USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 443 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 110 TYR OH : rot 72:sc= 0.718 USER MOD Set 1.2: A 141 GLN : amide:sc= 0.642 X(o=1.4,f=1.6) USER MOD Single : A 83 GLN : amide:sc= -0.0854 K(o=-0.085,f=-0.73) USER MOD Single : A 85 GLN : amide:sc= -0.223 K(o=-0.22,f=-1.2) USER MOD Single : A 86 LYS NZ :NH3+ 164:sc= -0.0525 (180deg=-0.291) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 CYS SG : rot -172:sc= 0.118 USER MOD Single : A 96 HIS : no HD1:sc= -0.0534 X(o=-0.053,f=0) USER MOD Single : A 97 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.135) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 CYS SG : rot -54:sc= -0.316 USER MOD Single : A 106 HIS : no HE2:sc= -7.34! C(o=-7.3!,f=-8.1!) USER MOD Single : A 107 ASN :FLIP amide:sc= -0.262 F(o=-2.8,f=-0.26) USER MOD Single : A 108 CYS SG : rot 129:sc= -0.0113! USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -0.172 K(o=-0.17,f=-0.88) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 168:sc= -0.0107 (180deg=-0.143) USER MOD Single : A 124 SER OG : rot 38:sc= 0.639 USER MOD Single : A 127 SER OG : rot -5:sc= 0.831 USER MOD Single : A 128 ASN : amide:sc= -0.0359 K(o=-0.036,f=-0.94) USER MOD Single : A 129 LYS NZ :NH3+ 166:sc= -0.0314 (180deg=-0.256) USER MOD Single : A 131 MET CE :methyl 166:sc= -2.14! (180deg=-3.13!) USER MOD Single : A 135 ASN : amide:sc= -3.13! C(o=-3.1!,f=-12!) USER MOD Single : A 139 LYS NZ :NH3+ 172:sc= -0.0175 (180deg=-0.118) USER MOD Single : A 140 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 83 -20.561 2.990 -15.747 1.00 0.00 N ATOM 2 CA GLN A 83 -19.451 3.426 -14.859 1.00 0.00 C ATOM 3 C GLN A 83 -19.927 4.501 -13.887 1.00 0.00 C ATOM 4 O GLN A 83 -19.493 5.651 -13.955 1.00 0.00 O ATOM 5 CB GLN A 83 -18.286 3.958 -15.697 1.00 0.00 C ATOM 6 CG GLN A 83 -17.081 4.377 -14.869 1.00 0.00 C ATOM 7 CD GLN A 83 -16.517 3.238 -14.041 1.00 0.00 C ATOM 8 OE1 GLN A 83 -16.597 2.073 -14.430 1.00 0.00 O ATOM 9 NE2 GLN A 83 -15.943 3.571 -12.890 1.00 0.00 N ATOM 0 HA GLN A 83 -19.113 2.564 -14.283 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -17.979 3.189 -16.406 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -18.630 4.812 -16.281 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -16.304 4.759 -15.532 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -17.366 5.195 -14.208 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -15.899 4.550 -12.607 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -15.547 2.848 -12.290 1.00 0.00 H new ATOM 18 N GLU A 84 -20.825 4.119 -12.984 1.00 0.00 N ATOM 19 CA GLU A 84 -21.362 5.047 -11.996 1.00 0.00 C ATOM 20 C GLU A 84 -21.288 4.455 -10.592 1.00 0.00 C ATOM 21 O GLU A 84 -22.304 4.318 -9.911 1.00 0.00 O ATOM 22 CB GLU A 84 -22.810 5.403 -12.333 1.00 0.00 C ATOM 23 CG GLU A 84 -22.964 6.177 -13.633 1.00 0.00 C ATOM 24 CD GLU A 84 -22.568 5.362 -14.849 1.00 0.00 C ATOM 25 OE1 GLU A 84 -23.220 4.328 -15.109 1.00 0.00 O ATOM 26 OE2 GLU A 84 -21.604 5.754 -15.539 1.00 0.00 O ATOM 0 H GLU A 84 -21.196 3.171 -12.917 1.00 0.00 H new ATOM 0 HA GLU A 84 -20.756 5.952 -12.021 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -23.395 4.485 -12.396 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -23.229 5.993 -11.518 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -24.000 6.500 -13.738 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -22.352 7.078 -13.589 1.00 0.00 H new ATOM 33 N GLN A 85 -20.079 4.103 -10.164 1.00 0.00 N ATOM 34 CA GLN A 85 -19.876 3.528 -8.839 1.00 0.00 C ATOM 35 C GLN A 85 -19.286 4.560 -7.884 1.00 0.00 C ATOM 36 O GLN A 85 -18.071 4.626 -7.697 1.00 0.00 O ATOM 37 CB GLN A 85 -18.956 2.307 -8.921 1.00 0.00 C ATOM 38 CG GLN A 85 -18.646 1.687 -7.567 1.00 0.00 C ATOM 39 CD GLN A 85 -19.897 1.356 -6.775 1.00 0.00 C ATOM 40 OE1 GLN A 85 -20.948 1.064 -7.345 1.00 0.00 O ATOM 41 NE2 GLN A 85 -19.788 1.399 -5.451 1.00 0.00 N ATOM 0 H GLN A 85 -19.227 4.206 -10.715 1.00 0.00 H new ATOM 0 HA GLN A 85 -20.847 3.215 -8.455 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -19.421 1.554 -9.558 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -18.021 2.598 -9.401 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -18.062 0.778 -7.713 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -18.027 2.374 -6.990 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -18.897 1.646 -5.020 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -20.595 1.185 -4.866 1.00 0.00 H new ATOM 50 N LYS A 86 -20.156 5.363 -7.282 1.00 0.00 N ATOM 51 CA LYS A 86 -19.725 6.395 -6.346 1.00 0.00 C ATOM 52 C LYS A 86 -19.696 5.857 -4.920 1.00 0.00 C ATOM 53 O LYS A 86 -20.657 5.243 -4.457 1.00 0.00 O ATOM 54 CB LYS A 86 -20.655 7.606 -6.425 1.00 0.00 C ATOM 55 CG LYS A 86 -20.825 8.152 -7.833 1.00 0.00 C ATOM 56 CD LYS A 86 -19.492 8.556 -8.440 1.00 0.00 C ATOM 57 CE LYS A 86 -19.669 9.147 -9.829 1.00 0.00 C ATOM 58 NZ LYS A 86 -20.512 10.375 -9.808 1.00 0.00 N ATOM 0 H LYS A 86 -21.165 5.319 -7.426 1.00 0.00 H new ATOM 0 HA LYS A 86 -18.716 6.701 -6.622 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -21.633 7.329 -6.031 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -20.265 8.396 -5.783 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -21.298 7.398 -8.462 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -21.492 9.014 -7.812 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -19.002 9.284 -7.793 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -18.837 7.686 -8.494 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -18.692 9.385 -10.249 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -20.125 8.405 -10.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -20.391 10.895 -10.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -21.511 10.108 -9.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -20.223 10.981 -9.013 1.00 0.00 H new ATOM 72 N GLY A 87 -18.588 6.093 -4.226 1.00 0.00 N ATOM 73 CA GLY A 87 -18.456 5.626 -2.859 1.00 0.00 C ATOM 74 C GLY A 87 -17.827 4.250 -2.773 1.00 0.00 C ATOM 75 O GLY A 87 -18.503 3.269 -2.457 1.00 0.00 O ATOM 0 H GLY A 87 -17.779 6.599 -4.586 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -17.851 6.334 -2.294 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -19.440 5.602 -2.390 1.00 0.00 H new ATOM 79 N ASP A 88 -16.531 4.176 -3.054 1.00 0.00 N ATOM 80 CA ASP A 88 -15.806 2.912 -3.006 1.00 0.00 C ATOM 81 C ASP A 88 -14.993 2.803 -1.720 1.00 0.00 C ATOM 82 O ASP A 88 -14.174 3.671 -1.418 1.00 0.00 O ATOM 83 CB ASP A 88 -14.879 2.784 -4.215 1.00 0.00 C ATOM 84 CG ASP A 88 -15.629 2.858 -5.531 1.00 0.00 C ATOM 85 OD1 ASP A 88 -15.790 3.977 -6.061 1.00 0.00 O ATOM 86 OD2 ASP A 88 -16.052 1.796 -6.033 1.00 0.00 O ATOM 0 H ASP A 88 -15.960 4.979 -3.318 1.00 0.00 H new ATOM 0 HA ASP A 88 -16.536 2.103 -3.028 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.131 3.577 -4.181 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -14.342 1.837 -4.159 1.00 0.00 H new ATOM 91 N ALA A 89 -15.221 1.731 -0.967 1.00 0.00 N ATOM 92 CA ALA A 89 -14.508 1.511 0.282 1.00 0.00 C ATOM 93 C ALA A 89 -13.048 1.152 0.022 1.00 0.00 C ATOM 94 O ALA A 89 -12.687 0.746 -1.082 1.00 0.00 O ATOM 95 CB ALA A 89 -15.188 0.415 1.089 1.00 0.00 C ATOM 0 H ALA A 89 -15.895 1.002 -1.202 1.00 0.00 H new ATOM 0 HA ALA A 89 -14.531 2.437 0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -14.645 0.260 2.021 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -16.214 0.710 1.311 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -15.193 -0.511 0.514 1.00 0.00 H new ATOM 101 N PRO A 90 -12.187 1.298 1.044 1.00 0.00 N ATOM 102 CA PRO A 90 -10.765 0.998 0.942 1.00 0.00 C ATOM 103 C PRO A 90 -10.494 -0.481 1.170 1.00 0.00 C ATOM 104 O PRO A 90 -10.849 -1.020 2.215 1.00 0.00 O ATOM 105 CB PRO A 90 -10.140 1.840 2.067 1.00 0.00 C ATOM 106 CG PRO A 90 -11.281 2.466 2.813 1.00 0.00 C ATOM 107 CD PRO A 90 -12.525 1.736 2.395 1.00 0.00 C ATOM 0 HA PRO A 90 -10.359 1.225 -0.044 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -9.538 1.217 2.729 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.478 2.603 1.658 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -11.129 2.386 3.889 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -11.359 3.528 2.580 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -12.744 0.895 3.053 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -13.401 2.385 2.405 1.00 0.00 H new ATOM 115 N THR A 91 -9.854 -1.133 0.207 1.00 0.00 N ATOM 116 CA THR A 91 -9.578 -2.562 0.331 1.00 0.00 C ATOM 117 C THR A 91 -8.179 -2.935 -0.126 1.00 0.00 C ATOM 118 O THR A 91 -7.616 -2.327 -1.035 1.00 0.00 O ATOM 119 CB THR A 91 -10.590 -3.411 -0.459 1.00 0.00 C ATOM 120 OG1 THR A 91 -10.836 -2.822 -1.742 1.00 0.00 O ATOM 121 CG2 THR A 91 -11.893 -3.544 0.310 1.00 0.00 C ATOM 0 H THR A 91 -9.520 -0.705 -0.656 1.00 0.00 H new ATOM 0 HA THR A 91 -9.667 -2.776 1.396 1.00 0.00 H new ATOM 0 HB THR A 91 -10.167 -4.406 -0.600 1.00 0.00 H new ATOM 0 HG1 THR A 91 -11.480 -3.371 -2.236 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.595 -4.148 -0.265 1.00 0.00 H new ATOM 0 HG22 THR A 91 -11.702 -4.025 1.269 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.318 -2.555 0.479 1.00 0.00 H new ATOM 129 N CYS A 92 -7.641 -3.961 0.519 1.00 0.00 N ATOM 130 CA CYS A 92 -6.314 -4.472 0.215 1.00 0.00 C ATOM 131 C CYS A 92 -6.324 -5.262 -1.092 1.00 0.00 C ATOM 132 O CYS A 92 -7.223 -6.069 -1.329 1.00 0.00 O ATOM 133 CB CYS A 92 -5.852 -5.361 1.367 1.00 0.00 C ATOM 134 SG CYS A 92 -4.172 -6.000 1.213 1.00 0.00 S ATOM 0 H CYS A 92 -8.115 -4.463 1.270 1.00 0.00 H new ATOM 0 HA CYS A 92 -5.625 -3.636 0.095 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -5.925 -4.794 2.295 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.538 -6.203 1.453 1.00 0.00 H new ATOM 0 HG CYS A 92 -3.953 -6.875 2.149 1.00 0.00 H new ATOM 139 N GLY A 93 -5.321 -5.030 -1.935 1.00 0.00 N ATOM 140 CA GLY A 93 -5.243 -5.728 -3.208 1.00 0.00 C ATOM 141 C GLY A 93 -4.610 -7.106 -3.100 1.00 0.00 C ATOM 142 O GLY A 93 -4.299 -7.732 -4.112 1.00 0.00 O ATOM 0 H GLY A 93 -4.562 -4.372 -1.760 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.246 -5.828 -3.622 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.667 -5.125 -3.910 1.00 0.00 H new ATOM 146 N ILE A 94 -4.418 -7.580 -1.872 1.00 0.00 N ATOM 147 CA ILE A 94 -3.824 -8.887 -1.639 1.00 0.00 C ATOM 148 C ILE A 94 -4.807 -9.811 -0.925 1.00 0.00 C ATOM 149 O ILE A 94 -5.277 -10.793 -1.499 1.00 0.00 O ATOM 150 CB ILE A 94 -2.524 -8.771 -0.809 1.00 0.00 C ATOM 151 CG1 ILE A 94 -1.481 -7.964 -1.575 1.00 0.00 C ATOM 152 CG2 ILE A 94 -1.970 -10.146 -0.465 1.00 0.00 C ATOM 153 CD1 ILE A 94 -1.690 -6.469 -1.506 1.00 0.00 C ATOM 0 H ILE A 94 -4.667 -7.074 -1.022 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.580 -9.312 -2.613 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.762 -8.256 0.122 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.492 -8.201 -1.182 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.492 -8.274 -2.620 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.056 -10.034 0.119 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.707 -10.700 0.117 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.750 -10.690 -1.384 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.908 -5.966 -2.075 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.664 -6.218 -1.927 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.649 -6.143 -0.467 1.00 0.00 H new ATOM 165 N CYS A 95 -5.114 -9.491 0.327 1.00 0.00 N ATOM 166 CA CYS A 95 -6.039 -10.300 1.113 1.00 0.00 C ATOM 167 C CYS A 95 -7.485 -9.816 0.968 1.00 0.00 C ATOM 168 O CYS A 95 -8.420 -10.508 1.372 1.00 0.00 O ATOM 169 CB CYS A 95 -5.623 -10.322 2.590 1.00 0.00 C ATOM 170 SG CYS A 95 -5.180 -8.695 3.283 1.00 0.00 S ATOM 0 H CYS A 95 -4.738 -8.680 0.818 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.993 -11.317 0.722 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -6.440 -10.741 3.177 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.772 -10.994 2.703 1.00 0.00 H new ATOM 175 N HIS A 96 -7.667 -8.624 0.393 1.00 0.00 N ATOM 176 CA HIS A 96 -9.000 -8.067 0.188 1.00 0.00 C ATOM 177 C HIS A 96 -9.821 -8.108 1.472 1.00 0.00 C ATOM 178 O HIS A 96 -11.052 -8.111 1.432 1.00 0.00 O ATOM 179 CB HIS A 96 -9.729 -8.830 -0.918 1.00 0.00 C ATOM 180 CG HIS A 96 -9.015 -8.805 -2.234 1.00 0.00 C ATOM 181 ND1 HIS A 96 -8.327 -9.890 -2.738 1.00 0.00 N ATOM 182 CD2 HIS A 96 -8.889 -7.822 -3.157 1.00 0.00 C ATOM 183 CE1 HIS A 96 -7.808 -9.573 -3.911 1.00 0.00 C ATOM 184 NE2 HIS A 96 -8.134 -8.325 -4.188 1.00 0.00 N ATOM 0 H HIS A 96 -6.907 -8.029 0.063 1.00 0.00 H new ATOM 0 HA HIS A 96 -8.883 -7.025 -0.110 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -9.863 -9.866 -0.606 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -10.724 -8.405 -1.046 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -9.305 -6.827 -3.094 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -7.217 -10.225 -4.537 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -7.868 -7.816 -5.031 1.00 0.00 H new ATOM 193 N LYS A 97 -9.135 -8.134 2.608 1.00 0.00 N ATOM 194 CA LYS A 97 -9.803 -8.174 3.903 1.00 0.00 C ATOM 195 C LYS A 97 -9.614 -6.850 4.631 1.00 0.00 C ATOM 196 O LYS A 97 -10.580 -6.145 4.923 1.00 0.00 O ATOM 197 CB LYS A 97 -9.249 -9.324 4.749 1.00 0.00 C ATOM 198 CG LYS A 97 -10.162 -9.743 5.892 1.00 0.00 C ATOM 199 CD LYS A 97 -10.366 -8.619 6.894 1.00 0.00 C ATOM 200 CE LYS A 97 -11.141 -9.097 8.112 1.00 0.00 C ATOM 201 NZ LYS A 97 -12.485 -9.621 7.742 1.00 0.00 N ATOM 0 H LYS A 97 -8.116 -8.128 2.659 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.868 -8.339 3.743 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.072 -10.185 4.104 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.283 -9.029 5.158 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.127 -10.052 5.491 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -9.736 -10.609 6.399 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.398 -8.228 7.207 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -10.903 -7.798 6.418 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -10.574 -9.877 8.620 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -11.253 -8.274 8.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.027 -9.826 8.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -12.991 -8.910 7.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -12.377 -10.493 7.186 1.00 0.00 H new ATOM 215 N THR A 98 -8.362 -6.520 4.919 1.00 0.00 N ATOM 216 CA THR A 98 -8.033 -5.281 5.604 1.00 0.00 C ATOM 217 C THR A 98 -8.434 -4.071 4.765 1.00 0.00 C ATOM 218 O THR A 98 -7.889 -3.845 3.684 1.00 0.00 O ATOM 219 CB THR A 98 -6.523 -5.217 5.922 1.00 0.00 C ATOM 220 OG1 THR A 98 -6.174 -6.252 6.849 1.00 0.00 O ATOM 221 CG2 THR A 98 -6.129 -3.864 6.500 1.00 0.00 C ATOM 0 H THR A 98 -7.555 -7.098 4.686 1.00 0.00 H new ATOM 0 HA THR A 98 -8.593 -5.260 6.539 1.00 0.00 H new ATOM 0 HB THR A 98 -5.981 -5.359 4.987 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.215 -6.206 7.045 1.00 0.00 H new ATOM 0 HG21 THR A 98 -5.060 -3.856 6.711 1.00 0.00 H new ATOM 0 HG22 THR A 98 -6.363 -3.079 5.781 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.682 -3.687 7.422 1.00 0.00 H new ATOM 229 N LYS A 99 -9.396 -3.300 5.264 1.00 0.00 N ATOM 230 CA LYS A 99 -9.855 -2.113 4.568 1.00 0.00 C ATOM 231 C LYS A 99 -9.080 -0.896 5.052 1.00 0.00 C ATOM 232 O LYS A 99 -9.062 -0.593 6.244 1.00 0.00 O ATOM 233 CB LYS A 99 -11.353 -1.906 4.796 1.00 0.00 C ATOM 234 CG LYS A 99 -12.219 -3.023 4.238 1.00 0.00 C ATOM 235 CD LYS A 99 -13.649 -2.923 4.744 1.00 0.00 C ATOM 236 CE LYS A 99 -14.254 -1.563 4.439 1.00 0.00 C ATOM 237 NZ LYS A 99 -15.646 -1.445 4.956 1.00 0.00 N ATOM 0 H LYS A 99 -9.870 -3.480 6.149 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.682 -2.245 3.500 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.539 -1.815 5.866 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.654 -0.963 4.339 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.213 -2.980 3.149 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.798 -3.988 4.521 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -14.255 -3.703 4.283 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -13.668 -3.098 5.820 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -13.635 -0.783 4.882 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -14.252 -1.398 3.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -16.023 -0.503 4.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -16.243 -2.173 4.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -15.645 -1.577 5.988 1.00 0.00 H new ATOM 251 N PHE A 100 -8.441 -0.203 4.120 1.00 0.00 N ATOM 252 CA PHE A 100 -7.649 0.975 4.461 1.00 0.00 C ATOM 253 C PHE A 100 -8.479 1.985 5.244 1.00 0.00 C ATOM 254 O PHE A 100 -9.683 1.812 5.425 1.00 0.00 O ATOM 255 CB PHE A 100 -7.099 1.640 3.200 1.00 0.00 C ATOM 256 CG PHE A 100 -6.600 0.676 2.165 1.00 0.00 C ATOM 257 CD1 PHE A 100 -5.721 -0.339 2.507 1.00 0.00 C ATOM 258 CD2 PHE A 100 -6.991 0.802 0.841 1.00 0.00 C ATOM 259 CE1 PHE A 100 -5.238 -1.209 1.548 1.00 0.00 C ATOM 260 CE2 PHE A 100 -6.516 -0.067 -0.121 1.00 0.00 C ATOM 261 CZ PHE A 100 -5.638 -1.073 0.233 1.00 0.00 C ATOM 0 H PHE A 100 -8.454 -0.433 3.126 1.00 0.00 H new ATOM 0 HA PHE A 100 -6.818 0.643 5.084 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.881 2.258 2.758 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.285 2.308 3.481 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.410 -0.452 3.535 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.675 1.589 0.559 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.550 -1.993 1.826 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -6.830 0.040 -1.149 1.00 0.00 H new ATOM 0 HZ PHE A 100 -5.264 -1.753 -0.518 1.00 0.00 H new ATOM 271 N ALA A 101 -7.818 3.043 5.707 1.00 0.00 N ATOM 272 CA ALA A 101 -8.485 4.092 6.466 1.00 0.00 C ATOM 273 C ALA A 101 -8.646 5.349 5.620 1.00 0.00 C ATOM 274 O ALA A 101 -7.780 5.672 4.806 1.00 0.00 O ATOM 275 CB ALA A 101 -7.707 4.403 7.735 1.00 0.00 C ATOM 0 H ALA A 101 -6.819 3.195 5.568 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.477 3.737 6.744 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.218 5.189 8.292 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.642 3.506 8.351 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.703 4.738 7.474 1.00 0.00 H new ATOM 281 N ASP A 102 -9.762 6.048 5.808 1.00 0.00 N ATOM 282 CA ASP A 102 -10.045 7.272 5.060 1.00 0.00 C ATOM 283 C ASP A 102 -9.758 7.089 3.571 1.00 0.00 C ATOM 284 O ASP A 102 -9.448 8.049 2.865 1.00 0.00 O ATOM 285 CB ASP A 102 -9.225 8.442 5.613 1.00 0.00 C ATOM 286 CG ASP A 102 -7.735 8.265 5.400 1.00 0.00 C ATOM 287 OD1 ASP A 102 -7.083 7.639 6.263 1.00 0.00 O ATOM 288 OD2 ASP A 102 -7.220 8.749 4.370 1.00 0.00 O ATOM 0 H ASP A 102 -10.489 5.787 6.475 1.00 0.00 H new ATOM 0 HA ASP A 102 -11.105 7.496 5.178 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -9.549 9.366 5.134 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -9.425 8.549 6.679 1.00 0.00 H new ATOM 293 N GLY A 103 -9.866 5.850 3.099 1.00 0.00 N ATOM 294 CA GLY A 103 -9.617 5.562 1.698 1.00 0.00 C ATOM 295 C GLY A 103 -8.234 5.985 1.244 1.00 0.00 C ATOM 296 O GLY A 103 -8.080 6.577 0.177 1.00 0.00 O ATOM 0 H GLY A 103 -10.122 5.040 3.663 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -9.739 4.493 1.525 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -10.365 6.071 1.090 1.00 0.00 H new ATOM 300 N CYS A 104 -7.222 5.682 2.053 1.00 0.00 N ATOM 301 CA CYS A 104 -5.848 6.040 1.715 1.00 0.00 C ATOM 302 C CYS A 104 -4.858 4.998 2.232 1.00 0.00 C ATOM 303 O CYS A 104 -3.934 5.329 2.975 1.00 0.00 O ATOM 304 CB CYS A 104 -5.501 7.413 2.294 1.00 0.00 C ATOM 305 SG CYS A 104 -3.825 7.974 1.909 1.00 0.00 S ATOM 0 H CYS A 104 -7.327 5.192 2.942 1.00 0.00 H new ATOM 0 HA CYS A 104 -5.772 6.074 0.628 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -6.214 8.146 1.916 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -5.622 7.380 3.377 1.00 0.00 H new ATOM 0 HG CYS A 104 -2.968 7.070 2.282 1.00 0.00 H new ATOM 311 N GLY A 105 -5.049 3.742 1.839 1.00 0.00 N ATOM 312 CA GLY A 105 -4.151 2.691 2.285 1.00 0.00 C ATOM 313 C GLY A 105 -2.728 2.888 1.809 1.00 0.00 C ATOM 314 O GLY A 105 -2.351 3.974 1.371 1.00 0.00 O ATOM 0 H GLY A 105 -5.803 3.435 1.225 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.162 2.650 3.374 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.519 1.730 1.926 1.00 0.00 H new ATOM 318 N HIS A 106 -1.939 1.823 1.896 1.00 0.00 N ATOM 319 CA HIS A 106 -0.549 1.860 1.467 1.00 0.00 C ATOM 320 C HIS A 106 -0.413 1.249 0.081 1.00 0.00 C ATOM 321 O HIS A 106 -0.664 0.060 -0.113 1.00 0.00 O ATOM 322 CB HIS A 106 0.332 1.107 2.464 1.00 0.00 C ATOM 323 CG HIS A 106 0.068 1.488 3.887 1.00 0.00 C ATOM 324 ND1 HIS A 106 0.291 2.757 4.381 1.00 0.00 N ATOM 325 CD2 HIS A 106 -0.418 0.764 4.924 1.00 0.00 C ATOM 326 CE1 HIS A 106 -0.046 2.798 5.657 1.00 0.00 C ATOM 327 NE2 HIS A 106 -0.480 1.602 6.011 1.00 0.00 N ATOM 0 H HIS A 106 -2.242 0.920 2.262 1.00 0.00 H new ATOM 0 HA HIS A 106 -0.222 2.899 1.427 1.00 0.00 H new ATOM 0 HB2 HIS A 106 0.170 0.036 2.345 1.00 0.00 H new ATOM 0 HB3 HIS A 106 1.379 1.299 2.231 1.00 0.00 H new ATOM 0 HD1 HIS A 106 0.659 3.542 3.844 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -0.703 -0.277 4.901 1.00 0.00 H new ATOM 0 HE1 HIS A 106 0.022 3.662 6.301 1.00 0.00 H new ATOM 336 N ASN A 107 -0.020 2.070 -0.881 1.00 0.00 N ATOM 337 CA ASN A 107 0.133 1.615 -2.256 1.00 0.00 C ATOM 338 C ASN A 107 1.603 1.426 -2.613 1.00 0.00 C ATOM 339 O ASN A 107 2.447 2.258 -2.281 1.00 0.00 O ATOM 340 CB ASN A 107 -0.517 2.613 -3.217 1.00 0.00 C ATOM 341 CG ASN A 107 -1.854 3.145 -2.716 1.00 0.00 C ATOM 342 OD1 ASN A 107 -2.543 2.372 -1.875 1.00 0.00 O flip ATOM 343 ND2 ASN A 107 -2.265 4.247 -3.078 1.00 0.00 N flip ATOM 0 H ASN A 107 0.199 3.056 -0.736 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.366 0.650 -2.350 1.00 0.00 H new ATOM 0 HB2 ASN A 107 0.163 3.450 -3.376 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -0.664 2.133 -4.185 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -1.711 4.811 -3.722 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -3.159 4.596 -2.734 1.00 0.00 H new ATOM 350 N CYS A 108 1.900 0.324 -3.294 1.00 0.00 N ATOM 351 CA CYS A 108 3.266 0.018 -3.699 1.00 0.00 C ATOM 352 C CYS A 108 3.872 1.176 -4.483 1.00 0.00 C ATOM 353 O CYS A 108 3.307 1.632 -5.476 1.00 0.00 O ATOM 354 CB CYS A 108 3.295 -1.247 -4.558 1.00 0.00 C ATOM 355 SG CYS A 108 4.958 -1.882 -4.864 1.00 0.00 S ATOM 0 H CYS A 108 1.211 -0.373 -3.577 1.00 0.00 H new ATOM 0 HA CYS A 108 3.855 -0.143 -2.796 1.00 0.00 H new ATOM 0 HB2 CYS A 108 2.705 -2.021 -4.068 1.00 0.00 H new ATOM 0 HB3 CYS A 108 2.815 -1.037 -5.514 1.00 0.00 H new ATOM 0 HG CYS A 108 4.999 -3.149 -4.575 1.00 0.00 H new ATOM 360 N SER A 109 5.029 1.646 -4.030 1.00 0.00 N ATOM 361 CA SER A 109 5.717 2.749 -4.690 1.00 0.00 C ATOM 362 C SER A 109 6.045 2.412 -6.145 1.00 0.00 C ATOM 363 O SER A 109 6.331 3.304 -6.945 1.00 0.00 O ATOM 364 CB SER A 109 7.003 3.097 -3.936 1.00 0.00 C ATOM 365 OG SER A 109 7.698 4.155 -4.574 1.00 0.00 O ATOM 0 H SER A 109 5.510 1.280 -3.208 1.00 0.00 H new ATOM 0 HA SER A 109 5.048 3.610 -4.683 1.00 0.00 H new ATOM 0 HB2 SER A 109 6.762 3.382 -2.912 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.645 2.218 -3.880 1.00 0.00 H new ATOM 0 HG SER A 109 8.515 4.359 -4.072 1.00 0.00 H new ATOM 371 N TYR A 110 6.007 1.123 -6.485 1.00 0.00 N ATOM 372 CA TYR A 110 6.310 0.684 -7.843 1.00 0.00 C ATOM 373 C TYR A 110 5.063 0.148 -8.547 1.00 0.00 C ATOM 374 O TYR A 110 4.530 0.788 -9.453 1.00 0.00 O ATOM 375 CB TYR A 110 7.402 -0.387 -7.816 1.00 0.00 C ATOM 376 CG TYR A 110 8.636 0.027 -7.045 1.00 0.00 C ATOM 377 CD1 TYR A 110 8.719 -0.169 -5.670 1.00 0.00 C ATOM 378 CD2 TYR A 110 9.716 0.614 -7.690 1.00 0.00 C ATOM 379 CE1 TYR A 110 9.844 0.210 -4.963 1.00 0.00 C ATOM 380 CE2 TYR A 110 10.845 0.994 -6.989 1.00 0.00 C ATOM 381 CZ TYR A 110 10.903 0.790 -5.626 1.00 0.00 C ATOM 382 OH TYR A 110 12.026 1.169 -4.924 1.00 0.00 O ATOM 0 H TYR A 110 5.770 0.369 -5.840 1.00 0.00 H new ATOM 0 HA TYR A 110 6.666 1.547 -8.405 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.996 -1.297 -7.374 1.00 0.00 H new ATOM 0 HB3 TYR A 110 7.687 -0.629 -8.840 1.00 0.00 H new ATOM 0 HD1 TYR A 110 7.891 -0.625 -5.147 1.00 0.00 H new ATOM 0 HD2 TYR A 110 9.673 0.776 -8.757 1.00 0.00 H new ATOM 0 HE1 TYR A 110 9.893 0.052 -3.896 1.00 0.00 H new ATOM 0 HE2 TYR A 110 11.677 1.448 -7.506 1.00 0.00 H new ATOM 0 HH TYR A 110 12.527 0.372 -4.653 1.00 0.00 H new ATOM 392 N CYS A 111 4.612 -1.031 -8.133 1.00 0.00 N ATOM 393 CA CYS A 111 3.429 -1.654 -8.721 1.00 0.00 C ATOM 394 C CYS A 111 2.210 -0.742 -8.611 1.00 0.00 C ATOM 395 O CYS A 111 1.273 -0.848 -9.400 1.00 0.00 O ATOM 396 CB CYS A 111 3.127 -2.983 -8.024 1.00 0.00 C ATOM 397 SG CYS A 111 4.581 -4.057 -7.796 1.00 0.00 S ATOM 0 H CYS A 111 5.049 -1.577 -7.390 1.00 0.00 H new ATOM 0 HA CYS A 111 3.640 -1.831 -9.776 1.00 0.00 H new ATOM 0 HB2 CYS A 111 2.686 -2.776 -7.049 1.00 0.00 H new ATOM 0 HB3 CYS A 111 2.379 -3.523 -8.605 1.00 0.00 H new ATOM 402 N GLN A 112 2.233 0.146 -7.618 1.00 0.00 N ATOM 403 CA GLN A 112 1.131 1.077 -7.378 1.00 0.00 C ATOM 404 C GLN A 112 -0.106 0.359 -6.828 1.00 0.00 C ATOM 405 O GLN A 112 -1.155 0.977 -6.648 1.00 0.00 O ATOM 406 CB GLN A 112 0.766 1.840 -8.655 1.00 0.00 C ATOM 407 CG GLN A 112 1.919 2.639 -9.239 1.00 0.00 C ATOM 408 CD GLN A 112 2.498 3.637 -8.253 1.00 0.00 C ATOM 409 OE1 GLN A 112 1.792 4.151 -7.385 1.00 0.00 O ATOM 410 NE2 GLN A 112 3.791 3.915 -8.384 1.00 0.00 N ATOM 0 H GLN A 112 3.009 0.240 -6.962 1.00 0.00 H new ATOM 0 HA GLN A 112 1.474 1.790 -6.628 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.411 1.131 -9.403 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.061 2.516 -8.440 1.00 0.00 H new ATOM 0 HG2 GLN A 112 2.704 1.955 -9.560 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.575 3.169 -10.127 1.00 0.00 H new ATOM 0 HE21 GLN A 112 4.338 3.465 -9.118 1.00 0.00 H new ATOM 0 HE22 GLN A 112 4.237 4.578 -7.750 1.00 0.00 H new ATOM 419 N THR A 113 0.017 -0.943 -6.561 1.00 0.00 N ATOM 420 CA THR A 113 -1.094 -1.719 -6.030 1.00 0.00 C ATOM 421 C THR A 113 -1.443 -1.268 -4.619 1.00 0.00 C ATOM 422 O THR A 113 -0.557 -0.948 -3.825 1.00 0.00 O ATOM 423 CB THR A 113 -0.773 -3.226 -6.009 1.00 0.00 C ATOM 424 OG1 THR A 113 -0.460 -3.679 -7.332 1.00 0.00 O ATOM 425 CG2 THR A 113 -1.950 -4.022 -5.460 1.00 0.00 C ATOM 0 H THR A 113 0.874 -1.476 -6.705 1.00 0.00 H new ATOM 0 HA THR A 113 -1.945 -1.549 -6.690 1.00 0.00 H new ATOM 0 HB THR A 113 0.087 -3.383 -5.359 1.00 0.00 H new ATOM 0 HG1 THR A 113 -0.256 -4.637 -7.310 1.00 0.00 H new ATOM 0 HG21 THR A 113 -1.701 -5.083 -5.455 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.168 -3.695 -4.443 1.00 0.00 H new ATOM 0 HG23 THR A 113 -2.825 -3.858 -6.089 1.00 0.00 H new ATOM 433 N LYS A 114 -2.733 -1.243 -4.307 1.00 0.00 N ATOM 434 CA LYS A 114 -3.180 -0.832 -2.985 1.00 0.00 C ATOM 435 C LYS A 114 -3.132 -2.006 -2.017 1.00 0.00 C ATOM 436 O LYS A 114 -3.854 -2.989 -2.182 1.00 0.00 O ATOM 437 CB LYS A 114 -4.596 -0.261 -3.047 1.00 0.00 C ATOM 438 CG LYS A 114 -4.746 0.887 -4.033 1.00 0.00 C ATOM 439 CD LYS A 114 -6.120 1.530 -3.939 1.00 0.00 C ATOM 440 CE LYS A 114 -6.257 2.696 -4.905 1.00 0.00 C ATOM 441 NZ LYS A 114 -6.148 2.259 -6.324 1.00 0.00 N ATOM 0 H LYS A 114 -3.483 -1.501 -4.948 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.507 -0.053 -2.626 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.288 -1.057 -3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.884 0.084 -2.054 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.979 1.637 -3.839 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -4.584 0.520 -5.047 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.887 0.786 -4.154 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.291 1.878 -2.920 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.218 3.185 -4.749 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.485 3.436 -4.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.446 3.034 -6.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -5.162 2.004 -6.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -6.760 1.433 -6.481 1.00 0.00 H new ATOM 455 N PHE A 115 -2.276 -1.898 -1.007 1.00 0.00 N ATOM 456 CA PHE A 115 -2.129 -2.960 -0.020 1.00 0.00 C ATOM 457 C PHE A 115 -2.166 -2.416 1.403 1.00 0.00 C ATOM 458 O PHE A 115 -2.009 -1.217 1.631 1.00 0.00 O ATOM 459 CB PHE A 115 -0.836 -3.741 -0.258 1.00 0.00 C ATOM 460 CG PHE A 115 0.417 -2.913 -0.204 1.00 0.00 C ATOM 461 CD1 PHE A 115 0.819 -2.305 0.975 1.00 0.00 C ATOM 462 CD2 PHE A 115 1.205 -2.760 -1.333 1.00 0.00 C ATOM 463 CE1 PHE A 115 1.983 -1.562 1.025 1.00 0.00 C ATOM 464 CE2 PHE A 115 2.368 -2.016 -1.288 1.00 0.00 C ATOM 465 CZ PHE A 115 2.757 -1.419 -0.110 1.00 0.00 C ATOM 0 H PHE A 115 -1.675 -1.088 -0.851 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.976 -3.636 -0.139 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.764 -4.533 0.487 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.894 -4.225 -1.233 1.00 0.00 H new ATOM 0 HD1 PHE A 115 0.216 -2.413 1.864 1.00 0.00 H new ATOM 0 HD2 PHE A 115 0.907 -3.228 -2.259 1.00 0.00 H new ATOM 0 HE1 PHE A 115 2.287 -1.094 1.950 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.972 -1.903 -2.176 1.00 0.00 H new ATOM 0 HZ PHE A 115 3.667 -0.839 -0.073 1.00 0.00 H new ATOM 475 N CYS A 116 -2.378 -3.319 2.356 1.00 0.00 N ATOM 476 CA CYS A 116 -2.450 -2.959 3.766 1.00 0.00 C ATOM 477 C CYS A 116 -1.061 -2.947 4.391 1.00 0.00 C ATOM 478 O CYS A 116 -0.091 -3.394 3.781 1.00 0.00 O ATOM 479 CB CYS A 116 -3.349 -3.944 4.519 1.00 0.00 C ATOM 480 SG CYS A 116 -2.747 -5.665 4.506 1.00 0.00 S ATOM 0 H CYS A 116 -2.504 -4.315 2.173 1.00 0.00 H new ATOM 0 HA CYS A 116 -2.875 -1.958 3.841 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -3.446 -3.613 5.553 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -4.347 -3.916 4.080 1.00 0.00 H new ATOM 485 N ALA A 117 -0.972 -2.445 5.616 1.00 0.00 N ATOM 486 CA ALA A 117 0.300 -2.379 6.324 1.00 0.00 C ATOM 487 C ALA A 117 0.910 -3.767 6.516 1.00 0.00 C ATOM 488 O ALA A 117 2.094 -3.894 6.827 1.00 0.00 O ATOM 489 CB ALA A 117 0.119 -1.692 7.669 1.00 0.00 C ATOM 0 H ALA A 117 -1.766 -2.077 6.140 1.00 0.00 H new ATOM 0 HA ALA A 117 0.990 -1.795 5.714 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.077 -1.649 8.188 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.255 -0.680 7.513 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.595 -2.254 8.271 1.00 0.00 H new ATOM 495 N ARG A 118 0.099 -4.808 6.329 1.00 0.00 N ATOM 496 CA ARG A 118 0.569 -6.179 6.491 1.00 0.00 C ATOM 497 C ARG A 118 1.059 -6.761 5.166 1.00 0.00 C ATOM 498 O ARG A 118 1.793 -7.749 5.152 1.00 0.00 O ATOM 499 CB ARG A 118 -0.547 -7.054 7.061 1.00 0.00 C ATOM 500 CG ARG A 118 -1.102 -6.545 8.382 1.00 0.00 C ATOM 501 CD ARG A 118 -2.262 -7.400 8.866 1.00 0.00 C ATOM 502 NE ARG A 118 -1.867 -8.789 9.081 1.00 0.00 N ATOM 503 CZ ARG A 118 -2.711 -9.743 9.459 1.00 0.00 C ATOM 504 NH1 ARG A 118 -3.988 -9.455 9.667 1.00 0.00 N ATOM 505 NH2 ARG A 118 -2.277 -10.984 9.630 1.00 0.00 N ATOM 0 H ARG A 118 -0.883 -4.726 6.066 1.00 0.00 H new ATOM 0 HA ARG A 118 1.409 -6.164 7.186 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -1.357 -7.114 6.335 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -0.168 -8.067 7.201 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -0.312 -6.543 9.133 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -1.433 -5.513 8.265 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -2.654 -6.987 9.796 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -3.070 -7.362 8.135 1.00 0.00 H new ATOM 0 HE ARG A 118 -0.890 -9.041 8.933 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -4.323 -8.501 9.537 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -4.635 -10.188 9.957 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -1.294 -11.207 9.471 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -2.926 -11.716 9.920 1.00 0.00 H new ATOM 519 N CYS A 119 0.653 -6.151 4.054 1.00 0.00 N ATOM 520 CA CYS A 119 1.065 -6.622 2.738 1.00 0.00 C ATOM 521 C CYS A 119 2.087 -5.676 2.116 1.00 0.00 C ATOM 522 O CYS A 119 2.173 -5.549 0.894 1.00 0.00 O ATOM 523 CB CYS A 119 -0.149 -6.757 1.822 1.00 0.00 C ATOM 524 SG CYS A 119 -1.249 -8.149 2.241 1.00 0.00 S ATOM 0 H CYS A 119 0.042 -5.334 4.040 1.00 0.00 H new ATOM 0 HA CYS A 119 1.531 -7.600 2.858 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -0.723 -5.831 1.859 1.00 0.00 H new ATOM 0 HB3 CYS A 119 0.196 -6.877 0.795 1.00 0.00 H new ATOM 529 N GLY A 120 2.863 -5.022 2.971 1.00 0.00 N ATOM 530 CA GLY A 120 3.877 -4.092 2.502 1.00 0.00 C ATOM 531 C GLY A 120 4.594 -3.399 3.645 1.00 0.00 C ATOM 532 O GLY A 120 4.199 -3.533 4.803 1.00 0.00 O ATOM 0 H GLY A 120 2.809 -5.118 3.985 1.00 0.00 H new ATOM 0 HA2 GLY A 120 4.604 -4.628 1.891 1.00 0.00 H new ATOM 0 HA3 GLY A 120 3.412 -3.344 1.861 1.00 0.00 H new ATOM 536 N GLY A 121 5.650 -2.657 3.324 1.00 0.00 N ATOM 537 CA GLY A 121 6.400 -1.957 4.354 1.00 0.00 C ATOM 538 C GLY A 121 6.333 -0.448 4.208 1.00 0.00 C ATOM 539 O GLY A 121 6.141 0.068 3.107 1.00 0.00 O ATOM 0 H GLY A 121 5.999 -2.528 2.374 1.00 0.00 H new ATOM 0 HA2 GLY A 121 6.014 -2.240 5.333 1.00 0.00 H new ATOM 0 HA3 GLY A 121 7.442 -2.275 4.318 1.00 0.00 H new ATOM 543 N ARG A 122 6.490 0.261 5.324 1.00 0.00 N ATOM 544 CA ARG A 122 6.449 1.720 5.317 1.00 0.00 C ATOM 545 C ARG A 122 7.840 2.298 5.079 1.00 0.00 C ATOM 546 O ARG A 122 8.797 1.936 5.764 1.00 0.00 O ATOM 547 CB ARG A 122 5.887 2.246 6.640 1.00 0.00 C ATOM 548 CG ARG A 122 6.840 2.095 7.815 1.00 0.00 C ATOM 549 CD ARG A 122 6.230 2.639 9.097 1.00 0.00 C ATOM 550 NE ARG A 122 7.183 2.639 10.202 1.00 0.00 N ATOM 551 CZ ARG A 122 6.897 3.087 11.421 1.00 0.00 C ATOM 552 NH1 ARG A 122 5.687 3.561 11.688 1.00 0.00 N ATOM 553 NH2 ARG A 122 7.819 3.060 12.374 1.00 0.00 N ATOM 0 H ARG A 122 6.647 -0.152 6.244 1.00 0.00 H new ATOM 0 HA ARG A 122 5.795 2.036 4.504 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.634 3.300 6.523 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.960 1.718 6.866 1.00 0.00 H new ATOM 0 HG2 ARG A 122 7.092 1.043 7.948 1.00 0.00 H new ATOM 0 HG3 ARG A 122 7.770 2.621 7.601 1.00 0.00 H new ATOM 0 HD2 ARG A 122 5.874 3.655 8.926 1.00 0.00 H new ATOM 0 HD3 ARG A 122 5.362 2.039 9.368 1.00 0.00 H new ATOM 0 HE ARG A 122 8.120 2.275 10.030 1.00 0.00 H new ATOM 0 HH11 ARG A 122 4.975 3.582 10.958 1.00 0.00 H new ATOM 0 HH12 ARG A 122 5.469 3.904 12.623 1.00 0.00 H new ATOM 0 HH21 ARG A 122 8.750 2.695 12.173 1.00 0.00 H new ATOM 0 HH22 ARG A 122 7.597 3.404 13.308 1.00 0.00 H new ATOM 567 N VAL A 123 7.948 3.198 4.107 1.00 0.00 N ATOM 568 CA VAL A 123 9.227 3.820 3.787 1.00 0.00 C ATOM 569 C VAL A 123 9.072 5.320 3.559 1.00 0.00 C ATOM 570 O VAL A 123 8.773 5.762 2.450 1.00 0.00 O ATOM 571 CB VAL A 123 9.864 3.185 2.537 1.00 0.00 C ATOM 572 CG1 VAL A 123 11.226 3.804 2.259 1.00 0.00 C ATOM 573 CG2 VAL A 123 9.978 1.677 2.704 1.00 0.00 C ATOM 0 H VAL A 123 7.168 3.512 3.529 1.00 0.00 H new ATOM 0 HA VAL A 123 9.880 3.653 4.644 1.00 0.00 H new ATOM 0 HB VAL A 123 9.219 3.384 1.681 1.00 0.00 H new ATOM 0 HG11 VAL A 123 11.661 3.343 1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 123 11.112 4.875 2.092 1.00 0.00 H new ATOM 0 HG13 VAL A 123 11.882 3.638 3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 123 10.430 1.245 1.811 1.00 0.00 H new ATOM 0 HG22 VAL A 123 10.600 1.453 3.571 1.00 0.00 H new ATOM 0 HG23 VAL A 123 8.985 1.251 2.850 1.00 0.00 H new ATOM 583 N SER A 124 9.278 6.099 4.617 1.00 0.00 N ATOM 584 CA SER A 124 9.166 7.551 4.531 1.00 0.00 C ATOM 585 C SER A 124 10.525 8.179 4.244 1.00 0.00 C ATOM 586 O SER A 124 11.425 8.145 5.084 1.00 0.00 O ATOM 587 CB SER A 124 8.589 8.119 5.829 1.00 0.00 C ATOM 588 OG SER A 124 9.413 7.798 6.937 1.00 0.00 O ATOM 0 H SER A 124 9.523 5.749 5.543 1.00 0.00 H new ATOM 0 HA SER A 124 8.491 7.793 3.710 1.00 0.00 H new ATOM 0 HB2 SER A 124 8.493 9.201 5.745 1.00 0.00 H new ATOM 0 HB3 SER A 124 7.587 7.722 5.990 1.00 0.00 H new ATOM 0 HG SER A 124 10.354 7.843 6.669 1.00 0.00 H new ATOM 594 N LEU A 125 10.669 8.752 3.053 1.00 0.00 N ATOM 595 CA LEU A 125 11.922 9.383 2.656 1.00 0.00 C ATOM 596 C LEU A 125 11.914 10.872 2.981 1.00 0.00 C ATOM 597 O LEU A 125 10.900 11.551 2.811 1.00 0.00 O ATOM 598 CB LEU A 125 12.170 9.178 1.161 1.00 0.00 C ATOM 599 CG LEU A 125 12.262 7.719 0.713 1.00 0.00 C ATOM 600 CD1 LEU A 125 12.532 7.636 -0.782 1.00 0.00 C ATOM 601 CD2 LEU A 125 13.346 6.991 1.493 1.00 0.00 C ATOM 0 H LEU A 125 9.934 8.792 2.347 1.00 0.00 H new ATOM 0 HA LEU A 125 12.727 8.913 3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 125 11.367 9.663 0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 125 13.096 9.684 0.889 1.00 0.00 H new ATOM 0 HG LEU A 125 11.307 7.235 0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 125 12.594 6.590 -1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 125 11.722 8.122 -1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 125 13.473 8.136 -1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 125 13.398 5.954 1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 125 14.307 7.476 1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 125 13.111 7.021 2.557 1.00 0.00 H new ATOM 613 N ARG A 126 13.051 11.376 3.448 1.00 0.00 N ATOM 614 CA ARG A 126 13.180 12.785 3.797 1.00 0.00 C ATOM 615 C ARG A 126 12.254 13.150 4.955 1.00 0.00 C ATOM 616 O ARG A 126 12.682 13.192 6.108 1.00 0.00 O ATOM 617 CB ARG A 126 12.881 13.663 2.580 1.00 0.00 C ATOM 618 CG ARG A 126 13.892 13.506 1.456 1.00 0.00 C ATOM 619 CD ARG A 126 13.535 14.372 0.259 1.00 0.00 C ATOM 620 NE ARG A 126 14.511 14.240 -0.820 1.00 0.00 N ATOM 621 CZ ARG A 126 14.442 14.915 -1.963 1.00 0.00 C ATOM 622 NH1 ARG A 126 13.444 15.763 -2.175 1.00 0.00 N ATOM 623 NH2 ARG A 126 15.369 14.743 -2.894 1.00 0.00 N ATOM 0 H ARG A 126 13.899 10.827 3.594 1.00 0.00 H new ATOM 0 HA ARG A 126 14.207 12.963 4.116 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.888 13.420 2.202 1.00 0.00 H new ATOM 0 HB3 ARG A 126 12.856 14.707 2.892 1.00 0.00 H new ATOM 0 HG2 ARG A 126 14.884 13.775 1.818 1.00 0.00 H new ATOM 0 HG3 ARG A 126 13.937 12.461 1.150 1.00 0.00 H new ATOM 0 HD2 ARG A 126 12.547 14.093 -0.109 1.00 0.00 H new ATOM 0 HD3 ARG A 126 13.477 15.415 0.570 1.00 0.00 H new ATOM 0 HE ARG A 126 15.289 13.594 -0.689 1.00 0.00 H new ATOM 0 HH11 ARG A 126 12.729 15.898 -1.460 1.00 0.00 H new ATOM 0 HH12 ARG A 126 13.392 16.280 -3.052 1.00 0.00 H new ATOM 0 HH21 ARG A 126 16.137 14.092 -2.734 1.00 0.00 H new ATOM 0 HH22 ARG A 126 15.314 15.262 -3.770 1.00 0.00 H new ATOM 637 N SER A 127 10.987 13.408 4.644 1.00 0.00 N ATOM 638 CA SER A 127 10.008 13.770 5.663 1.00 0.00 C ATOM 639 C SER A 127 8.593 13.767 5.093 1.00 0.00 C ATOM 640 O SER A 127 7.699 13.108 5.625 1.00 0.00 O ATOM 641 CB SER A 127 10.323 15.153 6.241 1.00 0.00 C ATOM 642 OG SER A 127 11.539 15.140 6.968 1.00 0.00 O ATOM 0 H SER A 127 10.615 13.373 3.695 1.00 0.00 H new ATOM 0 HA SER A 127 10.066 13.025 6.456 1.00 0.00 H new ATOM 0 HB2 SER A 127 10.387 15.882 5.433 1.00 0.00 H new ATOM 0 HB3 SER A 127 9.510 15.471 6.893 1.00 0.00 H new ATOM 0 HG SER A 127 11.880 14.223 7.019 1.00 0.00 H new ATOM 648 N ASN A 128 8.398 14.506 4.006 1.00 0.00 N ATOM 649 CA ASN A 128 7.092 14.597 3.367 1.00 0.00 C ATOM 650 C ASN A 128 6.920 13.522 2.294 1.00 0.00 C ATOM 651 O ASN A 128 5.800 13.233 1.873 1.00 0.00 O ATOM 652 CB ASN A 128 6.905 15.985 2.749 1.00 0.00 C ATOM 653 CG ASN A 128 5.496 16.206 2.236 1.00 0.00 C ATOM 654 OD1 ASN A 128 4.536 15.641 2.759 1.00 0.00 O ATOM 655 ND2 ASN A 128 5.366 17.034 1.205 1.00 0.00 N ATOM 0 H ASN A 128 9.129 15.051 3.549 1.00 0.00 H new ATOM 0 HA ASN A 128 6.333 14.435 4.132 1.00 0.00 H new ATOM 0 HB2 ASN A 128 7.141 16.746 3.493 1.00 0.00 H new ATOM 0 HB3 ASN A 128 7.611 16.112 1.929 1.00 0.00 H new ATOM 0 HD21 ASN A 128 4.442 17.223 0.816 1.00 0.00 H new ATOM 0 HD22 ASN A 128 6.190 17.481 0.803 1.00 0.00 H new ATOM 662 N LYS A 129 8.030 12.932 1.854 1.00 0.00 N ATOM 663 CA LYS A 129 7.983 11.896 0.829 1.00 0.00 C ATOM 664 C LYS A 129 7.702 10.528 1.442 1.00 0.00 C ATOM 665 O LYS A 129 8.620 9.811 1.839 1.00 0.00 O ATOM 666 CB LYS A 129 9.297 11.851 0.053 1.00 0.00 C ATOM 667 CG LYS A 129 9.669 13.176 -0.591 1.00 0.00 C ATOM 668 CD LYS A 129 8.568 13.677 -1.510 1.00 0.00 C ATOM 669 CE LYS A 129 8.948 14.994 -2.167 1.00 0.00 C ATOM 670 NZ LYS A 129 10.163 14.860 -3.016 1.00 0.00 N ATOM 0 H LYS A 129 8.967 13.153 2.190 1.00 0.00 H new ATOM 0 HA LYS A 129 7.171 12.143 0.145 1.00 0.00 H new ATOM 0 HB2 LYS A 129 10.097 11.547 0.728 1.00 0.00 H new ATOM 0 HB3 LYS A 129 9.226 11.087 -0.722 1.00 0.00 H new ATOM 0 HG2 LYS A 129 9.862 13.917 0.185 1.00 0.00 H new ATOM 0 HG3 LYS A 129 10.593 13.060 -1.158 1.00 0.00 H new ATOM 0 HD2 LYS A 129 8.366 12.931 -2.278 1.00 0.00 H new ATOM 0 HD3 LYS A 129 7.647 13.805 -0.941 1.00 0.00 H new ATOM 0 HE2 LYS A 129 8.117 15.349 -2.776 1.00 0.00 H new ATOM 0 HE3 LYS A 129 9.124 15.746 -1.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 10.255 15.698 -3.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 11.004 14.780 -2.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 10.081 14.009 -3.608 1.00 0.00 H new ATOM 684 N VAL A 130 6.425 10.176 1.513 1.00 0.00 N ATOM 685 CA VAL A 130 6.011 8.896 2.072 1.00 0.00 C ATOM 686 C VAL A 130 5.740 7.878 0.969 1.00 0.00 C ATOM 687 O VAL A 130 4.940 8.125 0.066 1.00 0.00 O ATOM 688 CB VAL A 130 4.746 9.046 2.936 1.00 0.00 C ATOM 689 CG1 VAL A 130 4.436 7.745 3.659 1.00 0.00 C ATOM 690 CG2 VAL A 130 4.912 10.186 3.927 1.00 0.00 C ATOM 0 H VAL A 130 5.655 10.762 1.189 1.00 0.00 H new ATOM 0 HA VAL A 130 6.831 8.542 2.697 1.00 0.00 H new ATOM 0 HB VAL A 130 3.906 9.280 2.282 1.00 0.00 H new ATOM 0 HG11 VAL A 130 3.539 7.870 4.265 1.00 0.00 H new ATOM 0 HG12 VAL A 130 4.273 6.953 2.928 1.00 0.00 H new ATOM 0 HG13 VAL A 130 5.274 7.478 4.303 1.00 0.00 H new ATOM 0 HG21 VAL A 130 4.009 10.278 4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 130 5.763 9.982 4.577 1.00 0.00 H new ATOM 0 HG23 VAL A 130 5.084 11.116 3.386 1.00 0.00 H new ATOM 700 N MET A 131 6.410 6.733 1.048 1.00 0.00 N ATOM 701 CA MET A 131 6.236 5.677 0.058 1.00 0.00 C ATOM 702 C MET A 131 6.213 4.308 0.728 1.00 0.00 C ATOM 703 O MET A 131 6.803 4.115 1.791 1.00 0.00 O ATOM 704 CB MET A 131 7.356 5.732 -0.983 1.00 0.00 C ATOM 705 CG MET A 131 8.750 5.631 -0.386 1.00 0.00 C ATOM 706 SD MET A 131 10.047 5.712 -1.637 1.00 0.00 S ATOM 707 CE MET A 131 9.699 7.303 -2.382 1.00 0.00 C ATOM 0 H MET A 131 7.078 6.513 1.787 1.00 0.00 H new ATOM 0 HA MET A 131 5.281 5.834 -0.443 1.00 0.00 H new ATOM 0 HB2 MET A 131 7.216 4.920 -1.697 1.00 0.00 H new ATOM 0 HB3 MET A 131 7.276 6.665 -1.541 1.00 0.00 H new ATOM 0 HG2 MET A 131 8.893 6.438 0.333 1.00 0.00 H new ATOM 0 HG3 MET A 131 8.839 4.694 0.164 1.00 0.00 H new ATOM 0 HE1 MET A 131 10.547 7.611 -2.994 1.00 0.00 H new ATOM 0 HE2 MET A 131 8.809 7.225 -3.007 1.00 0.00 H new ATOM 0 HE3 MET A 131 9.529 8.042 -1.599 1.00 0.00 H new ATOM 717 N TRP A 132 5.525 3.359 0.102 1.00 0.00 N ATOM 718 CA TRP A 132 5.420 2.011 0.643 1.00 0.00 C ATOM 719 C TRP A 132 5.903 0.968 -0.364 1.00 0.00 C ATOM 720 O TRP A 132 5.830 1.172 -1.576 1.00 0.00 O ATOM 721 CB TRP A 132 3.977 1.717 1.051 1.00 0.00 C ATOM 722 CG TRP A 132 3.606 2.292 2.384 1.00 0.00 C ATOM 723 CD1 TRP A 132 3.407 3.607 2.687 1.00 0.00 C ATOM 724 CD2 TRP A 132 3.384 1.562 3.595 1.00 0.00 C ATOM 725 NE1 TRP A 132 3.079 3.741 4.015 1.00 0.00 N ATOM 726 CE2 TRP A 132 3.059 2.498 4.594 1.00 0.00 C ATOM 727 CE3 TRP A 132 3.433 0.206 3.931 1.00 0.00 C ATOM 728 CZ2 TRP A 132 2.781 2.120 5.905 1.00 0.00 C ATOM 729 CZ3 TRP A 132 3.157 -0.167 5.232 1.00 0.00 C ATOM 730 CH2 TRP A 132 2.834 0.786 6.206 1.00 0.00 C ATOM 0 H TRP A 132 5.032 3.499 -0.780 1.00 0.00 H new ATOM 0 HA TRP A 132 6.061 1.953 1.523 1.00 0.00 H new ATOM 0 HB2 TRP A 132 3.304 2.116 0.292 1.00 0.00 H new ATOM 0 HB3 TRP A 132 3.827 0.638 1.075 1.00 0.00 H new ATOM 0 HD1 TRP A 132 3.494 4.424 1.986 1.00 0.00 H new ATOM 0 HE1 TRP A 132 2.883 4.621 4.492 1.00 0.00 H new ATOM 0 HE3 TRP A 132 3.682 -0.536 3.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 2.532 2.854 6.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 3.191 -1.212 5.503 1.00 0.00 H new ATOM 0 HH2 TRP A 132 2.623 0.462 7.214 1.00 0.00 H new ATOM 741 N VAL A 133 6.400 -0.150 0.157 1.00 0.00 N ATOM 742 CA VAL A 133 6.903 -1.239 -0.674 1.00 0.00 C ATOM 743 C VAL A 133 6.192 -2.547 -0.328 1.00 0.00 C ATOM 744 O VAL A 133 6.246 -3.008 0.814 1.00 0.00 O ATOM 745 CB VAL A 133 8.434 -1.402 -0.492 1.00 0.00 C ATOM 746 CG1 VAL A 133 8.945 -2.700 -1.111 1.00 0.00 C ATOM 747 CG2 VAL A 133 9.161 -0.209 -1.088 1.00 0.00 C ATOM 0 H VAL A 133 6.465 -0.326 1.160 1.00 0.00 H new ATOM 0 HA VAL A 133 6.700 -0.994 -1.717 1.00 0.00 H new ATOM 0 HB VAL A 133 8.637 -1.449 0.578 1.00 0.00 H new ATOM 0 HG11 VAL A 133 10.022 -2.775 -0.961 1.00 0.00 H new ATOM 0 HG12 VAL A 133 8.453 -3.548 -0.636 1.00 0.00 H new ATOM 0 HG13 VAL A 133 8.726 -2.705 -2.179 1.00 0.00 H new ATOM 0 HG21 VAL A 133 10.236 -0.334 -0.955 1.00 0.00 H new ATOM 0 HG22 VAL A 133 8.933 -0.138 -2.152 1.00 0.00 H new ATOM 0 HG23 VAL A 133 8.837 0.703 -0.586 1.00 0.00 H new ATOM 757 N CYS A 134 5.529 -3.143 -1.316 1.00 0.00 N ATOM 758 CA CYS A 134 4.813 -4.395 -1.096 1.00 0.00 C ATOM 759 C CYS A 134 5.787 -5.532 -0.804 1.00 0.00 C ATOM 760 O CYS A 134 6.962 -5.471 -1.164 1.00 0.00 O ATOM 761 CB CYS A 134 3.937 -4.751 -2.301 1.00 0.00 C ATOM 762 SG CYS A 134 4.857 -5.289 -3.780 1.00 0.00 S ATOM 0 H CYS A 134 5.473 -2.782 -2.269 1.00 0.00 H new ATOM 0 HA CYS A 134 4.166 -4.256 -0.230 1.00 0.00 H new ATOM 0 HB2 CYS A 134 3.248 -5.544 -2.010 1.00 0.00 H new ATOM 0 HB3 CYS A 134 3.332 -3.883 -2.562 1.00 0.00 H new ATOM 767 N ASN A 135 5.279 -6.567 -0.146 1.00 0.00 N ATOM 768 CA ASN A 135 6.084 -7.729 0.222 1.00 0.00 C ATOM 769 C ASN A 135 6.799 -8.344 -0.984 1.00 0.00 C ATOM 770 O ASN A 135 7.777 -9.075 -0.823 1.00 0.00 O ATOM 771 CB ASN A 135 5.203 -8.783 0.893 1.00 0.00 C ATOM 772 CG ASN A 135 4.573 -8.277 2.176 1.00 0.00 C ATOM 773 OD1 ASN A 135 4.356 -7.077 2.342 1.00 0.00 O ATOM 774 ND2 ASN A 135 4.273 -9.191 3.090 1.00 0.00 N ATOM 0 H ASN A 135 4.304 -6.626 0.147 1.00 0.00 H new ATOM 0 HA ASN A 135 6.849 -7.386 0.918 1.00 0.00 H new ATOM 0 HB2 ASN A 135 4.418 -9.090 0.202 1.00 0.00 H new ATOM 0 HB3 ASN A 135 5.801 -9.668 1.109 1.00 0.00 H new ATOM 0 HD21 ASN A 135 3.845 -8.909 3.972 1.00 0.00 H new ATOM 0 HD22 ASN A 135 4.470 -10.176 2.911 1.00 0.00 H new ATOM 781 N LEU A 136 6.322 -8.039 -2.187 1.00 0.00 N ATOM 782 CA LEU A 136 6.920 -8.586 -3.402 1.00 0.00 C ATOM 783 C LEU A 136 8.146 -7.782 -3.817 1.00 0.00 C ATOM 784 O LEU A 136 9.134 -8.341 -4.295 1.00 0.00 O ATOM 785 CB LEU A 136 5.897 -8.585 -4.537 1.00 0.00 C ATOM 786 CG LEU A 136 4.486 -8.996 -4.131 1.00 0.00 C ATOM 787 CD1 LEU A 136 3.532 -8.870 -5.309 1.00 0.00 C ATOM 788 CD2 LEU A 136 4.486 -10.417 -3.590 1.00 0.00 C ATOM 0 H LEU A 136 5.528 -7.420 -2.347 1.00 0.00 H new ATOM 0 HA LEU A 136 7.231 -9.610 -3.194 1.00 0.00 H new ATOM 0 HB2 LEU A 136 5.858 -7.586 -4.970 1.00 0.00 H new ATOM 0 HB3 LEU A 136 6.245 -9.259 -5.320 1.00 0.00 H new ATOM 0 HG LEU A 136 4.143 -8.326 -3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 136 2.530 -9.168 -4.999 1.00 0.00 H new ATOM 0 HD12 LEU A 136 3.513 -7.836 -5.653 1.00 0.00 H new ATOM 0 HD13 LEU A 136 3.868 -9.516 -6.120 1.00 0.00 H new ATOM 0 HD21 LEU A 136 3.472 -10.697 -3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 136 4.848 -11.099 -4.359 1.00 0.00 H new ATOM 0 HD23 LEU A 136 5.138 -10.474 -2.718 1.00 0.00 H new ATOM 800 N CYS A 137 8.078 -6.472 -3.632 1.00 0.00 N ATOM 801 CA CYS A 137 9.188 -5.596 -3.982 1.00 0.00 C ATOM 802 C CYS A 137 10.172 -5.503 -2.826 1.00 0.00 C ATOM 803 O CYS A 137 11.378 -5.369 -3.032 1.00 0.00 O ATOM 804 CB CYS A 137 8.678 -4.201 -4.346 1.00 0.00 C ATOM 805 SG CYS A 137 7.675 -4.149 -5.865 1.00 0.00 S ATOM 0 H CYS A 137 7.267 -5.992 -3.242 1.00 0.00 H new ATOM 0 HA CYS A 137 9.698 -6.019 -4.848 1.00 0.00 H new ATOM 0 HB2 CYS A 137 8.084 -3.816 -3.518 1.00 0.00 H new ATOM 0 HB3 CYS A 137 9.531 -3.533 -4.464 1.00 0.00 H new ATOM 810 N ARG A 138 9.648 -5.580 -1.607 1.00 0.00 N ATOM 811 CA ARG A 138 10.481 -5.508 -0.417 1.00 0.00 C ATOM 812 C ARG A 138 11.461 -6.676 -0.377 1.00 0.00 C ATOM 813 O ARG A 138 12.625 -6.512 -0.010 1.00 0.00 O ATOM 814 CB ARG A 138 9.612 -5.514 0.841 1.00 0.00 C ATOM 815 CG ARG A 138 10.397 -5.300 2.124 1.00 0.00 C ATOM 816 CD ARG A 138 9.501 -5.399 3.347 1.00 0.00 C ATOM 817 NE ARG A 138 8.942 -6.739 3.506 1.00 0.00 N ATOM 818 CZ ARG A 138 8.179 -7.101 4.533 1.00 0.00 C ATOM 819 NH1 ARG A 138 7.889 -6.228 5.486 1.00 0.00 N ATOM 820 NH2 ARG A 138 7.708 -8.339 4.606 1.00 0.00 N ATOM 0 H ARG A 138 8.652 -5.692 -1.420 1.00 0.00 H new ATOM 0 HA ARG A 138 11.047 -4.577 -0.452 1.00 0.00 H new ATOM 0 HB2 ARG A 138 8.856 -4.734 0.754 1.00 0.00 H new ATOM 0 HB3 ARG A 138 9.083 -6.465 0.903 1.00 0.00 H new ATOM 0 HG2 ARG A 138 11.193 -6.042 2.193 1.00 0.00 H new ATOM 0 HG3 ARG A 138 10.875 -4.321 2.100 1.00 0.00 H new ATOM 0 HD2 ARG A 138 10.072 -5.136 4.237 1.00 0.00 H new ATOM 0 HD3 ARG A 138 8.690 -4.675 3.263 1.00 0.00 H new ATOM 0 HE ARG A 138 9.148 -7.435 2.790 1.00 0.00 H new ATOM 0 HH11 ARG A 138 8.251 -5.276 5.433 1.00 0.00 H new ATOM 0 HH12 ARG A 138 7.303 -6.508 6.273 1.00 0.00 H new ATOM 0 HH21 ARG A 138 7.931 -9.014 3.874 1.00 0.00 H new ATOM 0 HH22 ARG A 138 7.123 -8.616 5.394 1.00 0.00 H new ATOM 834 N LYS A 139 10.980 -7.859 -0.755 1.00 0.00 N ATOM 835 CA LYS A 139 11.812 -9.057 -0.768 1.00 0.00 C ATOM 836 C LYS A 139 12.585 -9.170 -2.078 1.00 0.00 C ATOM 837 O LYS A 139 13.772 -9.497 -2.085 1.00 0.00 O ATOM 838 CB LYS A 139 10.950 -10.305 -0.563 1.00 0.00 C ATOM 839 CG LYS A 139 10.292 -10.373 0.807 1.00 0.00 C ATOM 840 CD LYS A 139 9.397 -11.595 0.936 1.00 0.00 C ATOM 841 CE LYS A 139 10.160 -12.880 0.649 1.00 0.00 C ATOM 842 NZ LYS A 139 11.329 -13.046 1.556 1.00 0.00 N ATOM 0 H LYS A 139 10.018 -8.012 -1.056 1.00 0.00 H new ATOM 0 HA LYS A 139 12.528 -8.979 0.050 1.00 0.00 H new ATOM 0 HB2 LYS A 139 10.176 -10.332 -1.330 1.00 0.00 H new ATOM 0 HB3 LYS A 139 11.569 -11.191 -0.704 1.00 0.00 H new ATOM 0 HG2 LYS A 139 11.060 -10.400 1.580 1.00 0.00 H new ATOM 0 HG3 LYS A 139 9.704 -9.471 0.974 1.00 0.00 H new ATOM 0 HD2 LYS A 139 8.979 -11.636 1.942 1.00 0.00 H new ATOM 0 HD3 LYS A 139 8.558 -11.507 0.246 1.00 0.00 H new ATOM 0 HE2 LYS A 139 9.490 -13.733 0.760 1.00 0.00 H new ATOM 0 HE3 LYS A 139 10.501 -12.876 -0.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 11.741 -13.991 1.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 12.044 -12.323 1.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 11.020 -12.940 2.543 1.00 0.00 H new ATOM 856 N GLN A 140 11.903 -8.896 -3.186 1.00 0.00 N ATOM 857 CA GLN A 140 12.522 -8.969 -4.504 1.00 0.00 C ATOM 858 C GLN A 140 13.603 -7.903 -4.661 1.00 0.00 C ATOM 859 O GLN A 140 14.529 -8.057 -5.456 1.00 0.00 O ATOM 860 CB GLN A 140 11.464 -8.806 -5.595 1.00 0.00 C ATOM 861 CG GLN A 140 12.031 -8.846 -7.005 1.00 0.00 C ATOM 862 CD GLN A 140 10.956 -8.732 -8.068 1.00 0.00 C ATOM 863 OE1 GLN A 140 9.821 -9.165 -7.870 1.00 0.00 O ATOM 864 NE2 GLN A 140 11.310 -8.145 -9.205 1.00 0.00 N ATOM 0 H GLN A 140 10.921 -8.621 -3.197 1.00 0.00 H new ATOM 0 HA GLN A 140 12.990 -9.948 -4.604 1.00 0.00 H new ATOM 0 HB2 GLN A 140 10.720 -9.596 -5.489 1.00 0.00 H new ATOM 0 HB3 GLN A 140 10.946 -7.859 -5.448 1.00 0.00 H new ATOM 0 HG2 GLN A 140 12.747 -8.033 -7.128 1.00 0.00 H new ATOM 0 HG3 GLN A 140 12.579 -9.777 -7.146 1.00 0.00 H new ATOM 0 HE21 GLN A 140 12.262 -7.801 -9.326 1.00 0.00 H new ATOM 0 HE22 GLN A 140 10.630 -8.038 -9.957 1.00 0.00 H new ATOM 873 N GLN A 141 13.477 -6.822 -3.898 1.00 0.00 N ATOM 874 CA GLN A 141 14.448 -5.732 -3.955 1.00 0.00 C ATOM 875 C GLN A 141 15.250 -5.636 -2.654 1.00 0.00 C ATOM 876 O GLN A 141 15.967 -4.660 -2.430 1.00 0.00 O ATOM 877 CB GLN A 141 13.734 -4.406 -4.233 1.00 0.00 C ATOM 878 CG GLN A 141 14.675 -3.253 -4.549 1.00 0.00 C ATOM 879 CD GLN A 141 13.937 -1.996 -4.967 1.00 0.00 C ATOM 880 OE1 GLN A 141 13.587 -1.162 -4.133 1.00 0.00 O ATOM 881 NE2 GLN A 141 13.697 -1.855 -6.266 1.00 0.00 N ATOM 0 H GLN A 141 12.716 -6.676 -3.235 1.00 0.00 H new ATOM 0 HA GLN A 141 15.145 -5.941 -4.767 1.00 0.00 H new ATOM 0 HB2 GLN A 141 13.049 -4.542 -5.069 1.00 0.00 H new ATOM 0 HB3 GLN A 141 13.130 -4.141 -3.365 1.00 0.00 H new ATOM 0 HG2 GLN A 141 15.286 -3.037 -3.673 1.00 0.00 H new ATOM 0 HG3 GLN A 141 15.356 -3.552 -5.346 1.00 0.00 H new ATOM 0 HE21 GLN A 141 14.006 -2.572 -6.922 1.00 0.00 H new ATOM 0 HE22 GLN A 141 13.204 -1.030 -6.607 1.00 0.00 H new ATOM 890 N GLU A 142 15.134 -6.651 -1.797 1.00 0.00 N ATOM 891 CA GLU A 142 15.855 -6.666 -0.527 1.00 0.00 C ATOM 892 C GLU A 142 15.717 -5.332 0.203 1.00 0.00 C ATOM 893 O GLU A 142 16.572 -4.447 -0.018 1.00 0.00 O ATOM 894 CB GLU A 142 17.332 -6.984 -0.761 1.00 0.00 C ATOM 895 CG GLU A 142 17.567 -8.344 -1.397 1.00 0.00 C ATOM 896 CD GLU A 142 19.037 -8.643 -1.610 1.00 0.00 C ATOM 897 OE1 GLU A 142 19.709 -9.045 -0.638 1.00 0.00 O ATOM 898 OE2 GLU A 142 19.518 -8.474 -2.751 1.00 0.00 O ATOM 899 OXT GLU A 142 14.757 -5.182 0.986 1.00 0.00 O ATOM 0 H GLU A 142 14.549 -7.471 -1.960 1.00 0.00 H new ATOM 0 HA GLU A 142 15.416 -7.443 0.099 1.00 0.00 H new ATOM 0 HB2 GLU A 142 17.764 -6.214 -1.400 1.00 0.00 H new ATOM 0 HB3 GLU A 142 17.860 -6.941 0.192 1.00 0.00 H new ATOM 0 HG2 GLU A 142 17.131 -9.117 -0.764 1.00 0.00 H new ATOM 0 HG3 GLU A 142 17.049 -8.387 -2.355 1.00 0.00 H new TER 906 GLU A 142 HETATM 907 ZN ZN A 292 -3.455 -6.912 2.323 1.00 0.00 ZN HETATM 908 ZN ZN A 308 5.293 -3.351 -5.419 1.00 0.00 ZN