USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=20 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 127 SER OG : rot 87:sc= 1.13 USER MOD Set 1.2: A 128 ASN : amide:sc= 0.46 K(o=1.6,f=-3.6!) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 GLN :FLIP amide:sc=-0.00706 F(o=-0.86,f=-0.0071) USER MOD Single : A 86 LYS NZ :NH3+ 169:sc=-0.00609 (180deg=-0.155) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 CYS SG : rot -171:sc= 0.122 USER MOD Single : A 96 HIS :FLIP no HD1:sc= -3.44! C(o=-4.5!,f=-3.4!) USER MOD Single : A 97 LYS NZ :NH3+ -169:sc= -0.0203 (180deg=-0.196) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 174:sc= -1.97! (180deg=-2.03!) USER MOD Single : A 104 CYS SG : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HE2:sc= -2.79 K(o=-2.8,f=-6.3!) USER MOD Single : A 107 ASN :FLIP amide:sc= -0.269 F(o=-2.6,f=-0.27) USER MOD Single : A 108 CYS SG : rot 162:sc= 0.0515 USER MOD Single : A 109 SER OG : rot 128:sc= 0.231 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 GLN :FLIP amide:sc=-0.00408 F(o=-0.81,f=-0.0041) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 32:sc= 0.126 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 MET CE :methyl -168:sc= 0 (180deg=-0.0477) USER MOD Single : A 135 ASN : amide:sc= -1.2 K(o=-1.2,f=-2.3!) USER MOD Single : A 139 LYS NZ :NH3+ -171:sc= -0.0161 (180deg=-0.17) USER MOD Single : A 140 GLN : amide:sc= -0.153 K(o=-0.15,f=-0.85) USER MOD Single : A 141 GLN : amide:sc= -0.609 X(o=-0.61,f=-1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 83 -26.787 -2.958 -8.136 1.00 0.00 N ATOM 2 CA GLN A 83 -25.308 -2.850 -8.217 1.00 0.00 C ATOM 3 C GLN A 83 -24.885 -1.442 -8.621 1.00 0.00 C ATOM 4 O GLN A 83 -24.049 -1.263 -9.508 1.00 0.00 O ATOM 5 CB GLN A 83 -24.760 -3.866 -9.223 1.00 0.00 C ATOM 6 CG GLN A 83 -25.324 -3.699 -10.625 1.00 0.00 C ATOM 7 CD GLN A 83 -24.704 -4.662 -11.620 1.00 0.00 C ATOM 8 OE1 GLN A 83 -25.202 -5.768 -11.824 1.00 0.00 O ATOM 9 NE2 GLN A 83 -23.607 -4.244 -12.240 1.00 0.00 N ATOM 0 HA GLN A 83 -24.898 -3.063 -7.230 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -23.675 -3.775 -9.264 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -24.983 -4.872 -8.868 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -26.403 -3.853 -10.600 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -25.156 -2.676 -10.961 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -23.229 -3.318 -12.039 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -23.142 -4.849 -12.917 1.00 0.00 H new ATOM 18 N GLU A 84 -25.466 -0.443 -7.965 1.00 0.00 N ATOM 19 CA GLU A 84 -25.148 0.950 -8.256 1.00 0.00 C ATOM 20 C GLU A 84 -24.872 1.726 -6.971 1.00 0.00 C ATOM 21 O GLU A 84 -25.761 1.904 -6.138 1.00 0.00 O ATOM 22 CB GLU A 84 -26.293 1.608 -9.027 1.00 0.00 C ATOM 23 CG GLU A 84 -26.562 0.968 -10.379 1.00 0.00 C ATOM 24 CD GLU A 84 -27.694 1.645 -11.129 1.00 0.00 C ATOM 25 OE1 GLU A 84 -28.859 1.240 -10.935 1.00 0.00 O ATOM 26 OE2 GLU A 84 -27.414 2.577 -11.911 1.00 0.00 O ATOM 0 H GLU A 84 -26.160 -0.572 -7.228 1.00 0.00 H new ATOM 0 HA GLU A 84 -24.248 0.969 -8.871 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -27.200 1.560 -8.425 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -26.062 2.663 -9.173 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -25.655 1.008 -10.983 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -26.804 -0.085 -10.237 1.00 0.00 H new ATOM 33 N GLN A 85 -23.633 2.185 -6.817 1.00 0.00 N ATOM 34 CA GLN A 85 -23.237 2.941 -5.634 1.00 0.00 C ATOM 35 C GLN A 85 -22.379 4.144 -6.020 1.00 0.00 C ATOM 36 O GLN A 85 -22.014 4.308 -7.183 1.00 0.00 O ATOM 37 CB GLN A 85 -22.469 2.044 -4.661 1.00 0.00 C ATOM 38 CG GLN A 85 -21.235 1.400 -5.272 1.00 0.00 C ATOM 39 CD GLN A 85 -20.514 0.486 -4.301 1.00 0.00 C ATOM 40 OE1 GLN A 85 -19.578 1.048 -3.546 1.00 0.00 O flip ATOM 41 NE2 GLN A 85 -20.796 -0.710 -4.230 1.00 0.00 N flip ATOM 0 H GLN A 85 -22.886 2.046 -7.497 1.00 0.00 H new ATOM 0 HA GLN A 85 -24.142 3.303 -5.145 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -22.170 2.634 -3.795 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -23.135 1.261 -4.298 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -21.526 0.830 -6.154 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -20.551 2.180 -5.608 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -21.523 -1.099 -4.830 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -20.303 -1.312 -3.571 1.00 0.00 H new ATOM 50 N LYS A 86 -22.059 4.979 -5.037 1.00 0.00 N ATOM 51 CA LYS A 86 -21.245 6.166 -5.279 1.00 0.00 C ATOM 52 C LYS A 86 -20.149 6.305 -4.226 1.00 0.00 C ATOM 53 O LYS A 86 -19.768 7.418 -3.861 1.00 0.00 O ATOM 54 CB LYS A 86 -22.121 7.420 -5.281 1.00 0.00 C ATOM 55 CG LYS A 86 -23.175 7.429 -6.376 1.00 0.00 C ATOM 56 CD LYS A 86 -24.009 8.699 -6.332 1.00 0.00 C ATOM 57 CE LYS A 86 -23.152 9.937 -6.535 1.00 0.00 C ATOM 58 NZ LYS A 86 -22.476 9.937 -7.862 1.00 0.00 N ATOM 0 H LYS A 86 -22.350 4.857 -4.067 1.00 0.00 H new ATOM 0 HA LYS A 86 -20.774 6.054 -6.256 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -22.615 7.509 -4.313 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -21.484 8.297 -5.395 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -22.692 7.343 -7.349 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -23.825 6.561 -6.265 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -24.778 8.657 -7.104 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -24.523 8.765 -5.373 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -23.774 10.827 -6.445 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -22.402 9.992 -5.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -22.056 10.872 -8.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -21.728 9.214 -7.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -23.171 9.724 -8.606 1.00 0.00 H new ATOM 72 N GLY A 87 -19.646 5.176 -3.742 1.00 0.00 N ATOM 73 CA GLY A 87 -18.599 5.206 -2.739 1.00 0.00 C ATOM 74 C GLY A 87 -18.249 3.828 -2.215 1.00 0.00 C ATOM 75 O GLY A 87 -18.911 3.313 -1.314 1.00 0.00 O ATOM 0 H GLY A 87 -19.944 4.242 -4.025 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -17.707 5.665 -3.165 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -18.916 5.836 -1.908 1.00 0.00 H new ATOM 79 N ASP A 88 -17.207 3.228 -2.782 1.00 0.00 N ATOM 80 CA ASP A 88 -16.769 1.902 -2.361 1.00 0.00 C ATOM 81 C ASP A 88 -15.692 2.009 -1.287 1.00 0.00 C ATOM 82 O ASP A 88 -14.863 2.919 -1.313 1.00 0.00 O ATOM 83 CB ASP A 88 -16.237 1.110 -3.558 1.00 0.00 C ATOM 84 CG ASP A 88 -15.888 -0.319 -3.192 1.00 0.00 C ATOM 85 OD1 ASP A 88 -16.777 -1.192 -3.290 1.00 0.00 O ATOM 86 OD2 ASP A 88 -14.726 -0.567 -2.808 1.00 0.00 O ATOM 0 H ASP A 88 -16.651 3.638 -3.533 1.00 0.00 H new ATOM 0 HA ASP A 88 -17.628 1.376 -1.944 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -16.985 1.107 -4.351 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.352 1.607 -3.956 1.00 0.00 H new ATOM 91 N ALA A 89 -15.709 1.073 -0.344 1.00 0.00 N ATOM 92 CA ALA A 89 -14.737 1.062 0.739 1.00 0.00 C ATOM 93 C ALA A 89 -13.349 0.692 0.229 1.00 0.00 C ATOM 94 O ALA A 89 -13.206 0.146 -0.865 1.00 0.00 O ATOM 95 CB ALA A 89 -15.175 0.095 1.828 1.00 0.00 C ATOM 0 H ALA A 89 -16.387 0.312 -0.309 1.00 0.00 H new ATOM 0 HA ALA A 89 -14.685 2.067 1.158 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -14.440 0.096 2.633 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -16.143 0.404 2.221 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -15.256 -0.909 1.412 1.00 0.00 H new ATOM 101 N PRO A 90 -12.305 0.984 1.022 1.00 0.00 N ATOM 102 CA PRO A 90 -10.922 0.693 0.665 1.00 0.00 C ATOM 103 C PRO A 90 -10.545 -0.740 1.008 1.00 0.00 C ATOM 104 O PRO A 90 -10.776 -1.191 2.128 1.00 0.00 O ATOM 105 CB PRO A 90 -10.114 1.668 1.528 1.00 0.00 C ATOM 106 CG PRO A 90 -11.099 2.380 2.409 1.00 0.00 C ATOM 107 CD PRO A 90 -12.381 1.601 2.346 1.00 0.00 C ATOM 0 HA PRO A 90 -10.742 0.803 -0.404 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -9.375 1.135 2.126 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.569 2.377 0.905 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.731 2.436 3.433 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -11.252 3.404 2.069 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -12.444 0.856 3.139 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -13.254 2.246 2.445 1.00 0.00 H new ATOM 115 N THR A 91 -9.939 -1.446 0.061 1.00 0.00 N ATOM 116 CA THR A 91 -9.568 -2.836 0.295 1.00 0.00 C ATOM 117 C THR A 91 -8.167 -3.167 -0.199 1.00 0.00 C ATOM 118 O THR A 91 -7.680 -2.606 -1.182 1.00 0.00 O ATOM 119 CB THR A 91 -10.567 -3.803 -0.363 1.00 0.00 C ATOM 120 OG1 THR A 91 -10.934 -3.325 -1.662 1.00 0.00 O ATOM 121 CG2 THR A 91 -11.806 -3.958 0.503 1.00 0.00 C ATOM 0 H THR A 91 -9.697 -1.086 -0.862 1.00 0.00 H new ATOM 0 HA THR A 91 -9.588 -2.963 1.377 1.00 0.00 H new ATOM 0 HB THR A 91 -10.089 -4.777 -0.466 1.00 0.00 H new ATOM 0 HG1 THR A 91 -11.569 -3.949 -2.073 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.502 -4.645 0.022 1.00 0.00 H new ATOM 0 HG22 THR A 91 -11.521 -4.353 1.478 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.285 -2.987 0.630 1.00 0.00 H new ATOM 129 N CYS A 92 -7.535 -4.092 0.510 1.00 0.00 N ATOM 130 CA CYS A 92 -6.192 -4.553 0.192 1.00 0.00 C ATOM 131 C CYS A 92 -6.184 -5.352 -1.114 1.00 0.00 C ATOM 132 O CYS A 92 -7.063 -6.183 -1.344 1.00 0.00 O ATOM 133 CB CYS A 92 -5.692 -5.417 1.349 1.00 0.00 C ATOM 134 SG CYS A 92 -4.024 -6.070 1.155 1.00 0.00 S ATOM 0 H CYS A 92 -7.943 -4.546 1.327 1.00 0.00 H new ATOM 0 HA CYS A 92 -5.534 -3.695 0.055 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -5.729 -4.827 2.265 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.379 -6.253 1.480 1.00 0.00 H new ATOM 0 HG CYS A 92 -3.783 -6.932 2.098 1.00 0.00 H new ATOM 139 N GLY A 93 -5.183 -5.105 -1.959 1.00 0.00 N ATOM 140 CA GLY A 93 -5.090 -5.806 -3.231 1.00 0.00 C ATOM 141 C GLY A 93 -4.425 -7.171 -3.120 1.00 0.00 C ATOM 142 O GLY A 93 -4.068 -7.775 -4.131 1.00 0.00 O ATOM 0 H GLY A 93 -4.436 -4.433 -1.785 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.091 -5.930 -3.643 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.529 -5.192 -3.936 1.00 0.00 H new ATOM 146 N ILE A 94 -4.261 -7.655 -1.893 1.00 0.00 N ATOM 147 CA ILE A 94 -3.641 -8.949 -1.649 1.00 0.00 C ATOM 148 C ILE A 94 -4.602 -9.874 -0.906 1.00 0.00 C ATOM 149 O ILE A 94 -5.098 -10.849 -1.469 1.00 0.00 O ATOM 150 CB ILE A 94 -2.339 -8.794 -0.835 1.00 0.00 C ATOM 151 CG1 ILE A 94 -1.324 -7.972 -1.620 1.00 0.00 C ATOM 152 CG2 ILE A 94 -1.748 -10.151 -0.480 1.00 0.00 C ATOM 153 CD1 ILE A 94 -1.546 -6.480 -1.527 1.00 0.00 C ATOM 0 H ILE A 94 -4.552 -7.165 -1.047 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.399 -9.388 -2.617 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.581 -8.275 0.093 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.323 -8.204 -1.257 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.360 -8.271 -2.668 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.832 -10.010 0.093 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.465 -10.716 0.116 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.523 -10.700 -1.394 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.785 -5.962 -2.111 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.533 -6.234 -1.918 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.480 -6.167 -0.485 1.00 0.00 H new ATOM 165 N CYS A 95 -4.856 -9.563 0.362 1.00 0.00 N ATOM 166 CA CYS A 95 -5.765 -10.365 1.173 1.00 0.00 C ATOM 167 C CYS A 95 -7.211 -9.870 1.057 1.00 0.00 C ATOM 168 O CYS A 95 -8.138 -10.523 1.536 1.00 0.00 O ATOM 169 CB CYS A 95 -5.320 -10.378 2.641 1.00 0.00 C ATOM 170 SG CYS A 95 -4.876 -8.744 3.319 1.00 0.00 S ATOM 0 H CYS A 95 -4.447 -8.765 0.848 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.730 -11.385 0.789 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -6.122 -10.801 3.246 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.462 -11.043 2.740 1.00 0.00 H new ATOM 175 N HIS A 96 -7.396 -8.709 0.419 1.00 0.00 N ATOM 176 CA HIS A 96 -8.725 -8.132 0.229 1.00 0.00 C ATOM 177 C HIS A 96 -9.551 -8.192 1.509 1.00 0.00 C ATOM 178 O HIS A 96 -10.773 -8.338 1.463 1.00 0.00 O ATOM 179 CB HIS A 96 -9.459 -8.849 -0.906 1.00 0.00 C ATOM 180 CG HIS A 96 -9.641 -10.317 -0.673 1.00 0.00 C ATOM 181 ND1 HIS A 96 -8.825 -11.366 -0.939 1.00 0.00 N flip ATOM 182 CD2 HIS A 96 -10.779 -10.855 -0.109 1.00 0.00 C flip ATOM 183 CE1 HIS A 96 -9.480 -12.503 -0.535 1.00 0.00 C flip ATOM 184 NE2 HIS A 96 -10.655 -12.169 -0.038 1.00 0.00 N flip ATOM 0 H HIS A 96 -6.638 -8.152 0.026 1.00 0.00 H new ATOM 0 HA HIS A 96 -8.595 -7.083 -0.036 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -10.437 -8.388 -1.043 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -8.906 -8.703 -1.834 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -11.638 -10.290 0.223 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -9.095 -13.509 -0.612 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -11.350 -12.815 0.337 1.00 0.00 H new ATOM 193 N LYS A 97 -8.881 -8.069 2.649 1.00 0.00 N ATOM 194 CA LYS A 97 -9.556 -8.108 3.942 1.00 0.00 C ATOM 195 C LYS A 97 -9.388 -6.785 4.680 1.00 0.00 C ATOM 196 O LYS A 97 -10.368 -6.126 5.028 1.00 0.00 O ATOM 197 CB LYS A 97 -9.001 -9.253 4.792 1.00 0.00 C ATOM 198 CG LYS A 97 -9.589 -9.310 6.193 1.00 0.00 C ATOM 199 CD LYS A 97 -8.985 -10.445 7.005 1.00 0.00 C ATOM 200 CE LYS A 97 -9.230 -11.793 6.346 1.00 0.00 C ATOM 201 NZ LYS A 97 -10.682 -12.075 6.180 1.00 0.00 N ATOM 0 H LYS A 97 -7.871 -7.941 2.705 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.619 -8.274 3.768 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.197 -10.198 4.286 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.918 -9.149 4.865 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.412 -8.363 6.702 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -10.669 -9.441 6.130 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.913 -10.283 7.117 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.414 -10.445 8.007 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -8.742 -11.814 5.371 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.774 -12.579 6.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -10.813 -13.069 5.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.175 -11.898 7.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.074 -11.456 5.442 1.00 0.00 H new ATOM 215 N THR A 98 -8.138 -6.404 4.913 1.00 0.00 N ATOM 216 CA THR A 98 -7.831 -5.163 5.609 1.00 0.00 C ATOM 217 C THR A 98 -8.323 -3.951 4.823 1.00 0.00 C ATOM 218 O THR A 98 -7.924 -3.734 3.679 1.00 0.00 O ATOM 219 CB THR A 98 -6.314 -5.035 5.860 1.00 0.00 C ATOM 220 OG1 THR A 98 -5.868 -6.097 6.711 1.00 0.00 O ATOM 221 CG2 THR A 98 -5.969 -3.695 6.494 1.00 0.00 C ATOM 0 H THR A 98 -7.318 -6.940 4.628 1.00 0.00 H new ATOM 0 HA THR A 98 -8.350 -5.191 6.567 1.00 0.00 H new ATOM 0 HB THR A 98 -5.808 -5.098 4.896 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.904 -6.010 6.865 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.893 -3.636 6.658 1.00 0.00 H new ATOM 0 HG22 THR A 98 -6.280 -2.888 5.831 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.487 -3.600 7.448 1.00 0.00 H new ATOM 229 N LYS A 99 -9.191 -3.163 5.448 1.00 0.00 N ATOM 230 CA LYS A 99 -9.731 -1.967 4.822 1.00 0.00 C ATOM 231 C LYS A 99 -8.876 -0.757 5.182 1.00 0.00 C ATOM 232 O LYS A 99 -8.686 -0.449 6.358 1.00 0.00 O ATOM 233 CB LYS A 99 -11.173 -1.746 5.275 1.00 0.00 C ATOM 234 CG LYS A 99 -12.100 -2.902 4.933 1.00 0.00 C ATOM 235 CD LYS A 99 -13.313 -2.933 5.850 1.00 0.00 C ATOM 236 CE LYS A 99 -14.037 -1.596 5.860 1.00 0.00 C ATOM 237 NZ LYS A 99 -14.518 -1.213 4.504 1.00 0.00 N ATOM 0 H LYS A 99 -9.536 -3.334 6.393 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.718 -2.097 3.740 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.186 -1.587 6.353 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.555 -0.835 4.813 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.428 -2.813 3.897 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.556 -3.843 5.015 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.997 -3.716 5.524 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -12.999 -3.186 6.863 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -14.884 -1.647 6.544 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -13.367 -0.824 6.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -15.092 -0.349 4.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.702 -1.040 3.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -15.096 -1.983 4.110 1.00 0.00 H new ATOM 251 N PHE A 100 -8.366 -0.073 4.164 1.00 0.00 N ATOM 252 CA PHE A 100 -7.514 1.094 4.386 1.00 0.00 C ATOM 253 C PHE A 100 -8.176 2.086 5.334 1.00 0.00 C ATOM 254 O PHE A 100 -9.328 1.911 5.731 1.00 0.00 O ATOM 255 CB PHE A 100 -7.180 1.792 3.065 1.00 0.00 C ATOM 256 CG PHE A 100 -6.661 0.865 2.002 1.00 0.00 C ATOM 257 CD1 PHE A 100 -5.734 -0.116 2.314 1.00 0.00 C ATOM 258 CD2 PHE A 100 -7.090 0.984 0.689 1.00 0.00 C ATOM 259 CE1 PHE A 100 -5.243 -0.962 1.337 1.00 0.00 C ATOM 260 CE2 PHE A 100 -6.605 0.140 -0.292 1.00 0.00 C ATOM 261 CZ PHE A 100 -5.680 -0.833 0.031 1.00 0.00 C ATOM 0 H PHE A 100 -8.525 -0.302 3.183 1.00 0.00 H new ATOM 0 HA PHE A 100 -6.590 0.737 4.840 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -8.074 2.292 2.693 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.437 2.567 3.252 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.391 -0.221 3.333 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.811 1.745 0.430 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.520 -1.722 1.593 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -6.949 0.241 -1.311 1.00 0.00 H new ATOM 0 HZ PHE A 100 -5.298 -1.492 -0.735 1.00 0.00 H new ATOM 271 N ALA A 101 -7.437 3.134 5.689 1.00 0.00 N ATOM 272 CA ALA A 101 -7.942 4.160 6.595 1.00 0.00 C ATOM 273 C ALA A 101 -9.331 4.630 6.184 1.00 0.00 C ATOM 274 O ALA A 101 -10.326 4.298 6.828 1.00 0.00 O ATOM 275 CB ALA A 101 -6.981 5.338 6.645 1.00 0.00 C ATOM 0 H ALA A 101 -6.484 3.294 5.362 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.018 3.720 7.589 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.370 6.096 7.325 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.007 4.999 6.999 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.876 5.764 5.647 1.00 0.00 H new ATOM 281 N ASP A 102 -9.392 5.406 5.110 1.00 0.00 N ATOM 282 CA ASP A 102 -10.662 5.928 4.617 1.00 0.00 C ATOM 283 C ASP A 102 -10.850 5.634 3.131 1.00 0.00 C ATOM 284 O ASP A 102 -11.961 5.348 2.685 1.00 0.00 O ATOM 285 CB ASP A 102 -10.747 7.435 4.865 1.00 0.00 C ATOM 286 CG ASP A 102 -12.102 8.007 4.499 1.00 0.00 C ATOM 287 OD1 ASP A 102 -12.285 8.398 3.326 1.00 0.00 O ATOM 288 OD2 ASP A 102 -12.981 8.067 5.384 1.00 0.00 O ATOM 0 H ASP A 102 -8.579 5.688 4.563 1.00 0.00 H new ATOM 0 HA ASP A 102 -11.460 5.426 5.163 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.542 7.639 5.916 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -9.974 7.940 4.285 1.00 0.00 H new ATOM 293 N GLY A 103 -9.765 5.708 2.363 1.00 0.00 N ATOM 294 CA GLY A 103 -9.855 5.448 0.938 1.00 0.00 C ATOM 295 C GLY A 103 -8.546 4.971 0.339 1.00 0.00 C ATOM 296 O GLY A 103 -8.470 3.871 -0.209 1.00 0.00 O ATOM 0 H GLY A 103 -8.831 5.942 2.701 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -10.625 4.697 0.759 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -10.172 6.358 0.428 1.00 0.00 H new ATOM 300 N CYS A 104 -7.514 5.799 0.435 1.00 0.00 N ATOM 301 CA CYS A 104 -6.206 5.456 -0.112 1.00 0.00 C ATOM 302 C CYS A 104 -5.258 4.959 0.975 1.00 0.00 C ATOM 303 O CYS A 104 -4.592 5.754 1.638 1.00 0.00 O ATOM 304 CB CYS A 104 -5.597 6.668 -0.815 1.00 0.00 C ATOM 305 SG CYS A 104 -6.603 7.321 -2.168 1.00 0.00 S ATOM 0 H CYS A 104 -7.556 6.713 0.886 1.00 0.00 H new ATOM 0 HA CYS A 104 -6.348 4.650 -0.832 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -5.438 7.458 -0.081 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -4.617 6.393 -1.205 1.00 0.00 H new ATOM 0 HG CYS A 104 -6.005 8.346 -2.698 1.00 0.00 H new ATOM 311 N GLY A 105 -5.200 3.642 1.157 1.00 0.00 N ATOM 312 CA GLY A 105 -4.315 3.075 2.161 1.00 0.00 C ATOM 313 C GLY A 105 -2.860 3.133 1.741 1.00 0.00 C ATOM 314 O GLY A 105 -2.355 4.193 1.369 1.00 0.00 O ATOM 0 H GLY A 105 -5.747 2.961 0.631 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.442 3.613 3.100 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.596 2.039 2.347 1.00 0.00 H new ATOM 318 N HIS A 106 -2.183 1.991 1.799 1.00 0.00 N ATOM 319 CA HIS A 106 -0.779 1.915 1.412 1.00 0.00 C ATOM 320 C HIS A 106 -0.651 1.374 -0.005 1.00 0.00 C ATOM 321 O HIS A 106 -1.035 0.238 -0.285 1.00 0.00 O ATOM 322 CB HIS A 106 0.000 1.027 2.381 1.00 0.00 C ATOM 323 CG HIS A 106 -0.207 1.386 3.819 1.00 0.00 C ATOM 324 ND1 HIS A 106 0.269 2.554 4.379 1.00 0.00 N ATOM 325 CD2 HIS A 106 -0.842 0.726 4.815 1.00 0.00 C ATOM 326 CE1 HIS A 106 -0.065 2.596 5.657 1.00 0.00 C ATOM 327 NE2 HIS A 106 -0.739 1.499 5.946 1.00 0.00 N ATOM 0 H HIS A 106 -2.584 1.106 2.110 1.00 0.00 H new ATOM 0 HA HIS A 106 -0.360 2.921 1.448 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -0.296 -0.011 2.228 1.00 0.00 H new ATOM 0 HB3 HIS A 106 1.063 1.093 2.148 1.00 0.00 H new ATOM 0 HD1 HIS A 106 0.796 3.273 3.884 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -1.338 -0.230 4.736 1.00 0.00 H new ATOM 0 HE1 HIS A 106 0.173 3.392 6.347 1.00 0.00 H new ATOM 336 N ASN A 107 -0.107 2.192 -0.896 1.00 0.00 N ATOM 337 CA ASN A 107 0.060 1.799 -2.290 1.00 0.00 C ATOM 338 C ASN A 107 1.528 1.541 -2.615 1.00 0.00 C ATOM 339 O ASN A 107 2.404 2.323 -2.245 1.00 0.00 O ATOM 340 CB ASN A 107 -0.496 2.885 -3.215 1.00 0.00 C ATOM 341 CG ASN A 107 -1.826 3.444 -2.738 1.00 0.00 C ATOM 342 OD1 ASN A 107 -2.615 2.624 -2.047 1.00 0.00 O flip ATOM 343 ND2 ASN A 107 -2.144 4.606 -2.989 1.00 0.00 N flip ATOM 0 H ASN A 107 0.226 3.131 -0.679 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.494 0.874 -2.449 1.00 0.00 H new ATOM 0 HB2 ASN A 107 0.228 3.697 -3.290 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -0.619 2.474 -4.217 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -1.512 5.204 -3.522 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -3.039 4.971 -2.664 1.00 0.00 H new ATOM 350 N CYS A 108 1.788 0.437 -3.309 1.00 0.00 N ATOM 351 CA CYS A 108 3.150 0.077 -3.688 1.00 0.00 C ATOM 352 C CYS A 108 3.807 1.207 -4.470 1.00 0.00 C ATOM 353 O CYS A 108 3.309 1.623 -5.514 1.00 0.00 O ATOM 354 CB CYS A 108 3.152 -1.196 -4.539 1.00 0.00 C ATOM 355 SG CYS A 108 4.798 -1.896 -4.811 1.00 0.00 S ATOM 0 H CYS A 108 1.075 -0.223 -3.620 1.00 0.00 H new ATOM 0 HA CYS A 108 3.716 -0.101 -2.774 1.00 0.00 H new ATOM 0 HB2 CYS A 108 2.525 -1.945 -4.055 1.00 0.00 H new ATOM 0 HB3 CYS A 108 2.698 -0.976 -5.505 1.00 0.00 H new ATOM 0 HG CYS A 108 4.686 -3.134 -5.192 1.00 0.00 H new ATOM 360 N SER A 109 4.930 1.695 -3.961 1.00 0.00 N ATOM 361 CA SER A 109 5.658 2.771 -4.619 1.00 0.00 C ATOM 362 C SER A 109 6.065 2.366 -6.034 1.00 0.00 C ATOM 363 O SER A 109 6.390 3.218 -6.862 1.00 0.00 O ATOM 364 CB SER A 109 6.899 3.148 -3.807 1.00 0.00 C ATOM 365 OG SER A 109 7.633 4.179 -4.445 1.00 0.00 O ATOM 0 H SER A 109 5.356 1.363 -3.096 1.00 0.00 H new ATOM 0 HA SER A 109 4.998 3.636 -4.683 1.00 0.00 H new ATOM 0 HB2 SER A 109 6.600 3.473 -2.811 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.534 2.271 -3.679 1.00 0.00 H new ATOM 0 HG SER A 109 7.800 4.904 -3.807 1.00 0.00 H new ATOM 371 N TYR A 110 6.047 1.062 -6.309 1.00 0.00 N ATOM 372 CA TYR A 110 6.416 0.556 -7.622 1.00 0.00 C ATOM 373 C TYR A 110 5.183 0.133 -8.426 1.00 0.00 C ATOM 374 O TYR A 110 4.748 0.844 -9.332 1.00 0.00 O ATOM 375 CB TYR A 110 7.376 -0.627 -7.471 1.00 0.00 C ATOM 376 CG TYR A 110 8.663 -0.278 -6.756 1.00 0.00 C ATOM 377 CD1 TYR A 110 9.689 0.383 -7.420 1.00 0.00 C ATOM 378 CD2 TYR A 110 8.855 -0.610 -5.417 1.00 0.00 C ATOM 379 CE1 TYR A 110 10.868 0.704 -6.774 1.00 0.00 C ATOM 380 CE2 TYR A 110 10.032 -0.292 -4.766 1.00 0.00 C ATOM 381 CZ TYR A 110 11.035 0.363 -5.449 1.00 0.00 C ATOM 382 OH TYR A 110 12.207 0.682 -4.802 1.00 0.00 O ATOM 0 H TYR A 110 5.781 0.341 -5.638 1.00 0.00 H new ATOM 0 HA TYR A 110 6.911 1.359 -8.168 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.872 -1.425 -6.925 1.00 0.00 H new ATOM 0 HB3 TYR A 110 7.615 -1.018 -8.460 1.00 0.00 H new ATOM 0 HD1 TYR A 110 9.563 0.651 -8.459 1.00 0.00 H new ATOM 0 HD2 TYR A 110 8.072 -1.124 -4.879 1.00 0.00 H new ATOM 0 HE1 TYR A 110 11.655 1.220 -7.305 1.00 0.00 H new ATOM 0 HE2 TYR A 110 10.166 -0.555 -3.727 1.00 0.00 H new ATOM 0 HH TYR A 110 12.163 0.372 -3.873 1.00 0.00 H new ATOM 392 N CYS A 111 4.629 -1.027 -8.087 1.00 0.00 N ATOM 393 CA CYS A 111 3.452 -1.554 -8.774 1.00 0.00 C ATOM 394 C CYS A 111 2.267 -0.598 -8.680 1.00 0.00 C ATOM 395 O CYS A 111 1.370 -0.629 -9.521 1.00 0.00 O ATOM 396 CB CYS A 111 3.047 -2.905 -8.178 1.00 0.00 C ATOM 397 SG CYS A 111 4.438 -4.035 -7.859 1.00 0.00 S ATOM 0 H CYS A 111 4.978 -1.624 -7.337 1.00 0.00 H new ATOM 0 HA CYS A 111 3.721 -1.674 -9.824 1.00 0.00 H new ATOM 0 HB2 CYS A 111 2.515 -2.731 -7.243 1.00 0.00 H new ATOM 0 HB3 CYS A 111 2.347 -3.393 -8.857 1.00 0.00 H new ATOM 402 N GLN A 112 2.267 0.245 -7.649 1.00 0.00 N ATOM 403 CA GLN A 112 1.177 1.196 -7.430 1.00 0.00 C ATOM 404 C GLN A 112 -0.065 0.494 -6.869 1.00 0.00 C ATOM 405 O GLN A 112 -1.097 1.130 -6.649 1.00 0.00 O ATOM 406 CB GLN A 112 0.818 1.923 -8.730 1.00 0.00 C ATOM 407 CG GLN A 112 2.024 2.451 -9.488 1.00 0.00 C ATOM 408 CD GLN A 112 2.769 3.528 -8.724 1.00 0.00 C ATOM 409 OE1 GLN A 112 3.731 3.117 -7.906 1.00 0.00 O flip ATOM 410 NE2 GLN A 112 2.481 4.718 -8.866 1.00 0.00 N flip ATOM 0 H GLN A 112 3.010 0.289 -6.951 1.00 0.00 H new ATOM 0 HA GLN A 112 1.523 1.928 -6.700 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.264 1.242 -9.376 1.00 0.00 H new ATOM 0 HB3 GLN A 112 0.153 2.755 -8.499 1.00 0.00 H new ATOM 0 HG2 GLN A 112 2.704 1.626 -9.701 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.698 2.852 -10.448 1.00 0.00 H new ATOM 0 HE21 GLN A 112 1.734 4.989 -9.506 1.00 0.00 H new ATOM 0 HE22 GLN A 112 2.989 5.432 -8.344 1.00 0.00 H new ATOM 419 N THR A 113 0.035 -0.818 -6.636 1.00 0.00 N ATOM 420 CA THR A 113 -1.079 -1.590 -6.104 1.00 0.00 C ATOM 421 C THR A 113 -1.415 -1.160 -4.683 1.00 0.00 C ATOM 422 O THR A 113 -0.528 -0.821 -3.899 1.00 0.00 O ATOM 423 CB THR A 113 -0.770 -3.099 -6.109 1.00 0.00 C ATOM 424 OG1 THR A 113 -0.476 -3.535 -7.441 1.00 0.00 O ATOM 425 CG2 THR A 113 -1.945 -3.896 -5.558 1.00 0.00 C ATOM 0 H THR A 113 0.879 -1.363 -6.809 1.00 0.00 H new ATOM 0 HA THR A 113 -1.934 -1.398 -6.752 1.00 0.00 H new ATOM 0 HB THR A 113 0.097 -3.271 -5.470 1.00 0.00 H new ATOM 0 HG1 THR A 113 -0.279 -4.495 -7.435 1.00 0.00 H new ATOM 0 HG21 THR A 113 -1.702 -4.959 -5.572 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.148 -3.584 -4.534 1.00 0.00 H new ATOM 0 HG23 THR A 113 -2.827 -3.717 -6.174 1.00 0.00 H new ATOM 433 N LYS A 114 -2.700 -1.177 -4.354 1.00 0.00 N ATOM 434 CA LYS A 114 -3.147 -0.790 -3.024 1.00 0.00 C ATOM 435 C LYS A 114 -3.101 -1.975 -2.067 1.00 0.00 C ATOM 436 O LYS A 114 -3.840 -2.947 -2.227 1.00 0.00 O ATOM 437 CB LYS A 114 -4.562 -0.220 -3.079 1.00 0.00 C ATOM 438 CG LYS A 114 -4.721 0.915 -4.077 1.00 0.00 C ATOM 439 CD LYS A 114 -6.141 1.456 -4.091 1.00 0.00 C ATOM 440 CE LYS A 114 -7.147 0.373 -4.449 1.00 0.00 C ATOM 441 NZ LYS A 114 -8.537 0.904 -4.503 1.00 0.00 N ATOM 0 H LYS A 114 -3.449 -1.454 -4.989 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.470 -0.020 -2.654 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.257 -1.019 -3.336 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.840 0.137 -2.087 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -4.028 1.718 -3.828 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -4.456 0.563 -5.074 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.383 1.870 -3.112 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.213 2.273 -4.809 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -6.886 -0.060 -5.414 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -7.093 -0.430 -3.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -9.193 0.136 -4.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.796 1.295 -3.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.595 1.653 -5.222 1.00 0.00 H new ATOM 455 N PHE A 115 -2.225 -1.886 -1.074 1.00 0.00 N ATOM 456 CA PHE A 115 -2.082 -2.947 -0.087 1.00 0.00 C ATOM 457 C PHE A 115 -2.161 -2.393 1.331 1.00 0.00 C ATOM 458 O PHE A 115 -2.026 -1.188 1.551 1.00 0.00 O ATOM 459 CB PHE A 115 -0.770 -3.709 -0.288 1.00 0.00 C ATOM 460 CG PHE A 115 0.465 -2.855 -0.234 1.00 0.00 C ATOM 461 CD1 PHE A 115 0.834 -2.210 0.936 1.00 0.00 C ATOM 462 CD2 PHE A 115 1.266 -2.711 -1.355 1.00 0.00 C ATOM 463 CE1 PHE A 115 1.980 -1.437 0.985 1.00 0.00 C ATOM 464 CE2 PHE A 115 2.411 -1.940 -1.312 1.00 0.00 C ATOM 465 CZ PHE A 115 2.769 -1.303 -0.142 1.00 0.00 C ATOM 0 H PHE A 115 -1.603 -1.090 -0.931 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.909 -3.642 -0.229 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.694 -4.483 0.476 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.804 -4.215 -1.253 1.00 0.00 H new ATOM 0 HD1 PHE A 115 0.220 -2.312 1.819 1.00 0.00 H new ATOM 0 HD2 PHE A 115 0.992 -3.208 -2.274 1.00 0.00 H new ATOM 0 HE1 PHE A 115 2.258 -0.939 1.902 1.00 0.00 H new ATOM 0 HE2 PHE A 115 3.026 -1.836 -2.194 1.00 0.00 H new ATOM 0 HZ PHE A 115 3.665 -0.700 -0.107 1.00 0.00 H new ATOM 475 N CYS A 116 -2.380 -3.287 2.285 1.00 0.00 N ATOM 476 CA CYS A 116 -2.494 -2.911 3.686 1.00 0.00 C ATOM 477 C CYS A 116 -1.120 -2.866 4.344 1.00 0.00 C ATOM 478 O CYS A 116 -0.123 -3.281 3.752 1.00 0.00 O ATOM 479 CB CYS A 116 -3.399 -3.902 4.423 1.00 0.00 C ATOM 480 SG CYS A 116 -2.741 -5.601 4.496 1.00 0.00 S ATOM 0 H CYS A 116 -2.483 -4.287 2.111 1.00 0.00 H new ATOM 0 HA CYS A 116 -2.936 -1.916 3.743 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -3.561 -3.543 5.439 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -4.372 -3.922 3.933 1.00 0.00 H new ATOM 485 N ALA A 117 -1.072 -2.365 5.572 1.00 0.00 N ATOM 486 CA ALA A 117 0.181 -2.266 6.310 1.00 0.00 C ATOM 487 C ALA A 117 0.807 -3.639 6.549 1.00 0.00 C ATOM 488 O ALA A 117 1.980 -3.739 6.908 1.00 0.00 O ATOM 489 CB ALA A 117 -0.044 -1.551 7.633 1.00 0.00 C ATOM 0 H ALA A 117 -1.888 -2.020 6.079 1.00 0.00 H new ATOM 0 HA ALA A 117 0.878 -1.687 5.704 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.899 -1.483 8.175 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.427 -0.548 7.444 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.766 -2.108 8.230 1.00 0.00 H new ATOM 495 N ARG A 118 0.024 -4.698 6.349 1.00 0.00 N ATOM 496 CA ARG A 118 0.515 -6.056 6.551 1.00 0.00 C ATOM 497 C ARG A 118 1.017 -6.672 5.248 1.00 0.00 C ATOM 498 O ARG A 118 1.757 -7.655 5.265 1.00 0.00 O ATOM 499 CB ARG A 118 -0.585 -6.929 7.155 1.00 0.00 C ATOM 500 CG ARG A 118 -1.070 -6.439 8.509 1.00 0.00 C ATOM 501 CD ARG A 118 -2.180 -7.319 9.060 1.00 0.00 C ATOM 502 NE ARG A 118 -2.643 -6.859 10.366 1.00 0.00 N ATOM 503 CZ ARG A 118 -3.713 -7.348 10.984 1.00 0.00 C ATOM 504 NH1 ARG A 118 -4.427 -8.310 10.416 1.00 0.00 N ATOM 505 NH2 ARG A 118 -4.069 -6.876 12.171 1.00 0.00 N ATOM 0 H ARG A 118 -0.949 -4.640 6.048 1.00 0.00 H new ATOM 0 HA ARG A 118 1.357 -6.006 7.242 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -1.429 -6.965 6.466 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -0.214 -7.949 7.258 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -0.236 -6.423 9.211 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -1.429 -5.414 8.418 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -3.016 -7.328 8.361 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -1.822 -8.345 9.143 1.00 0.00 H new ATOM 0 HE ARG A 118 -2.115 -6.120 10.831 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -4.155 -8.676 9.503 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -5.248 -8.684 10.892 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -3.521 -6.137 12.611 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -4.891 -7.252 12.644 1.00 0.00 H new ATOM 519 N CYS A 119 0.617 -6.095 4.117 1.00 0.00 N ATOM 520 CA CYS A 119 1.040 -6.601 2.818 1.00 0.00 C ATOM 521 C CYS A 119 2.065 -5.673 2.180 1.00 0.00 C ATOM 522 O CYS A 119 2.096 -5.503 0.961 1.00 0.00 O ATOM 523 CB CYS A 119 -0.162 -6.767 1.894 1.00 0.00 C ATOM 524 SG CYS A 119 -1.236 -8.175 2.323 1.00 0.00 S ATOM 0 H CYS A 119 0.004 -5.281 4.076 1.00 0.00 H new ATOM 0 HA CYS A 119 1.505 -7.575 2.971 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -0.754 -5.852 1.916 1.00 0.00 H new ATOM 0 HB3 CYS A 119 0.193 -6.892 0.871 1.00 0.00 H new ATOM 529 N GLY A 120 2.903 -5.076 3.018 1.00 0.00 N ATOM 530 CA GLY A 120 3.927 -4.171 2.532 1.00 0.00 C ATOM 531 C GLY A 120 4.828 -3.676 3.646 1.00 0.00 C ATOM 532 O GLY A 120 4.638 -4.031 4.809 1.00 0.00 O ATOM 0 H GLY A 120 2.891 -5.203 4.030 1.00 0.00 H new ATOM 0 HA2 GLY A 120 4.529 -4.678 1.778 1.00 0.00 H new ATOM 0 HA3 GLY A 120 3.455 -3.319 2.043 1.00 0.00 H new ATOM 536 N GLY A 121 5.809 -2.851 3.295 1.00 0.00 N ATOM 537 CA GLY A 121 6.724 -2.326 4.291 1.00 0.00 C ATOM 538 C GLY A 121 6.915 -0.826 4.177 1.00 0.00 C ATOM 539 O GLY A 121 6.616 -0.231 3.141 1.00 0.00 O ATOM 0 H GLY A 121 5.986 -2.537 2.341 1.00 0.00 H new ATOM 0 HA2 GLY A 121 6.348 -2.566 5.286 1.00 0.00 H new ATOM 0 HA3 GLY A 121 7.690 -2.820 4.187 1.00 0.00 H new ATOM 543 N ARG A 122 7.417 -0.215 5.245 1.00 0.00 N ATOM 544 CA ARG A 122 7.652 1.224 5.267 1.00 0.00 C ATOM 545 C ARG A 122 9.041 1.554 4.728 1.00 0.00 C ATOM 546 O ARG A 122 10.033 0.944 5.130 1.00 0.00 O ATOM 547 CB ARG A 122 7.504 1.763 6.692 1.00 0.00 C ATOM 548 CG ARG A 122 6.112 1.575 7.273 1.00 0.00 C ATOM 549 CD ARG A 122 6.069 1.956 8.744 1.00 0.00 C ATOM 550 NE ARG A 122 4.723 1.841 9.300 1.00 0.00 N ATOM 551 CZ ARG A 122 4.462 1.855 10.604 1.00 0.00 C ATOM 552 NH1 ARG A 122 5.452 1.971 11.479 1.00 0.00 N ATOM 553 NH2 ARG A 122 3.212 1.750 11.033 1.00 0.00 N ATOM 0 H ARG A 122 7.669 -0.695 6.109 1.00 0.00 H new ATOM 0 HA ARG A 122 6.910 1.700 4.627 1.00 0.00 H new ATOM 0 HB2 ARG A 122 8.228 1.265 7.337 1.00 0.00 H new ATOM 0 HB3 ARG A 122 7.750 2.825 6.697 1.00 0.00 H new ATOM 0 HG2 ARG A 122 5.399 2.183 6.717 1.00 0.00 H new ATOM 0 HG3 ARG A 122 5.804 0.536 7.156 1.00 0.00 H new ATOM 0 HD2 ARG A 122 6.749 1.314 9.305 1.00 0.00 H new ATOM 0 HD3 ARG A 122 6.425 2.979 8.864 1.00 0.00 H new ATOM 0 HE ARG A 122 3.941 1.745 8.653 1.00 0.00 H new ATOM 0 HH11 ARG A 122 6.415 2.050 11.152 1.00 0.00 H new ATOM 0 HH12 ARG A 122 5.250 1.982 12.479 1.00 0.00 H new ATOM 0 HH21 ARG A 122 2.449 1.658 10.363 1.00 0.00 H new ATOM 0 HH22 ARG A 122 3.014 1.761 12.033 1.00 0.00 H new ATOM 567 N VAL A 123 9.105 2.519 3.818 1.00 0.00 N ATOM 568 CA VAL A 123 10.372 2.925 3.224 1.00 0.00 C ATOM 569 C VAL A 123 10.517 4.442 3.215 1.00 0.00 C ATOM 570 O VAL A 123 9.706 5.150 2.620 1.00 0.00 O ATOM 571 CB VAL A 123 10.510 2.399 1.782 1.00 0.00 C ATOM 572 CG1 VAL A 123 11.844 2.813 1.184 1.00 0.00 C ATOM 573 CG2 VAL A 123 10.348 0.886 1.749 1.00 0.00 C ATOM 0 H VAL A 123 8.294 3.034 3.476 1.00 0.00 H new ATOM 0 HA VAL A 123 11.161 2.492 3.839 1.00 0.00 H new ATOM 0 HB VAL A 123 9.718 2.841 1.178 1.00 0.00 H new ATOM 0 HG11 VAL A 123 11.921 2.431 0.166 1.00 0.00 H new ATOM 0 HG12 VAL A 123 11.915 3.901 1.170 1.00 0.00 H new ATOM 0 HG13 VAL A 123 12.655 2.405 1.787 1.00 0.00 H new ATOM 0 HG21 VAL A 123 10.448 0.532 0.723 1.00 0.00 H new ATOM 0 HG22 VAL A 123 11.116 0.424 2.369 1.00 0.00 H new ATOM 0 HG23 VAL A 123 9.363 0.617 2.131 1.00 0.00 H new ATOM 583 N SER A 124 11.556 4.935 3.881 1.00 0.00 N ATOM 584 CA SER A 124 11.811 6.370 3.949 1.00 0.00 C ATOM 585 C SER A 124 12.756 6.803 2.832 1.00 0.00 C ATOM 586 O SER A 124 13.803 6.192 2.621 1.00 0.00 O ATOM 587 CB SER A 124 12.407 6.737 5.310 1.00 0.00 C ATOM 588 OG SER A 124 13.622 6.045 5.537 1.00 0.00 O ATOM 0 H SER A 124 12.235 4.362 4.382 1.00 0.00 H new ATOM 0 HA SER A 124 10.863 6.893 3.823 1.00 0.00 H new ATOM 0 HB2 SER A 124 12.583 7.812 5.356 1.00 0.00 H new ATOM 0 HB3 SER A 124 11.695 6.497 6.099 1.00 0.00 H new ATOM 0 HG SER A 124 14.080 5.899 4.683 1.00 0.00 H new ATOM 594 N LEU A 125 12.380 7.862 2.121 1.00 0.00 N ATOM 595 CA LEU A 125 13.192 8.374 1.024 1.00 0.00 C ATOM 596 C LEU A 125 13.075 9.892 0.917 1.00 0.00 C ATOM 597 O LEU A 125 12.207 10.504 1.538 1.00 0.00 O ATOM 598 CB LEU A 125 12.766 7.730 -0.297 1.00 0.00 C ATOM 599 CG LEU A 125 13.012 6.224 -0.394 1.00 0.00 C ATOM 600 CD1 LEU A 125 12.465 5.678 -1.704 1.00 0.00 C ATOM 601 CD2 LEU A 125 14.495 5.917 -0.265 1.00 0.00 C ATOM 0 H LEU A 125 11.518 8.382 2.286 1.00 0.00 H new ATOM 0 HA LEU A 125 14.232 8.120 1.230 1.00 0.00 H new ATOM 0 HB2 LEU A 125 11.703 7.919 -0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 125 13.298 8.222 -1.111 1.00 0.00 H new ATOM 0 HG LEU A 125 12.488 5.736 0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 125 12.649 4.605 -1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 125 11.393 5.865 -1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 125 12.961 6.172 -2.539 1.00 0.00 H new ATOM 0 HD21 LEU A 125 14.651 4.841 -0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 125 15.041 6.417 -1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 125 14.858 6.273 0.699 1.00 0.00 H new ATOM 613 N ARG A 126 13.958 10.491 0.123 1.00 0.00 N ATOM 614 CA ARG A 126 13.955 11.936 -0.074 1.00 0.00 C ATOM 615 C ARG A 126 14.022 12.671 1.262 1.00 0.00 C ATOM 616 O ARG A 126 14.249 12.060 2.306 1.00 0.00 O ATOM 617 CB ARG A 126 12.702 12.354 -0.851 1.00 0.00 C ATOM 618 CG ARG A 126 12.580 11.670 -2.203 1.00 0.00 C ATOM 619 CD ARG A 126 11.335 12.119 -2.950 1.00 0.00 C ATOM 620 NE ARG A 126 11.233 11.487 -4.264 1.00 0.00 N ATOM 621 CZ ARG A 126 10.121 11.474 -4.991 1.00 0.00 C ATOM 622 NH1 ARG A 126 9.020 12.055 -4.534 1.00 0.00 N ATOM 623 NH2 ARG A 126 10.109 10.879 -6.176 1.00 0.00 N ATOM 0 H ARG A 126 14.685 9.997 -0.395 1.00 0.00 H new ATOM 0 HA ARG A 126 14.839 12.207 -0.651 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.819 12.125 -0.254 1.00 0.00 H new ATOM 0 HB3 ARG A 126 12.717 13.434 -0.997 1.00 0.00 H new ATOM 0 HG2 ARG A 126 13.463 11.890 -2.803 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.550 10.589 -2.063 1.00 0.00 H new ATOM 0 HD2 ARG A 126 10.451 11.877 -2.361 1.00 0.00 H new ATOM 0 HD3 ARG A 126 11.353 13.202 -3.068 1.00 0.00 H new ATOM 0 HE ARG A 126 12.062 11.030 -4.644 1.00 0.00 H new ATOM 0 HH11 ARG A 126 9.026 12.513 -3.623 1.00 0.00 H new ATOM 0 HH12 ARG A 126 8.167 12.044 -5.094 1.00 0.00 H new ATOM 0 HH21 ARG A 126 10.954 10.431 -6.530 1.00 0.00 H new ATOM 0 HH22 ARG A 126 9.255 10.870 -6.733 1.00 0.00 H new ATOM 637 N SER A 127 13.826 13.988 1.222 1.00 0.00 N ATOM 638 CA SER A 127 13.870 14.813 2.429 1.00 0.00 C ATOM 639 C SER A 127 13.115 14.159 3.584 1.00 0.00 C ATOM 640 O SER A 127 13.632 14.058 4.697 1.00 0.00 O ATOM 641 CB SER A 127 13.287 16.198 2.144 1.00 0.00 C ATOM 642 OG SER A 127 11.932 16.108 1.738 1.00 0.00 O ATOM 0 H SER A 127 13.635 14.508 0.365 1.00 0.00 H new ATOM 0 HA SER A 127 14.915 14.913 2.723 1.00 0.00 H new ATOM 0 HB2 SER A 127 13.362 16.818 3.037 1.00 0.00 H new ATOM 0 HB3 SER A 127 13.871 16.689 1.366 1.00 0.00 H new ATOM 0 HG SER A 127 11.353 16.108 2.529 1.00 0.00 H new ATOM 648 N ASN A 128 11.890 13.716 3.314 1.00 0.00 N ATOM 649 CA ASN A 128 11.074 13.074 4.338 1.00 0.00 C ATOM 650 C ASN A 128 9.748 12.588 3.761 1.00 0.00 C ATOM 651 O ASN A 128 8.705 12.697 4.407 1.00 0.00 O ATOM 652 CB ASN A 128 10.814 14.041 5.495 1.00 0.00 C ATOM 653 CG ASN A 128 10.106 15.304 5.043 1.00 0.00 C ATOM 654 OD1 ASN A 128 10.272 15.751 3.908 1.00 0.00 O ATOM 655 ND2 ASN A 128 9.311 15.887 5.934 1.00 0.00 N ATOM 0 H ASN A 128 11.443 13.790 2.400 1.00 0.00 H new ATOM 0 HA ASN A 128 11.624 12.210 4.710 1.00 0.00 H new ATOM 0 HB2 ASN A 128 10.212 13.542 6.254 1.00 0.00 H new ATOM 0 HB3 ASN A 128 11.762 14.306 5.963 1.00 0.00 H new ATOM 0 HD21 ASN A 128 8.809 16.740 5.688 1.00 0.00 H new ATOM 0 HD22 ASN A 128 9.203 15.481 6.864 1.00 0.00 H new ATOM 662 N LYS A 129 9.791 12.057 2.545 1.00 0.00 N ATOM 663 CA LYS A 129 8.589 11.551 1.893 1.00 0.00 C ATOM 664 C LYS A 129 8.335 10.101 2.289 1.00 0.00 C ATOM 665 O LYS A 129 9.267 9.303 2.391 1.00 0.00 O ATOM 666 CB LYS A 129 8.714 11.662 0.373 1.00 0.00 C ATOM 667 CG LYS A 129 7.440 11.293 -0.370 1.00 0.00 C ATOM 668 CD LYS A 129 6.268 12.153 0.074 1.00 0.00 C ATOM 669 CE LYS A 129 6.545 13.631 -0.149 1.00 0.00 C ATOM 670 NZ LYS A 129 5.419 14.484 0.322 1.00 0.00 N ATOM 0 H LYS A 129 10.643 11.966 1.991 1.00 0.00 H new ATOM 0 HA LYS A 129 7.745 12.158 2.221 1.00 0.00 H new ATOM 0 HB2 LYS A 129 8.994 12.683 0.113 1.00 0.00 H new ATOM 0 HB3 LYS A 129 9.523 11.014 0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 129 7.595 11.413 -1.442 1.00 0.00 H new ATOM 0 HG3 LYS A 129 7.208 10.242 -0.197 1.00 0.00 H new ATOM 0 HD2 LYS A 129 5.373 11.862 -0.476 1.00 0.00 H new ATOM 0 HD3 LYS A 129 6.064 11.975 1.130 1.00 0.00 H new ATOM 0 HE2 LYS A 129 7.458 13.913 0.376 1.00 0.00 H new ATOM 0 HE3 LYS A 129 6.718 13.812 -1.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 5.647 15.484 0.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 4.553 14.233 -0.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 5.270 14.331 1.340 1.00 0.00 H new ATOM 684 N VAL A 130 7.070 9.766 2.509 1.00 0.00 N ATOM 685 CA VAL A 130 6.696 8.412 2.899 1.00 0.00 C ATOM 686 C VAL A 130 6.229 7.592 1.701 1.00 0.00 C ATOM 687 O VAL A 130 5.372 8.027 0.933 1.00 0.00 O ATOM 688 CB VAL A 130 5.582 8.422 3.961 1.00 0.00 C ATOM 689 CG1 VAL A 130 5.331 7.016 4.486 1.00 0.00 C ATOM 690 CG2 VAL A 130 5.941 9.366 5.096 1.00 0.00 C ATOM 0 H VAL A 130 6.286 10.413 2.424 1.00 0.00 H new ATOM 0 HA VAL A 130 7.591 7.952 3.319 1.00 0.00 H new ATOM 0 HB VAL A 130 4.663 8.779 3.496 1.00 0.00 H new ATOM 0 HG11 VAL A 130 4.540 7.043 5.236 1.00 0.00 H new ATOM 0 HG12 VAL A 130 5.028 6.369 3.663 1.00 0.00 H new ATOM 0 HG13 VAL A 130 6.244 6.627 4.936 1.00 0.00 H new ATOM 0 HG21 VAL A 130 5.143 9.362 5.839 1.00 0.00 H new ATOM 0 HG22 VAL A 130 6.871 9.039 5.561 1.00 0.00 H new ATOM 0 HG23 VAL A 130 6.066 10.375 4.704 1.00 0.00 H new ATOM 700 N MET A 131 6.802 6.402 1.550 1.00 0.00 N ATOM 701 CA MET A 131 6.440 5.510 0.455 1.00 0.00 C ATOM 702 C MET A 131 6.347 4.072 0.940 1.00 0.00 C ATOM 703 O MET A 131 7.162 3.621 1.746 1.00 0.00 O ATOM 704 CB MET A 131 7.455 5.610 -0.681 1.00 0.00 C ATOM 705 CG MET A 131 7.677 7.032 -1.161 1.00 0.00 C ATOM 706 SD MET A 131 8.534 7.106 -2.746 1.00 0.00 S ATOM 707 CE MET A 131 8.589 8.876 -3.017 1.00 0.00 C ATOM 0 H MET A 131 7.520 6.033 2.173 1.00 0.00 H new ATOM 0 HA MET A 131 5.463 5.818 0.081 1.00 0.00 H new ATOM 0 HB2 MET A 131 8.406 5.193 -0.348 1.00 0.00 H new ATOM 0 HB3 MET A 131 7.115 5.000 -1.518 1.00 0.00 H new ATOM 0 HG2 MET A 131 6.714 7.536 -1.249 1.00 0.00 H new ATOM 0 HG3 MET A 131 8.255 7.577 -0.414 1.00 0.00 H new ATOM 0 HE1 MET A 131 8.893 9.078 -4.044 1.00 0.00 H new ATOM 0 HE2 MET A 131 7.601 9.302 -2.841 1.00 0.00 H new ATOM 0 HE3 MET A 131 9.306 9.327 -2.331 1.00 0.00 H new ATOM 717 N TRP A 132 5.350 3.359 0.443 1.00 0.00 N ATOM 718 CA TRP A 132 5.135 1.969 0.826 1.00 0.00 C ATOM 719 C TRP A 132 5.487 1.017 -0.313 1.00 0.00 C ATOM 720 O TRP A 132 5.267 1.325 -1.484 1.00 0.00 O ATOM 721 CB TRP A 132 3.685 1.759 1.262 1.00 0.00 C ATOM 722 CG TRP A 132 3.423 2.189 2.672 1.00 0.00 C ATOM 723 CD1 TRP A 132 3.170 3.455 3.113 1.00 0.00 C ATOM 724 CD2 TRP A 132 3.394 1.346 3.829 1.00 0.00 C ATOM 725 NE1 TRP A 132 2.982 3.452 4.474 1.00 0.00 N ATOM 726 CE2 TRP A 132 3.115 2.168 4.938 1.00 0.00 C ATOM 727 CE3 TRP A 132 3.576 -0.024 4.035 1.00 0.00 C ATOM 728 CZ2 TRP A 132 3.014 1.665 6.231 1.00 0.00 C ATOM 729 CZ3 TRP A 132 3.476 -0.523 5.320 1.00 0.00 C ATOM 730 CH2 TRP A 132 3.196 0.320 6.404 1.00 0.00 C ATOM 0 H TRP A 132 4.673 3.719 -0.229 1.00 0.00 H new ATOM 0 HA TRP A 132 5.795 1.747 1.664 1.00 0.00 H new ATOM 0 HB2 TRP A 132 3.027 2.313 0.592 1.00 0.00 H new ATOM 0 HB3 TRP A 132 3.431 0.704 1.158 1.00 0.00 H new ATOM 0 HD1 TRP A 132 3.124 4.332 2.484 1.00 0.00 H new ATOM 0 HE1 TRP A 132 2.777 4.271 5.046 1.00 0.00 H new ATOM 0 HE3 TRP A 132 3.791 -0.681 3.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 2.800 2.313 7.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 3.616 -1.580 5.492 1.00 0.00 H new ATOM 0 HH2 TRP A 132 3.122 -0.101 7.396 1.00 0.00 H new ATOM 741 N VAL A 133 6.035 -0.140 0.044 1.00 0.00 N ATOM 742 CA VAL A 133 6.423 -1.147 -0.938 1.00 0.00 C ATOM 743 C VAL A 133 5.869 -2.517 -0.550 1.00 0.00 C ATOM 744 O VAL A 133 6.124 -3.010 0.548 1.00 0.00 O ATOM 745 CB VAL A 133 7.957 -1.224 -1.070 1.00 0.00 C ATOM 746 CG1 VAL A 133 8.362 -2.277 -2.086 1.00 0.00 C ATOM 747 CG2 VAL A 133 8.521 0.133 -1.456 1.00 0.00 C ATOM 0 H VAL A 133 6.221 -0.405 1.011 1.00 0.00 H new ATOM 0 HA VAL A 133 6.004 -0.854 -1.900 1.00 0.00 H new ATOM 0 HB VAL A 133 8.369 -1.512 -0.103 1.00 0.00 H new ATOM 0 HG11 VAL A 133 9.449 -2.312 -2.161 1.00 0.00 H new ATOM 0 HG12 VAL A 133 7.989 -3.251 -1.769 1.00 0.00 H new ATOM 0 HG13 VAL A 133 7.939 -2.026 -3.059 1.00 0.00 H new ATOM 0 HG21 VAL A 133 9.605 0.064 -1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 133 8.097 0.445 -2.410 1.00 0.00 H new ATOM 0 HG23 VAL A 133 8.266 0.864 -0.689 1.00 0.00 H new ATOM 757 N CYS A 134 5.113 -3.127 -1.460 1.00 0.00 N ATOM 758 CA CYS A 134 4.504 -4.430 -1.202 1.00 0.00 C ATOM 759 C CYS A 134 5.550 -5.486 -0.863 1.00 0.00 C ATOM 760 O CYS A 134 6.712 -5.386 -1.258 1.00 0.00 O ATOM 761 CB CYS A 134 3.674 -4.891 -2.403 1.00 0.00 C ATOM 762 SG CYS A 134 4.653 -5.343 -3.872 1.00 0.00 S ATOM 0 H CYS A 134 4.908 -2.741 -2.381 1.00 0.00 H new ATOM 0 HA CYS A 134 3.849 -4.311 -0.339 1.00 0.00 H new ATOM 0 HB2 CYS A 134 3.073 -5.750 -2.105 1.00 0.00 H new ATOM 0 HB3 CYS A 134 2.980 -4.096 -2.675 1.00 0.00 H new ATOM 767 N ASN A 135 5.110 -6.500 -0.122 1.00 0.00 N ATOM 768 CA ASN A 135 5.976 -7.599 0.301 1.00 0.00 C ATOM 769 C ASN A 135 6.649 -8.291 -0.885 1.00 0.00 C ATOM 770 O ASN A 135 7.635 -9.006 -0.712 1.00 0.00 O ATOM 771 CB ASN A 135 5.171 -8.621 1.106 1.00 0.00 C ATOM 772 CG ASN A 135 4.043 -9.233 0.306 1.00 0.00 C ATOM 773 OD1 ASN A 135 4.227 -10.236 -0.383 1.00 0.00 O ATOM 774 ND2 ASN A 135 2.866 -8.634 0.396 1.00 0.00 N ATOM 0 H ASN A 135 4.146 -6.584 0.202 1.00 0.00 H new ATOM 0 HA ASN A 135 6.761 -7.172 0.925 1.00 0.00 H new ATOM 0 HB2 ASN A 135 5.837 -9.412 1.452 1.00 0.00 H new ATOM 0 HB3 ASN A 135 4.762 -8.138 1.993 1.00 0.00 H new ATOM 0 HD21 ASN A 135 2.066 -9.002 -0.118 1.00 0.00 H new ATOM 0 HD22 ASN A 135 2.759 -7.804 0.980 1.00 0.00 H new ATOM 781 N LEU A 136 6.121 -8.075 -2.087 1.00 0.00 N ATOM 782 CA LEU A 136 6.683 -8.692 -3.285 1.00 0.00 C ATOM 783 C LEU A 136 7.883 -7.892 -3.775 1.00 0.00 C ATOM 784 O LEU A 136 8.846 -8.450 -4.300 1.00 0.00 O ATOM 785 CB LEU A 136 5.626 -8.767 -4.386 1.00 0.00 C ATOM 786 CG LEU A 136 4.235 -9.186 -3.912 1.00 0.00 C ATOM 787 CD1 LEU A 136 3.232 -9.091 -5.048 1.00 0.00 C ATOM 788 CD2 LEU A 136 4.268 -10.595 -3.343 1.00 0.00 C ATOM 0 H LEU A 136 5.309 -7.481 -2.257 1.00 0.00 H new ATOM 0 HA LEU A 136 7.008 -9.702 -3.036 1.00 0.00 H new ATOM 0 HB2 LEU A 136 5.552 -7.791 -4.866 1.00 0.00 H new ATOM 0 HB3 LEU A 136 5.963 -9.472 -5.146 1.00 0.00 H new ATOM 0 HG LEU A 136 3.921 -8.504 -3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 136 2.248 -9.393 -4.691 1.00 0.00 H new ATOM 0 HD12 LEU A 136 3.187 -8.063 -5.409 1.00 0.00 H new ATOM 0 HD13 LEU A 136 3.540 -9.748 -5.861 1.00 0.00 H new ATOM 0 HD21 LEU A 136 3.269 -10.877 -3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 136 4.604 -11.290 -4.112 1.00 0.00 H new ATOM 0 HD23 LEU A 136 4.955 -10.630 -2.498 1.00 0.00 H new ATOM 800 N CYS A 137 7.812 -6.581 -3.597 1.00 0.00 N ATOM 801 CA CYS A 137 8.891 -5.691 -4.000 1.00 0.00 C ATOM 802 C CYS A 137 9.921 -5.579 -2.885 1.00 0.00 C ATOM 803 O CYS A 137 11.110 -5.377 -3.135 1.00 0.00 O ATOM 804 CB CYS A 137 8.336 -4.307 -4.336 1.00 0.00 C ATOM 805 SG CYS A 137 7.480 -4.209 -5.938 1.00 0.00 S ATOM 0 H CYS A 137 7.014 -6.108 -3.174 1.00 0.00 H new ATOM 0 HA CYS A 137 9.371 -6.104 -4.887 1.00 0.00 H new ATOM 0 HB2 CYS A 137 7.644 -4.006 -3.549 1.00 0.00 H new ATOM 0 HB3 CYS A 137 9.156 -3.589 -4.332 1.00 0.00 H new ATOM 810 N ARG A 138 9.448 -5.714 -1.652 1.00 0.00 N ATOM 811 CA ARG A 138 10.310 -5.631 -0.481 1.00 0.00 C ATOM 812 C ARG A 138 11.349 -6.749 -0.480 1.00 0.00 C ATOM 813 O ARG A 138 12.526 -6.514 -0.207 1.00 0.00 O ATOM 814 CB ARG A 138 9.468 -5.705 0.793 1.00 0.00 C ATOM 815 CG ARG A 138 10.292 -5.731 2.071 1.00 0.00 C ATOM 816 CD ARG A 138 9.430 -6.062 3.278 1.00 0.00 C ATOM 817 NE ARG A 138 8.811 -7.379 3.161 1.00 0.00 N ATOM 818 CZ ARG A 138 7.921 -7.856 4.026 1.00 0.00 C ATOM 819 NH1 ARG A 138 7.545 -7.125 5.067 1.00 0.00 N ATOM 820 NH2 ARG A 138 7.406 -9.066 3.849 1.00 0.00 N ATOM 0 H ARG A 138 8.465 -5.883 -1.437 1.00 0.00 H new ATOM 0 HA ARG A 138 10.836 -4.677 -0.515 1.00 0.00 H new ATOM 0 HB2 ARG A 138 8.795 -4.848 0.823 1.00 0.00 H new ATOM 0 HB3 ARG A 138 8.845 -6.599 0.755 1.00 0.00 H new ATOM 0 HG2 ARG A 138 11.089 -6.469 1.977 1.00 0.00 H new ATOM 0 HG3 ARG A 138 10.770 -4.762 2.218 1.00 0.00 H new ATOM 0 HD2 ARG A 138 10.040 -6.027 4.180 1.00 0.00 H new ATOM 0 HD3 ARG A 138 8.654 -5.305 3.388 1.00 0.00 H new ATOM 0 HE ARG A 138 9.076 -7.967 2.371 1.00 0.00 H new ATOM 0 HH11 ARG A 138 7.939 -6.194 5.206 1.00 0.00 H new ATOM 0 HH12 ARG A 138 6.862 -7.494 5.729 1.00 0.00 H new ATOM 0 HH21 ARG A 138 7.693 -9.630 3.049 1.00 0.00 H new ATOM 0 HH22 ARG A 138 6.723 -9.432 4.513 1.00 0.00 H new ATOM 834 N LYS A 139 10.908 -7.965 -0.788 1.00 0.00 N ATOM 835 CA LYS A 139 11.799 -9.120 -0.810 1.00 0.00 C ATOM 836 C LYS A 139 12.480 -9.264 -2.167 1.00 0.00 C ATOM 837 O LYS A 139 13.696 -9.441 -2.247 1.00 0.00 O ATOM 838 CB LYS A 139 11.024 -10.397 -0.479 1.00 0.00 C ATOM 839 CG LYS A 139 11.883 -11.650 -0.489 1.00 0.00 C ATOM 840 CD LYS A 139 13.012 -11.559 0.525 1.00 0.00 C ATOM 841 CE LYS A 139 13.925 -12.773 0.453 1.00 0.00 C ATOM 842 NZ LYS A 139 13.192 -14.039 0.732 1.00 0.00 N ATOM 0 H LYS A 139 9.939 -8.176 -1.026 1.00 0.00 H new ATOM 0 HA LYS A 139 12.569 -8.962 -0.054 1.00 0.00 H new ATOM 0 HB2 LYS A 139 10.565 -10.289 0.504 1.00 0.00 H new ATOM 0 HB3 LYS A 139 10.213 -10.517 -1.198 1.00 0.00 H new ATOM 0 HG2 LYS A 139 11.263 -12.519 -0.268 1.00 0.00 H new ATOM 0 HG3 LYS A 139 12.299 -11.800 -1.485 1.00 0.00 H new ATOM 0 HD2 LYS A 139 13.593 -10.654 0.344 1.00 0.00 H new ATOM 0 HD3 LYS A 139 12.595 -11.475 1.529 1.00 0.00 H new ATOM 0 HE2 LYS A 139 14.379 -12.827 -0.537 1.00 0.00 H new ATOM 0 HE3 LYS A 139 14.738 -12.659 1.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 13.872 -14.821 0.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 12.655 -13.941 1.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 12.537 -14.240 -0.050 1.00 0.00 H new ATOM 856 N GLN A 140 11.690 -9.189 -3.232 1.00 0.00 N ATOM 857 CA GLN A 140 12.221 -9.314 -4.582 1.00 0.00 C ATOM 858 C GLN A 140 13.350 -8.315 -4.818 1.00 0.00 C ATOM 859 O GLN A 140 14.209 -8.527 -5.676 1.00 0.00 O ATOM 860 CB GLN A 140 11.111 -9.101 -5.613 1.00 0.00 C ATOM 861 CG GLN A 140 11.568 -9.305 -7.048 1.00 0.00 C ATOM 862 CD GLN A 140 12.139 -10.690 -7.283 1.00 0.00 C ATOM 863 OE1 GLN A 140 11.741 -11.657 -6.634 1.00 0.00 O ATOM 864 NE2 GLN A 140 13.078 -10.794 -8.217 1.00 0.00 N ATOM 0 H GLN A 140 10.682 -9.043 -3.186 1.00 0.00 H new ATOM 0 HA GLN A 140 12.622 -10.321 -4.695 1.00 0.00 H new ATOM 0 HB2 GLN A 140 10.292 -9.788 -5.400 1.00 0.00 H new ATOM 0 HB3 GLN A 140 10.716 -8.091 -5.506 1.00 0.00 H new ATOM 0 HG2 GLN A 140 10.726 -9.144 -7.721 1.00 0.00 H new ATOM 0 HG3 GLN A 140 12.322 -8.558 -7.296 1.00 0.00 H new ATOM 0 HE21 GLN A 140 13.379 -9.967 -8.732 1.00 0.00 H new ATOM 0 HE22 GLN A 140 13.498 -11.701 -8.419 1.00 0.00 H new ATOM 873 N GLN A 141 13.347 -7.228 -4.052 1.00 0.00 N ATOM 874 CA GLN A 141 14.377 -6.202 -4.183 1.00 0.00 C ATOM 875 C GLN A 141 15.315 -6.192 -2.975 1.00 0.00 C ATOM 876 O GLN A 141 16.081 -5.246 -2.787 1.00 0.00 O ATOM 877 CB GLN A 141 13.736 -4.823 -4.353 1.00 0.00 C ATOM 878 CG GLN A 141 12.858 -4.707 -5.589 1.00 0.00 C ATOM 879 CD GLN A 141 12.328 -3.302 -5.799 1.00 0.00 C ATOM 880 OE1 GLN A 141 11.257 -2.950 -5.304 1.00 0.00 O ATOM 881 NE2 GLN A 141 13.078 -2.492 -6.536 1.00 0.00 N ATOM 0 H GLN A 141 12.646 -7.035 -3.337 1.00 0.00 H new ATOM 0 HA GLN A 141 14.966 -6.438 -5.069 1.00 0.00 H new ATOM 0 HB2 GLN A 141 13.137 -4.599 -3.470 1.00 0.00 H new ATOM 0 HB3 GLN A 141 14.522 -4.070 -4.404 1.00 0.00 H new ATOM 0 HG2 GLN A 141 13.430 -5.010 -6.466 1.00 0.00 H new ATOM 0 HG3 GLN A 141 12.020 -5.398 -5.501 1.00 0.00 H new ATOM 0 HE21 GLN A 141 13.959 -2.827 -6.926 1.00 0.00 H new ATOM 0 HE22 GLN A 141 12.774 -1.535 -6.712 1.00 0.00 H new ATOM 890 N GLU A 142 15.258 -7.243 -2.160 1.00 0.00 N ATOM 891 CA GLU A 142 16.111 -7.342 -0.982 1.00 0.00 C ATOM 892 C GLU A 142 15.999 -8.722 -0.342 1.00 0.00 C ATOM 893 O GLU A 142 15.127 -8.898 0.535 1.00 0.00 O ATOM 894 CB GLU A 142 15.744 -6.263 0.040 1.00 0.00 C ATOM 895 CG GLU A 142 16.628 -6.275 1.276 1.00 0.00 C ATOM 896 CD GLU A 142 16.249 -5.200 2.275 1.00 0.00 C ATOM 897 OE1 GLU A 142 16.793 -4.080 2.174 1.00 0.00 O ATOM 898 OE2 GLU A 142 15.412 -5.478 3.158 1.00 0.00 O ATOM 899 OXT GLU A 142 16.784 -9.615 -0.725 1.00 0.00 O ATOM 0 H GLU A 142 14.631 -8.036 -2.295 1.00 0.00 H new ATOM 0 HA GLU A 142 17.142 -7.191 -1.302 1.00 0.00 H new ATOM 0 HB2 GLU A 142 15.811 -5.285 -0.436 1.00 0.00 H new ATOM 0 HB3 GLU A 142 14.706 -6.399 0.344 1.00 0.00 H new ATOM 0 HG2 GLU A 142 16.562 -7.251 1.756 1.00 0.00 H new ATOM 0 HG3 GLU A 142 17.667 -6.137 0.976 1.00 0.00 H new TER 906 GLU A 142 HETATM 907 ZN ZN A 292 -3.260 -6.912 2.289 1.00 0.00 ZN HETATM 908 ZN ZN A 308 5.094 -3.340 -5.450 1.00 0.00 ZN