.107 1.00 10.00 C ATOM 806 O GLN A 57 -5.308 -26.341 -1.335 1.00 10.00 O ATOM 807 CB GLN A 57 -6.699 -24.008 -1.916 1.00 10.00 C ATOM 808 CG GLN A 57 -7.603 -22.874 -2.421 1.00 10.00 C ATOM 809 CD GLN A 57 -8.209 -23.191 -3.785 1.00 10.00 C ATOM 810 OE1 GLN A 57 -7.572 -22.990 -4.812 1.00 10.00 O ATOM 811 NE2 GLN A 57 -9.441 -23.687 -3.818 1.00 10.00 N ATOM 0 H GLN A 57 -9.378 -24.853 -0.813 1.00 10.00 H new ATOM 0 HA GLN A 57 -8.012 -25.643 -2.395 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -6.134 -23.654 -1.053 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -5.974 -24.256 -2.692 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -8.402 -22.699 -1.701 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -7.026 -21.952 -2.486 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -9.951 -23.845 -2.949 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -9.877 -23.910 -4.713 1.00 10.00 H new ATOM 820 N GLY A 58 -7.048 -27.463 -0.480 1.00 10.00 N ATOM 821 CA GLY A 58 -6.268 -28.607 -0.031 1.00 10.00 C ATOM 822 C GLY A 58 -5.333 -28.351 1.156 1.00 10.00 C ATOM 823 O GLY A 58 -4.744 -29.299 1.668 1.00 10.00 O ATOM 0 H GLY A 58 -8.043 -27.539 -0.271 1.00 10.00 H new ATOM 0 HA2 GLY A 58 -6.956 -29.409 0.238 1.00 10.00 H new ATOM 0 HA3 GLY A 58 -5.671 -28.967 -0.869 1.00 10.00 H new ATOM 827 N ARG A 59 -5.185 -27.108 1.626 1.00 10.00 N ATOM 828 CA ARG A 59 -4.277 -26.777 2.722 1.00 10.00 C ATOM 829 C ARG A 59 -4.854 -27.130 4.098 1.00 10.00 C ATOM 830 O ARG A 59 -4.200 -26.904 5.116 1.00 10.00 O ATOM 831 CB ARG A 59 -3.906 -25.287 2.660 1.00 10.00 C ATOM 832 CG ARG A 59 -3.403 -24.871 1.269 1.00 10.00 C ATOM 833 CD ARG A 59 -2.829 -23.451 1.291 1.00 10.00 C ATOM 834 NE ARG A 59 -1.521 -23.405 1.959 1.00 10.00 N ATOM 835 CZ ARG A 59 -0.896 -22.278 2.331 1.00 10.00 C ATOM 836 NH1 ARG A 59 -1.472 -21.090 2.125 1.00 10.00 N ATOM 837 NH2 ARG A 59 0.306 -22.345 2.914 1.00 10.00 N ATOM 0 H ARG A 59 -5.693 -26.305 1.255 1.00 10.00 H new ATOM 0 HA ARG A 59 -3.381 -27.385 2.595 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -4.776 -24.686 2.924 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -3.136 -25.075 3.401 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -2.638 -25.570 0.932 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -4.222 -24.924 0.552 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -2.730 -23.083 0.270 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -3.523 -22.785 1.804 1.00 10.00 H new ATOM 0 HE ARG A 59 -1.056 -24.292 2.153 1.00 10.00 H new ATOM 0 HH11 ARG A 59 -2.390 -21.038 1.684 1.00 10.00 H new ATOM 0 HH12 ARG A 59 -0.994 -20.235 2.409 1.00 10.00 H new ATOM 0 HH21 ARG A 59 0.745 -23.252 3.075 1.00 10.00 H new ATOM 0 HH22 ARG A 59 0.784 -21.490 3.198 1.00 10.00 H new ATOM 851 N GLY A 60 -6.094 -27.628 4.162 1.00 10.00 N ATOM 852 CA GLY A 60 -6.771 -27.990 5.406 1.00 10.00 C ATOM 853 C GLY A 60 -7.076 -26.808 6.337 1.00 10.00 C ATOM 854 O GLY A 60 -7.771 -26.978 7.338 1.00 10.00 O ATOM 0 H GLY A 60 -6.664 -27.793 3.332 1.00 10.00 H new ATOM 0 HA2 GLY A 60 -7.706 -28.493 5.162 1.00 10.00 H new ATOM 0 HA3 GLY A 60 -6.153 -28.709 5.944 1.00 10.00 H new ATOM 858 N THR A 61 -6.553 -25.619 6.037 1.00 10.00 N ATOM 859 CA THR A 61 -6.638 -24.428 6.856 1.00 10.00 C ATOM 860 C THR A 61 -7.231 -23.267 6.059 1.00 10.00 C ATOM 861 O THR A 61 -6.852 -23.032 4.914 1.00 10.00 O ATOM 862 CB THR A 61 -5.212 -24.114 7.338 1.00 10.00 C ATOM 863 OG1 THR A 61 -4.245 -24.407 6.343 1.00 10.00 O ATOM 864 CG2 THR A 61 -4.884 -24.914 8.600 1.00 10.00 C ATOM 0 H THR A 61 -6.035 -25.461 5.172 1.00 10.00 H new ATOM 0 HA THR A 61 -7.298 -24.584 7.710 1.00 10.00 H new ATOM 0 HB THR A 61 -5.176 -23.046 7.555 1.00 10.00 H new ATOM 0 HG1 THR A 61 -4.278 -25.362 6.125 1.00 10.00 H new ATOM 0 HG21 THR A 61 -3.871 -24.679 8.927 1.00 10.00 H new ATOM 0 HG22 THR A 61 -5.589 -24.654 9.389 1.00 10.00 H new ATOM 0 HG23 THR A 61 -4.958 -25.980 8.384 1.00 10.00 H new ATOM 872 N LEU A 62 -8.163 -22.541 6.678 1.00 10.00 N ATOM 873 CA LEU A 62 -8.821 -21.381 6.112 1.00 10.00 C ATOM 874 C LEU A 62 -8.118 -20.135 6.638 1.00 10.00 C ATOM 875 O LEU A 62 -8.076 -19.895 7.852 1.00 10.00 O ATOM 876 CB LEU A 62 -10.299 -21.348 6.519 1.00 10.00 C ATOM 877 CG LEU A 62 -11.115 -22.548 6.021 1.00 10.00 C ATOM 878 CD1 LEU A 62 -12.464 -22.562 6.743 1.00 10.00 C ATOM 879 CD2 LEU A 62 -11.354 -22.457 4.511 1.00 10.00 C ATOM 0 H LEU A 62 -8.486 -22.759 7.621 1.00 10.00 H new ATOM 0 HA LEU A 62 -8.768 -21.423 5.024 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -10.364 -21.305 7.606 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -10.749 -20.432 6.136 1.00 10.00 H new ATOM 0 HG LEU A 62 -10.559 -23.462 6.229 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -13.053 -23.411 6.397 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -12.301 -22.647 7.817 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -13.000 -21.637 6.530 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -11.934 -23.319 4.182 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -11.902 -21.542 4.284 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -10.396 -22.445 3.991 1.00 10.00 H new ATOM 891 N ILE A 63 -7.585 -19.332 5.715 1.00 10.00 N ATOM 892 CA ILE A 63 -6.904 -18.082 6.005 1.00 10.00 C ATOM 893 C ILE A 63 -7.966 -17.011 6.287 1.00 10.00 C ATOM 894 O ILE A 63 -8.095 -16.028 5.564 1.00 10.00 O ATOM 895 CB ILE A 63 -5.972 -17.725 4.828 1.00 10.00 C ATOM 896 CG1 ILE A 63 -5.013 -18.869 4.441 1.00 10.00 C ATOM 897 CG2 ILE A 63 -5.160 -16.460 5.137 1.00 10.00 C ATOM 898 CD1 ILE A 63 -4.024 -19.232 5.549 1.00 10.00 C ATOM 0 H ILE A 63 -7.620 -19.545 4.718 1.00 10.00 H new ATOM 0 HA ILE A 63 -6.271 -18.160 6.889 1.00 10.00 H new ATOM 0 HB ILE A 63 -6.627 -17.547 3.975 1.00 10.00 H new ATOM 0 HG12 ILE A 63 -5.598 -19.752 4.182 1.00 10.00 H new ATOM 0 HG13 ILE A 63 -4.458 -18.582 3.548 1.00 10.00 H new ATOM 0 HG21 ILE A 63 -4.511 -16.229 4.292 1.00 10.00 H new ATOM 0 HG22 ILE A 63 -5.839 -15.625 5.312 1.00 10.00 H new ATOM 0 HG23 ILE A 63 -4.553 -16.626 6.027 1.00 10.00 H new ATOM 0 HD11 ILE A 63 -3.380 -20.043 5.210 1.00 10.00 H new ATOM 0 HD12 ILE A 63 -3.414 -18.362 5.792 1.00 10.00 H new ATOM 0 HD13 ILE A 63 -4.572 -19.550 6.436 1.00 10.00 H new ATOM 910 N LYS A 64 -8.750 -17.207 7.350 1.00 10.00 N ATOM 911 CA LYS A 64 -9.792 -16.261 7.730 1.00 10.00 C ATOM 912 C LYS A 64 -9.175 -14.954 8.250 1.00 10.00 C ATOM 913 O LYS A 64 -9.797 -13.898 8.174 1.00 10.00 O ATOM 914 CB LYS A 64 -10.725 -16.898 8.769 1.00 10.00 C ATOM 915 CG LYS A 64 -11.567 -18.034 8.170 1.00 10.00 C ATOM 916 CD LYS A 64 -12.705 -17.517 7.276 1.00 10.00 C ATOM 917 CE LYS A 64 -13.540 -18.685 6.744 1.00 10.00 C ATOM 918 NZ LYS A 64 -14.678 -18.213 5.936 1.00 10.00 N ATOM 0 H LYS A 64 -8.679 -18.019 7.964 1.00 10.00 H new ATOM 0 HA LYS A 64 -10.385 -16.013 6.850 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -10.133 -17.285 9.598 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -11.386 -16.134 9.178 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -10.922 -18.691 7.587 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -11.988 -18.634 8.977 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -13.340 -16.836 7.843 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -12.292 -16.948 6.443 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -12.910 -19.338 6.140 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -13.908 -19.280 7.580 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -15.222 -19.030 5.592 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -15.292 -17.610 6.520 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -14.325 -17.666 5.125 1.00 10.00 H new ATOM 932 N ASP A 65 -7.952 -15.036 8.782 1.00 10.00 N ATOM 933 CA ASP A 65 -7.159 -13.949 9.343 1.00 10.00 C ATOM 934 C ASP A 65 -5.946 -13.675 8.432 1.00 10.00 C ATOM 935 O ASP A 65 -4.824 -14.040 8.781 1.00 10.00 O ATOM 936 CB ASP A 65 -6.744 -14.366 10.767 1.00 10.00 C ATOM 937 CG ASP A 65 -5.863 -15.620 10.812 1.00 10.00 C ATOM 938 OD1 ASP A 65 -6.241 -16.618 10.157 1.00 10.00 O ATOM 939 OD2 ASP A 65 -4.816 -15.551 11.488 1.00 10.00 O ATOM 0 H ASP A 65 -7.460 -15.928 8.833 1.00 10.00 H new ATOM 0 HA ASP A 65 -7.726 -13.020 9.400 1.00 10.00 H new ATOM 0 HB2 ASP A 65 -6.209 -13.540 11.236 1.00 10.00 H new ATOM 0 HB3 ASP A 65 -7.641 -14.542 11.360 1.00 10.00 H new ATOM 944 N PRO A 66 -6.141 -13.068 7.249 1.00 10.00 N ATOM 945 CA PRO A 66 -5.081 -12.880 6.270 1.00 10.00 C ATOM 946 C PRO A 66 -3.915 -11.995 6.721 1.00 10.00 C ATOM 947 O PRO A 66 -4.093 -10.858 7.153 1.00 10.00 O ATOM 948 CB PRO A 66 -5.759 -12.317 5.016 1.00 10.00 C ATOM 949 CG PRO A 66 -7.014 -11.644 5.570 1.00 10.00 C ATOM 950 CD PRO A 66 -7.401 -12.576 6.716 1.00 10.00 C ATOM 0 HA PRO A 66 -4.598 -13.841 6.094 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -5.117 -11.606 4.496 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -6.005 -13.104 4.304 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -6.812 -10.631 5.919 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -7.802 -11.572 4.820 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -7.971 -12.046 7.479 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -8.026 -13.396 6.363 1.00 10.00 H new ATOM 958 N CYS A 67 -2.704 -12.522 6.541 1.00 10.00 N ATOM 959 CA CYS A 67 -1.442 -11.848 6.760 1.00 10.00 C ATOM 960 C CYS A 67 -1.311 -10.802 5.657 1.00 10.00 C ATOM 961 O CYS A 67 -0.839 -11.112 4.561 1.00 10.00 O ATOM 962 CB CYS A 67 -0.306 -12.878 6.685 1.00 10.00 C ATOM 963 SG CYS A 67 1.385 -12.217 6.762 1.00 10.00 S ATOM 0 H CYS A 67 -2.580 -13.483 6.221 1.00 10.00 H new ATOM 0 HA CYS A 67 -1.393 -11.370 7.738 1.00 10.00 H new ATOM 0 HB2 CYS A 67 -0.433 -13.588 7.502 1.00 10.00 H new ATOM 0 HB3 CYS A 67 -0.413 -13.438 5.756 1.00 10.00 H new ATOM 968 N ASN A 68 -1.768 -9.584 5.953 1.00 10.00 N ATOM 969 CA ASN A 68 -1.767 -8.422 5.068 1.00 10.00 C ATOM 970 C ASN A 68 -0.514 -8.351 4.191 1.00 10.00 C ATOM 971 O ASN A 68 -0.633 -8.191 2.980 1.00 10.00 O ATOM 972 CB ASN A 68 -1.976 -7.126 5.869 1.00 10.00 C ATOM 973 CG ASN A 68 -0.822 -6.777 6.813 1.00 10.00 C ATOM 974 OD1 ASN A 68 -0.100 -7.651 7.285 1.00 10.00 O ATOM 975 ND2 ASN A 68 -0.631 -5.493 7.096 1.00 10.00 N ATOM 0 H ASN A 68 -2.170 -9.372 6.866 1.00 10.00 H new ATOM 0 HA ASN A 68 -2.608 -8.537 4.385 1.00 10.00 H new ATOM 0 HB2 ASN A 68 -2.122 -6.301 5.172 1.00 10.00 H new ATOM 0 HB3 ASN A 68 -2.892 -7.217 6.452 1.00 10.00 H new ATOM 0 HD21 ASN A 68 0.129 -5.215 7.718 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -1.244 -4.785 6.692 1.00 10.00 H new ATOM 982 N LYS A 69 0.672 -8.497 4.792 1.00 10.00 N ATOM 983 CA LYS A 69 1.965 -8.466 4.116 1.00 10.00 C ATOM 984 C LYS A 69 1.979 -9.289 2.820 1.00 10.00 C ATOM 985 O LYS A 69 2.599 -8.875 1.844 1.00 10.00 O ATOM 986 CB LYS A 69 3.055 -8.945 5.086 1.00 10.00 C ATOM 987 CG LYS A 69 4.459 -8.674 4.528 1.00 10.00 C ATOM 988 CD LYS A 69 5.523 -9.193 5.500 1.00 10.00 C ATOM 989 CE LYS A 69 6.938 -9.076 4.920 1.00 10.00 C ATOM 990 NZ LYS A 69 7.311 -7.677 4.646 1.00 10.00 N ATOM 0 H LYS A 69 0.756 -8.645 5.798 1.00 10.00 H new ATOM 0 HA LYS A 69 2.163 -7.436 3.819 1.00 10.00 H new ATOM 0 HB2 LYS A 69 2.939 -8.439 6.045 1.00 10.00 H new ATOM 0 HB3 LYS A 69 2.935 -10.012 5.272 1.00 10.00 H new ATOM 0 HG2 LYS A 69 4.573 -9.160 3.559 1.00 10.00 H new ATOM 0 HG3 LYS A 69 4.594 -7.605 4.366 1.00 10.00 H new ATOM 0 HD2 LYS A 69 5.466 -8.632 6.433 1.00 10.00 H new ATOM 0 HD3 LYS A 69 5.315 -10.235 5.742 1.00 10.00 H new ATOM 0 HE2 LYS A 69 7.653 -9.511 5.619 1.00 10.00 H new ATOM 0 HE3 LYS A 69 7.000 -9.655 3.998 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 8.298 -7.638 4.319 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 6.687 -7.289 3.910 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 7.212 -7.115 5.515 1.00 10.00 H new ATOM 1004 N CYS A 70 1.304 -10.443 2.810 1.00 10.00 N ATOM 1005 CA CYS A 70 1.206 -11.318 1.647 1.00 10.00 C ATOM 1006 C CYS A 70 -0.252 -11.540 1.248 1.00 10.00 C ATOM 1007 O CYS A 70 -0.546 -12.492 0.531 1.00 10.00 O ATOM 1008 CB CYS A 70 1.864 -12.660 1.979 1.00 10.00 C ATOM 1009 SG CYS A 70 1.081 -13.593 3.317 1.00 10.00 S ATOM 0 H CYS A 70 0.804 -10.797 3.625 1.00 10.00 H new ATOM 0 HA CYS A 70 1.716 -10.847 0.807 1.00 10.00 H new ATOM 0 HB2 CYS A 70 1.866 -13.277 1.081 1.00 10.00 H new ATOM 0 HB3 CYS A 70 2.906 -12.480 2.245 1.00 10.00 H new ATOM 1014 N HIS A 71 -1.175 -10.705 1.736 1.00 10.00 N ATOM 1015 CA HIS A 71 -2.608 -10.841 1.512 1.00 10.00 C ATOM 1016 C HIS A 71 -3.071 -12.285 1.786 1.00 10.00 C ATOM 1017 O HIS A 71 -3.926 -12.824 1.084 1.00 10.00 O ATOM 1018 CB HIS A 71 -2.948 -10.337 0.101 1.00 10.00 C ATOM 1019 CG HIS A 71 -4.410 -10.018 -0.104 1.00 10.00 C ATOM 1020 ND1 HIS A 71 -5.446 -10.917 -0.030 1.00 10.00 N ATOM 1021 CD2 HIS A 71 -4.948 -8.790 -0.387 1.00 10.00 C ATOM 1022 CE1 HIS A 71 -6.587 -10.246 -0.260 1.00 10.00 C ATOM 1023 NE2 HIS A 71 -6.335 -8.946 -0.481 1.00 10.00 N ATOM 0 H HIS A 71 -0.935 -9.898 2.311 1.00 10.00 H new ATOM 0 HA HIS A 71 -3.163 -10.222 2.217 1.00 10.00 H new ATOM 0 HB2 HIS A 71 -2.360 -9.443 -0.105 1.00 10.00 H new ATOM 0 HB3 HIS A 71 -2.646 -11.092 -0.625 1.00 10.00 H new ATOM 0 HD1 HIS A 71 -5.364 -11.915 0.165 1.00 10.00 H new ATOM 0 HD2 HIS A 71 -4.400 -7.868 -0.514 1.00 10.00 H new ATOM 0 HE1 HIS A 71 -7.571 -10.691 -0.266 1.00 10.00 H new ATOM 1031 N GLY A 72 -2.503 -12.934 2.810 1.00 10.00 N ATOM 1032 CA GLY A 72 -2.849 -14.304 3.153 1.00 10.00 C ATOM 1033 C GLY A 72 -2.428 -15.360 2.119 1.00 10.00 C ATOM 1034 O GLY A 72 -2.780 -16.525 2.282 1.00 10.00 O ATOM 0 H GLY A 72 -1.795 -12.520 3.417 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -2.388 -14.550 4.110 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -3.928 -14.366 3.294 1.00 10.00 H new ATOM 1038 N HIS A 73 -1.675 -15.002 1.072 1.00 10.00 N ATOM 1039 CA HIS A 73 -1.228 -15.952 0.060 1.00 10.00 C ATOM 1040 C HIS A 73 -0.260 -16.970 0.666 1.00 10.00 C ATOM 1041 O HIS A 73 -0.341 -18.159 0.364 1.00 10.00 O ATOM 1042 CB HIS A 73 -0.557 -15.184 -1.085 1.00 10.00 C ATOM 1043 CG HIS A 73 -0.078 -16.035 -2.234 1.00 10.00 C ATOM 1044 ND1 HIS A 73 -0.041 -17.413 -2.296 1.00 10.00 N ATOM 1045 CD2 HIS A 73 0.462 -15.557 -3.395 1.00 10.00 C ATOM 1046 CE1 HIS A 73 0.501 -17.749 -3.478 1.00 10.00 C ATOM 1047 NE2 HIS A 73 0.830 -16.653 -4.182 1.00 10.00 N ATOM 0 H HIS A 73 -1.362 -14.045 0.907 1.00 10.00 H new ATOM 0 HA HIS A 73 -2.087 -16.500 -0.326 1.00 10.00 H new ATOM 0 HB2 HIS A 73 -1.262 -14.447 -1.469 1.00 10.00 H new ATOM 0 HB3 HIS A 73 0.293 -14.633 -0.683 1.00 10.00 H new ATOM 0 HD1 HIS A 73 -0.366 -18.058 -1.576 1.00 10.00 H new ATOM 0 HD2 HIS A 73 0.583 -14.517 -3.658 1.00 10.00 H new ATOM 0 HE1 HIS A 73 0.652 -18.763 -3.817 1.00 10.00 H new ATOM 1055 N GLY A 74 0.673 -16.476 1.480 1.00 10.00 N ATOM 1056 CA GLY A 74 1.691 -17.269 2.157 1.00 10.00 C ATOM 1057 C GLY A 74 3.105 -17.037 1.613 1.00 10.00 C ATOM 1058 O GLY A 74 4.046 -17.662 2.100 1.00 10.00 O ATOM 0 H GLY A 74 0.740 -15.480 1.691 1.00 10.00 H new ATOM 0 HA2 GLY A 74 1.676 -17.034 3.221 1.00 10.00 H new ATOM 0 HA3 GLY A 74 1.441 -18.326 2.061 1.00 10.00 H new ATOM 1062 N ARG A 75 3.296 -16.144 0.636 1.00 10.00 N ATOM 1063 CA ARG A 75 4.616 -15.872 0.074 1.00 10.00 C ATOM 1064 C ARG A 75 4.746 -14.405 -0.332 1.00 10.00 C ATOM 1065 O ARG A 75 3.737 -13.753 -0.593 1.00 10.00 O ATOM 1066 CB ARG A 75 4.919 -16.852 -1.068 1.00 10.00 C ATOM 1067 CG ARG A 75 3.957 -16.728 -2.257 1.00 10.00 C ATOM 1068 CD ARG A 75 4.053 -17.951 -3.178 1.00 10.00 C ATOM 1069 NE ARG A 75 5.439 -18.265 -3.556 1.00 10.00 N ATOM 1070 CZ ARG A 75 5.801 -19.284 -4.348 1.00 10.00 C ATOM 1071 NH1 ARG A 75 4.873 -20.095 -4.865 1.00 10.00 N ATOM 1072 NH2 ARG A 75 7.095 -19.485 -4.619 1.00 10.00 N ATOM 0 H ARG A 75 2.545 -15.595 0.218 1.00 10.00 H new ATOM 0 HA ARG A 75 5.376 -16.038 0.838 1.00 10.00 H new ATOM 0 HB2 ARG A 75 5.938 -16.686 -1.417 1.00 10.00 H new ATOM 0 HB3 ARG A 75 4.877 -17.871 -0.682 1.00 10.00 H new ATOM 0 HG2 ARG A 75 2.935 -16.624 -1.892 1.00 10.00 H new ATOM 0 HG3 ARG A 75 4.188 -15.825 -2.822 1.00 10.00 H new ATOM 0 HD2 ARG A 75 3.612 -18.813 -2.678 1.00 10.00 H new ATOM 0 HD3 ARG A 75 3.466 -17.770 -4.079 1.00 10.00 H new ATOM 0 HE ARG A 75 6.178 -17.665 -3.189 1.00 10.00 H new ATOM 0 HH11 ARG A 75 3.887 -19.939 -4.657 1.00 10.00 H new ATOM 0 HH12 ARG A 75 5.151 -20.870 -5.467 1.00 10.00 H new ATOM 0 HH21 ARG A 75 7.801 -18.864 -4.224 1.00 10.00 H new ATOM 0 HH22 ARG A 75 7.376 -20.259 -5.221 1.00 10.00 H new ATOM 1086 N VAL A 76 5.982 -13.893 -0.360 1.00 10.00 N ATOM 1087 CA VAL A 76 6.327 -12.515 -0.693 1.00 10.00 C ATOM 1088 C VAL A 76 7.547 -12.508 -1.610 1.00 10.00 C ATOM 1089 O VAL A 76 8.333 -13.451 -1.591 1.00 10.00 O ATOM 1090 CB VAL A 76 6.621 -11.702 0.583 1.00 10.00 C ATOM 1091 CG1 VAL A 76 5.373 -11.587 1.459 1.00 10.00 C ATOM 1092 CG2 VAL A 76 7.766 -12.298 1.417 1.00 10.00 C ATOM 0 H VAL A 76 6.803 -14.457 -0.140 1.00 10.00 H new ATOM 0 HA VAL A 76 5.482 -12.053 -1.203 1.00 10.00 H new ATOM 0 HB VAL A 76 6.929 -10.713 0.244 1.00 10.00 H new ATOM 0 HG11 VAL A 76 5.608 -11.009 2.353 1.00 10.00 H new ATOM 0 HG12 VAL A 76 4.581 -11.087 0.901 1.00 10.00 H new ATOM 0 HG13 VAL A 76 5.039 -12.583 1.749 1.00 10.00 H new ATOM 0 HG21 VAL A 76 7.929 -11.684 2.303 1.00 10.00 H new ATOM 0 HG22 VAL A 76 7.505 -13.312 1.721 1.00 10.00 H new ATOM 0 HG23 VAL A 76 8.677 -12.321 0.820 1.00 10.00 H new ATOM 1102 N GLU A 77 7.723 -11.451 -2.405 1.00 10.00 N ATOM 1103 CA GLU A 77 8.876 -11.344 -3.288 1.00 10.00 C ATOM 1104 C GLU A 77 10.137 -11.106 -2.448 1.00 10.00 C ATOM 1105 O GLU A 77 10.093 -10.378 -1.458 1.00 10.00 O ATOM 1106 CB GLU A 77 8.636 -10.238 -4.331 1.00 10.00 C ATOM 1107 CG GLU A 77 9.453 -10.421 -5.624 1.00 10.00 C ATOM 1108 CD GLU A 77 10.958 -10.269 -5.422 1.00 10.00 C ATOM 1109 OE1 GLU A 77 11.349 -9.225 -4.862 1.00 10.00 O ATOM 1110 OE2 GLU A 77 11.688 -11.209 -5.805 1.00 10.00 O ATOM 0 H GLU A 77 7.080 -10.660 -2.452 1.00 10.00 H new ATOM 0 HA GLU A 77 9.022 -12.272 -3.841 1.00 10.00 H new ATOM 0 HB2 GLU A 77 7.576 -10.211 -4.582 1.00 10.00 H new ATOM 0 HB3 GLU A 77 8.883 -9.273 -3.888 1.00 10.00 H new ATOM 0 HG2 GLU A 77 9.248 -11.409 -6.037 1.00 10.00 H new ATOM 0 HG3 GLU A 77 9.118 -9.692 -6.362 1.00 10.00 H new ATOM 1117 N ARG A 78 11.247 -11.724 -2.852 1.00 10.00 N ATOM 1118 CA ARG A 78 12.567 -11.636 -2.239 1.00 10.00 C ATOM 1119 C ARG A 78 13.141 -10.205 -2.290 1.00 10.00 C ATOM 1120 O ARG A 78 14.141 -9.952 -2.960 1.00 10.00 O ATOM 1121 CB ARG A 78 13.466 -12.628 -2.990 1.00 10.00 C ATOM 1122 CG ARG A 78 14.863 -12.838 -2.380 1.00 10.00 C ATOM 1123 CD ARG A 78 15.794 -13.431 -3.444 1.00 10.00 C ATOM 1124 NE ARG A 78 16.023 -12.453 -4.518 1.00 10.00 N ATOM 1125 CZ ARG A 78 16.489 -12.722 -5.745 1.00 10.00 C ATOM 1126 NH1 ARG A 78 16.822 -13.968 -6.096 1.00 10.00 N ATOM 1127 NH2 ARG A 78 16.616 -11.727 -6.624 1.00 10.00 N ATOM 0 H ARG A 78 11.245 -12.337 -3.667 1.00 10.00 H new ATOM 0 HA ARG A 78 12.508 -11.884 -1.179 1.00 10.00 H new ATOM 0 HB2 ARG A 78 12.958 -13.591 -3.035 1.00 10.00 H new ATOM 0 HB3 ARG A 78 13.584 -12.281 -4.017 1.00 10.00 H new ATOM 0 HG2 ARG A 78 15.261 -11.890 -2.019 1.00 10.00 H new ATOM 0 HG3 ARG A 78 14.801 -13.506 -1.521 1.00 10.00 H new ATOM 0 HD2 ARG A 78 16.744 -13.713 -2.990 1.00 10.00 H new ATOM 0 HD3 ARG A 78 15.355 -14.340 -3.857 1.00 10.00 H new ATOM 0 HE ARG A 78 15.807 -11.478 -4.309 1.00 10.00 H new ATOM 0 HH11 ARG A 78 16.723 -14.730 -5.426 1.00 10.00 H new ATOM 0 HH12 ARG A 78 17.175 -14.156 -7.034 1.00 10.00 H new ATOM 0 HH21 ARG A 78 16.360 -10.776 -6.358 1.00 10.00 H new ATOM 0 HH22 ARG A 78 16.969 -11.917 -7.562 1.00 10.00 H new ATOM 1141 N SER A 79 12.534 -9.266 -1.562 1.00 10.00 N ATOM 1142 CA SER A 79 12.967 -7.882 -1.420 1.00 10.00 C ATOM 1143 C SER A 79 12.707 -7.444 0.019 1.00 10.00 C ATOM 1144 O SER A 79 11.805 -7.969 0.670 1.00 10.00 O ATOM 1145 CB SER A 79 12.220 -6.966 -2.397 1.00 10.00 C ATOM 1146 OG SER A 79 12.654 -7.188 -3.722 1.00 10.00 O ATOM 0 H SER A 79 11.686 -9.464 -1.031 1.00 10.00 H new ATOM 0 HA SER A 79 14.030 -7.809 -1.652 1.00 10.00 H new ATOM 0 HB2 SER A 79 11.148 -7.147 -2.325 1.00 10.00 H new ATOM 0 HB3 SER A 79 12.386 -5.924 -2.125 1.00 10.00 H new ATOM 0 HG SER A 79 12.146 -7.930 -4.113 1.00 10.00 H new TER 1152 SER A 79 HETATM 1153 ZN ZN A 80 2.260 -13.749 5.276 1.00 10.00 ZN HETATM 1154 ZN ZN A 81 -11.135 -28.053 3.674 1.00 10.00 ZN