USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 545 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 TYR OH : rot 69:sc= 0.733 USER MOD Set 1.2: A 131 GLN :FLIP amide:sc= -0.158 F(o=-0.35,f=0.57) USER MOD Set 2.1: A 111 CYS SG : rot -158:sc= -0.864 USER MOD Set 2.2: A 115 CYS SG : rot 126:sc= 0.153 USER MOD Set 2.3: A 125 CYS SG : rot -148:sc= 1.14 USER MOD Set 2.4: A 128 CYS SG : rot 136:sc= -2.47! USER MOD Set 3.1: A 101 THR OG1 : rot 76:sc= 0.182 USER MOD Set 3.2: A 108 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 74 CYS SG : rot 162:sc= -0.936 USER MOD Set 4.2: A 77 CYS SG : rot -46:sc= 0.352 USER MOD Set 4.3: A 91 CYS SG : rot -131:sc= 1.46 USER MOD Set 4.4: A 94 CYS SG : rot 81:sc= -2.21 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -140:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot -122:sc= -0.1 USER MOD Single : A 89 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-2.8!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 159:sc= -0.048 (180deg=-0.395) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 69:sc= 0.285 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -0.26 K(o=-0.26,f=-3.5!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 ASN : amide:sc= -0.654 K(o=-0.65,f=-3.2!) USER MOD Single : A 123 ASN : amide:sc= -0.141 K(o=-0.14,f=-2.4!) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= -0.138 (180deg=-0.138) USER MOD Single : A 126 GLN : amide:sc= -0.503 K(o=-0.5,f=-3.4!) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 CYS SG : rot -96:sc= 0.0714 USER MOD Single : A 138 MET CE :methyl -156:sc= -0.747 (180deg=-2.6!) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 140 HIS : no HE2:sc= -4.72! C(o=-4.7!,f=-9.9!) USER MOD ----------------------------------------------------------------- ATOM 83 N GLU A 73 6.247 10.833 -7.826 1.00 0.00 N ATOM 84 CA GLU A 73 6.442 9.420 -8.128 1.00 0.00 C ATOM 85 C GLU A 73 5.524 8.550 -7.274 1.00 0.00 C ATOM 86 O GLU A 73 5.108 8.948 -6.185 1.00 0.00 O ATOM 87 CB GLU A 73 7.901 9.022 -7.896 1.00 0.00 C ATOM 88 CG GLU A 73 8.741 9.027 -9.162 1.00 0.00 C ATOM 89 CD GLU A 73 10.193 9.374 -8.897 1.00 0.00 C ATOM 90 OE1 GLU A 73 10.463 10.083 -7.905 1.00 0.00 O ATOM 91 OE2 GLU A 73 11.060 8.936 -9.682 1.00 0.00 O ATOM 0 HA GLU A 73 6.193 9.261 -9.177 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.345 9.706 -7.173 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.931 8.026 -7.454 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.686 8.046 -9.634 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.323 9.744 -9.868 1.00 0.00 H new ATOM 98 N CYS A 74 5.212 7.359 -7.776 1.00 0.00 N ATOM 99 CA CYS A 74 4.344 6.432 -7.061 1.00 0.00 C ATOM 100 C CYS A 74 5.008 5.944 -5.777 1.00 0.00 C ATOM 101 O CYS A 74 6.229 5.803 -5.712 1.00 0.00 O ATOM 102 CB CYS A 74 3.994 5.238 -7.953 1.00 0.00 C ATOM 103 SG CYS A 74 2.839 4.054 -7.191 1.00 0.00 S ATOM 0 H CYS A 74 5.548 7.014 -8.675 1.00 0.00 H new ATOM 0 HA CYS A 74 3.428 6.961 -6.797 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.559 5.607 -8.882 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.913 4.714 -8.218 1.00 0.00 H new ATOM 0 HG CYS A 74 2.309 3.309 -8.115 1.00 0.00 H new ATOM 108 N ARG A 75 4.195 5.688 -4.757 1.00 0.00 N ATOM 109 CA ARG A 75 4.703 5.217 -3.475 1.00 0.00 C ATOM 110 C ARG A 75 4.757 3.692 -3.438 1.00 0.00 C ATOM 111 O ARG A 75 5.547 3.106 -2.698 1.00 0.00 O ATOM 112 CB ARG A 75 3.826 5.734 -2.333 1.00 0.00 C ATOM 113 CG ARG A 75 3.892 7.241 -2.150 1.00 0.00 C ATOM 114 CD ARG A 75 5.015 7.639 -1.204 1.00 0.00 C ATOM 115 NE ARG A 75 5.283 9.074 -1.245 1.00 0.00 N ATOM 116 CZ ARG A 75 6.130 9.687 -0.425 1.00 0.00 C ATOM 117 NH1 ARG A 75 6.787 8.993 0.493 1.00 0.00 N ATOM 118 NH2 ARG A 75 6.320 10.996 -0.525 1.00 0.00 N ATOM 0 H ARG A 75 3.182 5.799 -4.794 1.00 0.00 H new ATOM 0 HA ARG A 75 5.715 5.603 -3.351 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.792 5.444 -2.520 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.130 5.250 -1.405 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.043 7.720 -3.117 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.941 7.603 -1.760 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.752 7.348 -0.187 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.921 7.093 -1.467 1.00 0.00 H new ATOM 0 HE ARG A 75 4.793 9.636 -1.941 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.643 7.986 0.571 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.437 9.466 1.121 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.816 11.532 -1.231 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.970 11.467 0.104 1.00 0.00 H new ATOM 132 N VAL A 76 3.911 3.055 -4.241 1.00 0.00 N ATOM 133 CA VAL A 76 3.862 1.599 -4.302 1.00 0.00 C ATOM 134 C VAL A 76 5.059 1.041 -5.063 1.00 0.00 C ATOM 135 O VAL A 76 5.956 0.435 -4.476 1.00 0.00 O ATOM 136 CB VAL A 76 2.566 1.108 -4.972 1.00 0.00 C ATOM 137 CG1 VAL A 76 2.626 -0.392 -5.216 1.00 0.00 C ATOM 138 CG2 VAL A 76 1.357 1.471 -4.123 1.00 0.00 C ATOM 0 H VAL A 76 3.249 3.525 -4.859 1.00 0.00 H new ATOM 0 HA VAL A 76 3.888 1.238 -3.274 1.00 0.00 H new ATOM 0 HB VAL A 76 2.466 1.605 -5.937 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.701 -0.721 -5.690 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.469 -0.621 -5.868 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.751 -0.911 -4.265 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.450 1.116 -4.612 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.447 1.004 -3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.307 2.553 -4.006 1.00 0.00 H new ATOM 148 N CYS A 77 5.067 1.248 -6.376 1.00 0.00 N ATOM 149 CA CYS A 77 6.153 0.766 -7.220 1.00 0.00 C ATOM 150 C CYS A 77 7.291 1.781 -7.276 1.00 0.00 C ATOM 151 O CYS A 77 8.457 1.433 -7.100 1.00 0.00 O ATOM 152 CB CYS A 77 5.640 0.480 -8.633 1.00 0.00 C ATOM 153 SG CYS A 77 5.070 1.959 -9.531 1.00 0.00 S ATOM 0 H CYS A 77 4.333 1.747 -6.878 1.00 0.00 H new ATOM 0 HA CYS A 77 6.535 -0.158 -6.785 1.00 0.00 H new ATOM 0 HB2 CYS A 77 6.435 0.003 -9.207 1.00 0.00 H new ATOM 0 HB3 CYS A 77 4.819 -0.234 -8.572 1.00 0.00 H new ATOM 0 HG CYS A 77 4.314 2.675 -8.752 1.00 0.00 H new ATOM 158 N GLY A 78 6.941 3.040 -7.523 1.00 0.00 N ATOM 159 CA GLY A 78 7.943 4.087 -7.598 1.00 0.00 C ATOM 160 C GLY A 78 7.843 4.896 -8.877 1.00 0.00 C ATOM 161 O GLY A 78 8.107 6.098 -8.881 1.00 0.00 O ATOM 0 H GLY A 78 5.982 3.353 -7.672 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.833 4.752 -6.742 1.00 0.00 H new ATOM 0 HA3 GLY A 78 8.935 3.641 -7.530 1.00 0.00 H new ATOM 165 N ASP A 79 7.463 4.235 -9.964 1.00 0.00 N ATOM 166 CA ASP A 79 7.329 4.899 -11.255 1.00 0.00 C ATOM 167 C ASP A 79 6.515 6.183 -11.124 1.00 0.00 C ATOM 168 O ASP A 79 5.649 6.296 -10.256 1.00 0.00 O ATOM 169 CB ASP A 79 6.668 3.963 -12.269 1.00 0.00 C ATOM 170 CG ASP A 79 6.444 4.630 -13.612 1.00 0.00 C ATOM 171 OD1 ASP A 79 7.415 5.185 -14.167 1.00 0.00 O ATOM 172 OD2 ASP A 79 5.298 4.596 -14.108 1.00 0.00 O ATOM 0 H ASP A 79 7.242 3.239 -9.977 1.00 0.00 H new ATOM 0 HA ASP A 79 8.328 5.157 -11.608 1.00 0.00 H new ATOM 0 HB2 ASP A 79 7.292 3.080 -12.405 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.712 3.620 -11.873 1.00 0.00 H new ATOM 177 N LYS A 80 6.801 7.149 -11.990 1.00 0.00 N ATOM 178 CA LYS A 80 6.097 8.426 -11.972 1.00 0.00 C ATOM 179 C LYS A 80 4.640 8.238 -11.558 1.00 0.00 C ATOM 180 O LYS A 80 3.975 7.303 -12.002 1.00 0.00 O ATOM 181 CB LYS A 80 6.165 9.089 -13.349 1.00 0.00 C ATOM 182 CG LYS A 80 5.879 10.581 -13.322 1.00 0.00 C ATOM 183 CD LYS A 80 5.248 11.052 -14.621 1.00 0.00 C ATOM 184 CE LYS A 80 5.613 12.497 -14.926 1.00 0.00 C ATOM 185 NZ LYS A 80 4.749 13.074 -15.993 1.00 0.00 N ATOM 0 H LYS A 80 7.516 7.072 -12.714 1.00 0.00 H new ATOM 0 HA LYS A 80 6.584 9.071 -11.241 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.156 8.925 -13.773 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.450 8.603 -14.013 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.214 10.810 -12.490 1.00 0.00 H new ATOM 0 HG3 LYS A 80 6.806 11.127 -13.148 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.577 10.412 -15.440 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.164 10.955 -14.556 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.518 13.095 -14.019 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.657 12.550 -15.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.029 14.059 -16.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.858 12.519 -16.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.755 13.047 -15.688 1.00 0.00 H new ATOM 199 N ALA A 81 4.151 9.135 -10.708 1.00 0.00 N ATOM 200 CA ALA A 81 2.773 9.070 -10.238 1.00 0.00 C ATOM 201 C ALA A 81 1.826 9.751 -11.219 1.00 0.00 C ATOM 202 O ALA A 81 2.183 10.743 -11.855 1.00 0.00 O ATOM 203 CB ALA A 81 2.655 9.704 -8.860 1.00 0.00 C ATOM 0 H ALA A 81 4.689 9.915 -10.331 1.00 0.00 H new ATOM 0 HA ALA A 81 2.488 8.020 -10.168 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.620 9.648 -8.521 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.296 9.171 -8.158 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.964 10.748 -8.912 1.00 0.00 H new ATOM 209 N SER A 82 0.617 9.212 -11.338 1.00 0.00 N ATOM 210 CA SER A 82 -0.381 9.766 -12.246 1.00 0.00 C ATOM 211 C SER A 82 -1.292 10.750 -11.518 1.00 0.00 C ATOM 212 O SER A 82 -1.546 11.852 -12.002 1.00 0.00 O ATOM 213 CB SER A 82 -1.216 8.643 -12.866 1.00 0.00 C ATOM 214 OG SER A 82 -0.478 7.944 -13.853 1.00 0.00 O ATOM 0 H SER A 82 0.305 8.392 -10.817 1.00 0.00 H new ATOM 0 HA SER A 82 0.142 10.301 -13.039 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.535 7.950 -12.087 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.119 9.060 -13.311 1.00 0.00 H new ATOM 0 HG SER A 82 -1.062 7.735 -14.612 1.00 0.00 H new ATOM 220 N GLY A 83 -1.779 10.342 -10.350 1.00 0.00 N ATOM 221 CA GLY A 83 -2.656 11.199 -9.573 1.00 0.00 C ATOM 222 C GLY A 83 -2.611 10.883 -8.091 1.00 0.00 C ATOM 223 O GLY A 83 -1.831 10.037 -7.653 1.00 0.00 O ATOM 0 H GLY A 83 -1.582 9.434 -9.928 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.373 12.240 -9.728 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.679 11.090 -9.934 1.00 0.00 H new ATOM 227 N PHE A 84 -3.447 11.566 -7.317 1.00 0.00 N ATOM 228 CA PHE A 84 -3.498 11.356 -5.875 1.00 0.00 C ATOM 229 C PHE A 84 -4.721 10.530 -5.488 1.00 0.00 C ATOM 230 O PHE A 84 -5.788 11.075 -5.206 1.00 0.00 O ATOM 231 CB PHE A 84 -3.524 12.700 -5.143 1.00 0.00 C ATOM 232 CG PHE A 84 -3.017 12.623 -3.731 1.00 0.00 C ATOM 233 CD1 PHE A 84 -1.837 11.958 -3.439 1.00 0.00 C ATOM 234 CD2 PHE A 84 -3.721 13.217 -2.695 1.00 0.00 C ATOM 235 CE1 PHE A 84 -1.370 11.886 -2.141 1.00 0.00 C ATOM 236 CE2 PHE A 84 -3.258 13.148 -1.395 1.00 0.00 C ATOM 237 CZ PHE A 84 -2.080 12.482 -1.117 1.00 0.00 C ATOM 0 H PHE A 84 -4.099 12.270 -7.664 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.603 10.807 -5.581 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.922 13.419 -5.698 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.546 13.080 -5.134 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.276 11.491 -4.235 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.642 13.740 -2.906 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.449 11.364 -1.927 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.817 13.614 -0.597 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.715 12.428 -0.102 1.00 0.00 H new ATOM 247 N HIS A 85 -4.557 9.211 -5.477 1.00 0.00 N ATOM 248 CA HIS A 85 -5.647 8.308 -5.125 1.00 0.00 C ATOM 249 C HIS A 85 -5.381 7.632 -3.783 1.00 0.00 C ATOM 250 O HIS A 85 -4.232 7.365 -3.428 1.00 0.00 O ATOM 251 CB HIS A 85 -5.833 7.250 -6.213 1.00 0.00 C ATOM 252 CG HIS A 85 -5.675 7.787 -7.603 1.00 0.00 C ATOM 253 ND1 HIS A 85 -6.694 8.415 -8.287 1.00 0.00 N ATOM 254 CD2 HIS A 85 -4.608 7.787 -8.435 1.00 0.00 C ATOM 255 CE1 HIS A 85 -6.261 8.778 -9.481 1.00 0.00 C ATOM 256 NE2 HIS A 85 -4.998 8.408 -9.596 1.00 0.00 N ATOM 0 H HIS A 85 -3.680 8.744 -5.708 1.00 0.00 H new ATOM 0 HA HIS A 85 -6.560 8.897 -5.041 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -5.110 6.449 -6.057 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -6.824 6.808 -6.113 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -3.632 7.375 -8.225 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -6.841 9.290 -10.235 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -4.408 8.559 -10.414 1.00 0.00 H new ATOM 264 N TYR A 86 -6.448 7.360 -3.041 1.00 0.00 N ATOM 265 CA TYR A 86 -6.330 6.719 -1.737 1.00 0.00 C ATOM 266 C TYR A 86 -5.448 7.542 -0.803 1.00 0.00 C ATOM 267 O TYR A 86 -4.770 6.999 0.069 1.00 0.00 O ATOM 268 CB TYR A 86 -5.755 5.309 -1.889 1.00 0.00 C ATOM 269 CG TYR A 86 -6.276 4.570 -3.100 1.00 0.00 C ATOM 270 CD1 TYR A 86 -7.479 3.875 -3.049 1.00 0.00 C ATOM 271 CD2 TYR A 86 -5.567 4.565 -4.294 1.00 0.00 C ATOM 272 CE1 TYR A 86 -7.959 3.198 -4.153 1.00 0.00 C ATOM 273 CE2 TYR A 86 -6.040 3.891 -5.404 1.00 0.00 C ATOM 274 CZ TYR A 86 -7.236 3.209 -5.328 1.00 0.00 C ATOM 275 OH TYR A 86 -7.711 2.535 -6.430 1.00 0.00 O ATOM 0 H TYR A 86 -7.405 7.574 -3.320 1.00 0.00 H new ATOM 0 HA TYR A 86 -7.327 6.653 -1.301 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.669 5.374 -1.953 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.988 4.732 -0.994 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.048 3.864 -2.131 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.629 5.097 -4.356 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.895 2.663 -4.097 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.476 3.898 -6.325 1.00 0.00 H new ATOM 0 HH TYR A 86 -7.045 1.878 -6.724 1.00 0.00 H new ATOM 285 N GLY A 87 -5.462 8.858 -0.993 1.00 0.00 N ATOM 286 CA GLY A 87 -4.661 9.737 -0.161 1.00 0.00 C ATOM 287 C GLY A 87 -3.178 9.438 -0.263 1.00 0.00 C ATOM 288 O GLY A 87 -2.385 9.915 0.548 1.00 0.00 O ATOM 0 H GLY A 87 -6.014 9.331 -1.708 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.841 10.772 -0.452 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.978 9.638 0.877 1.00 0.00 H new ATOM 292 N VAL A 88 -2.803 8.645 -1.261 1.00 0.00 N ATOM 293 CA VAL A 88 -1.406 8.282 -1.465 1.00 0.00 C ATOM 294 C VAL A 88 -1.011 8.420 -2.931 1.00 0.00 C ATOM 295 O VAL A 88 -1.718 7.950 -3.823 1.00 0.00 O ATOM 296 CB VAL A 88 -1.127 6.839 -1.004 1.00 0.00 C ATOM 297 CG1 VAL A 88 -1.802 5.842 -1.932 1.00 0.00 C ATOM 298 CG2 VAL A 88 0.371 6.584 -0.932 1.00 0.00 C ATOM 0 H VAL A 88 -3.447 8.242 -1.941 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.810 8.969 -0.864 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.543 6.708 -0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.594 4.828 -1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.879 6.012 -1.928 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.418 5.970 -2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.550 5.560 -0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.813 6.733 -1.917 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.824 7.276 -0.223 1.00 0.00 H new ATOM 308 N HIS A 89 0.124 9.068 -3.175 1.00 0.00 N ATOM 309 CA HIS A 89 0.614 9.268 -4.534 1.00 0.00 C ATOM 310 C HIS A 89 0.901 7.931 -5.210 1.00 0.00 C ATOM 311 O HIS A 89 2.006 7.398 -5.109 1.00 0.00 O ATOM 312 CB HIS A 89 1.879 10.128 -4.521 1.00 0.00 C ATOM 313 CG HIS A 89 1.602 11.600 -4.520 1.00 0.00 C ATOM 314 ND1 HIS A 89 1.350 12.318 -3.370 1.00 0.00 N ATOM 315 CD2 HIS A 89 1.540 12.490 -5.539 1.00 0.00 C ATOM 316 CE1 HIS A 89 1.143 13.585 -3.681 1.00 0.00 C ATOM 317 NE2 HIS A 89 1.254 13.716 -4.991 1.00 0.00 N ATOM 0 H HIS A 89 0.721 9.463 -2.449 1.00 0.00 H new ATOM 0 HA HIS A 89 -0.161 9.783 -5.101 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.470 9.877 -3.640 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.485 9.881 -5.393 1.00 0.00 H new ATOM 0 HD2 HIS A 89 1.688 12.275 -6.587 1.00 0.00 H new ATOM 0 HE1 HIS A 89 0.921 14.379 -2.983 1.00 0.00 H new ATOM 0 HE2 HIS A 89 1.145 14.587 -5.511 1.00 0.00 H new ATOM 325 N ALA A 90 -0.101 7.394 -5.897 1.00 0.00 N ATOM 326 CA ALA A 90 0.044 6.120 -6.590 1.00 0.00 C ATOM 327 C ALA A 90 -0.108 6.294 -8.097 1.00 0.00 C ATOM 328 O ALA A 90 -0.599 7.321 -8.567 1.00 0.00 O ATOM 329 CB ALA A 90 -0.973 5.116 -6.068 1.00 0.00 C ATOM 0 H ALA A 90 -1.023 7.821 -5.989 1.00 0.00 H new ATOM 0 HA ALA A 90 1.047 5.741 -6.394 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.853 4.169 -6.595 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.816 4.960 -5.001 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.980 5.498 -6.234 1.00 0.00 H new ATOM 335 N CYS A 91 0.316 5.285 -8.851 1.00 0.00 N ATOM 336 CA CYS A 91 0.228 5.327 -10.306 1.00 0.00 C ATOM 337 C CYS A 91 -0.938 4.479 -10.805 1.00 0.00 C ATOM 338 O CYS A 91 -1.416 3.588 -10.103 1.00 0.00 O ATOM 339 CB CYS A 91 1.535 4.835 -10.931 1.00 0.00 C ATOM 340 SG CYS A 91 1.810 3.042 -10.763 1.00 0.00 S ATOM 0 H CYS A 91 0.724 4.428 -8.478 1.00 0.00 H new ATOM 0 HA CYS A 91 0.056 6.361 -10.605 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.540 5.095 -11.990 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.368 5.365 -10.469 1.00 0.00 H new ATOM 0 HG CYS A 91 3.012 2.827 -10.317 1.00 0.00 H new ATOM 345 N GLU A 92 -1.391 4.763 -12.022 1.00 0.00 N ATOM 346 CA GLU A 92 -2.502 4.027 -12.614 1.00 0.00 C ATOM 347 C GLU A 92 -2.318 2.523 -12.428 1.00 0.00 C ATOM 348 O GLU A 92 -3.239 1.821 -12.011 1.00 0.00 O ATOM 349 CB GLU A 92 -2.625 4.356 -14.103 1.00 0.00 C ATOM 350 CG GLU A 92 -3.450 5.600 -14.385 1.00 0.00 C ATOM 351 CD GLU A 92 -3.949 5.658 -15.816 1.00 0.00 C ATOM 352 OE1 GLU A 92 -4.911 4.930 -16.138 1.00 0.00 O ATOM 353 OE2 GLU A 92 -3.377 6.430 -16.614 1.00 0.00 O ATOM 0 H GLU A 92 -1.006 5.497 -12.617 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.417 4.330 -12.106 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.627 4.490 -14.521 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.075 3.507 -14.618 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.302 5.628 -13.706 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.848 6.485 -14.178 1.00 0.00 H new ATOM 360 N GLY A 93 -1.122 2.035 -12.742 1.00 0.00 N ATOM 361 CA GLY A 93 -0.839 0.619 -12.604 1.00 0.00 C ATOM 362 C GLY A 93 -1.219 0.082 -11.238 1.00 0.00 C ATOM 363 O GLY A 93 -2.158 -0.705 -11.111 1.00 0.00 O ATOM 0 H GLY A 93 -0.344 2.595 -13.090 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.381 0.067 -13.372 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.223 0.445 -12.777 1.00 0.00 H new ATOM 367 N CYS A 94 -0.487 0.506 -10.213 1.00 0.00 N ATOM 368 CA CYS A 94 -0.750 0.062 -8.850 1.00 0.00 C ATOM 369 C CYS A 94 -2.198 0.339 -8.457 1.00 0.00 C ATOM 370 O CYS A 94 -2.891 -0.535 -7.937 1.00 0.00 O ATOM 371 CB CYS A 94 0.198 0.760 -7.872 1.00 0.00 C ATOM 372 SG CYS A 94 1.963 0.449 -8.198 1.00 0.00 S ATOM 0 H CYS A 94 0.293 1.157 -10.301 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.580 -1.014 -8.806 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.016 1.834 -7.910 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -0.037 0.433 -6.859 1.00 0.00 H new ATOM 0 HG CYS A 94 2.374 1.237 -9.147 1.00 0.00 H new ATOM 377 N LYS A 95 -2.650 1.563 -8.710 1.00 0.00 N ATOM 378 CA LYS A 95 -4.016 1.957 -8.386 1.00 0.00 C ATOM 379 C LYS A 95 -4.991 0.817 -8.659 1.00 0.00 C ATOM 380 O LYS A 95 -5.603 0.276 -7.739 1.00 0.00 O ATOM 381 CB LYS A 95 -4.418 3.192 -9.195 1.00 0.00 C ATOM 382 CG LYS A 95 -5.920 3.363 -9.338 1.00 0.00 C ATOM 383 CD LYS A 95 -6.270 4.677 -10.015 1.00 0.00 C ATOM 384 CE LYS A 95 -7.703 4.677 -10.526 1.00 0.00 C ATOM 385 NZ LYS A 95 -7.797 4.147 -11.915 1.00 0.00 N ATOM 0 H LYS A 95 -2.090 2.300 -9.139 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.056 2.198 -7.324 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.004 4.080 -8.717 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.972 3.127 -10.187 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.328 2.534 -9.917 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -6.387 3.324 -8.354 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -6.134 5.498 -9.311 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.586 4.853 -10.846 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -8.324 4.074 -9.864 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -8.099 5.692 -10.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -8.789 4.164 -12.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -7.224 4.738 -12.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -7.443 3.169 -11.938 1.00 0.00 H new ATOM 399 N GLY A 96 -5.130 0.455 -9.931 1.00 0.00 N ATOM 400 CA GLY A 96 -6.031 -0.620 -10.303 1.00 0.00 C ATOM 401 C GLY A 96 -5.849 -1.853 -9.440 1.00 0.00 C ATOM 402 O GLY A 96 -6.779 -2.285 -8.759 1.00 0.00 O ATOM 0 H GLY A 96 -4.634 0.887 -10.711 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -7.061 -0.272 -10.221 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.866 -0.884 -11.348 1.00 0.00 H new ATOM 406 N PHE A 97 -4.649 -2.421 -9.469 1.00 0.00 N ATOM 407 CA PHE A 97 -4.349 -3.614 -8.686 1.00 0.00 C ATOM 408 C PHE A 97 -5.029 -3.554 -7.321 1.00 0.00 C ATOM 409 O PHE A 97 -5.848 -4.409 -6.985 1.00 0.00 O ATOM 410 CB PHE A 97 -2.837 -3.767 -8.508 1.00 0.00 C ATOM 411 CG PHE A 97 -2.454 -4.806 -7.494 1.00 0.00 C ATOM 412 CD1 PHE A 97 -2.480 -4.514 -6.139 1.00 0.00 C ATOM 413 CD2 PHE A 97 -2.067 -6.075 -7.894 1.00 0.00 C ATOM 414 CE1 PHE A 97 -2.129 -5.468 -5.203 1.00 0.00 C ATOM 415 CE2 PHE A 97 -1.715 -7.033 -6.962 1.00 0.00 C ATOM 416 CZ PHE A 97 -1.745 -6.728 -5.615 1.00 0.00 C ATOM 0 H PHE A 97 -3.868 -2.075 -10.026 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.734 -4.479 -9.227 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -2.391 -4.026 -9.468 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.416 -2.807 -8.210 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.778 -3.529 -5.811 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.040 -6.318 -8.946 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.155 -5.228 -4.150 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -1.417 -8.019 -7.286 1.00 0.00 H new ATOM 0 HZ PHE A 97 -1.468 -7.475 -4.885 1.00 0.00 H new ATOM 426 N PHE A 98 -4.682 -2.538 -6.538 1.00 0.00 N ATOM 427 CA PHE A 98 -5.257 -2.366 -5.209 1.00 0.00 C ATOM 428 C PHE A 98 -6.768 -2.578 -5.238 1.00 0.00 C ATOM 429 O PHE A 98 -7.279 -3.551 -4.684 1.00 0.00 O ATOM 430 CB PHE A 98 -4.937 -0.970 -4.669 1.00 0.00 C ATOM 431 CG PHE A 98 -5.360 -0.769 -3.242 1.00 0.00 C ATOM 432 CD1 PHE A 98 -4.719 -1.441 -2.214 1.00 0.00 C ATOM 433 CD2 PHE A 98 -6.399 0.093 -2.928 1.00 0.00 C ATOM 434 CE1 PHE A 98 -5.105 -1.258 -0.899 1.00 0.00 C ATOM 435 CE2 PHE A 98 -6.789 0.281 -1.616 1.00 0.00 C ATOM 436 CZ PHE A 98 -6.143 -0.396 -0.600 1.00 0.00 C ATOM 0 H PHE A 98 -4.005 -1.821 -6.801 1.00 0.00 H new ATOM 0 HA PHE A 98 -4.816 -3.114 -4.550 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.864 -0.795 -4.750 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -5.430 -0.225 -5.294 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.908 -2.116 -2.443 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.910 0.624 -3.718 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.596 -1.788 -0.107 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -7.599 0.957 -1.385 1.00 0.00 H new ATOM 0 HZ PHE A 98 -6.448 -0.252 0.426 1.00 0.00 H new ATOM 446 N ARG A 99 -7.476 -1.660 -5.889 1.00 0.00 N ATOM 447 CA ARG A 99 -8.928 -1.745 -5.990 1.00 0.00 C ATOM 448 C ARG A 99 -9.364 -3.155 -6.376 1.00 0.00 C ATOM 449 O ARG A 99 -10.124 -3.800 -5.653 1.00 0.00 O ATOM 450 CB ARG A 99 -9.449 -0.739 -7.017 1.00 0.00 C ATOM 451 CG ARG A 99 -10.965 -0.682 -7.098 1.00 0.00 C ATOM 452 CD ARG A 99 -11.435 0.526 -7.894 1.00 0.00 C ATOM 453 NE ARG A 99 -11.617 1.702 -7.047 1.00 0.00 N ATOM 454 CZ ARG A 99 -12.379 2.738 -7.381 1.00 0.00 C ATOM 455 NH1 ARG A 99 -13.028 2.742 -8.537 1.00 0.00 N ATOM 456 NH2 ARG A 99 -12.494 3.772 -6.557 1.00 0.00 N ATOM 0 H ARG A 99 -7.068 -0.849 -6.354 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.350 -1.507 -5.013 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -9.069 0.252 -6.768 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.050 -0.995 -7.999 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.340 -1.594 -7.563 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.383 -0.642 -6.092 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -10.709 0.751 -8.675 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -12.375 0.289 -8.392 1.00 0.00 H new ATOM 0 HE ARG A 99 -11.133 1.729 -6.150 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.943 1.949 -9.172 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -13.612 3.538 -8.791 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -11.997 3.772 -5.666 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -13.079 4.567 -6.815 1.00 0.00 H new ATOM 470 N ARG A 100 -8.879 -3.627 -7.519 1.00 0.00 N ATOM 471 CA ARG A 100 -9.220 -4.960 -8.002 1.00 0.00 C ATOM 472 C ARG A 100 -9.206 -5.972 -6.860 1.00 0.00 C ATOM 473 O ARG A 100 -10.208 -6.636 -6.592 1.00 0.00 O ATOM 474 CB ARG A 100 -8.243 -5.395 -9.096 1.00 0.00 C ATOM 475 CG ARG A 100 -8.420 -6.840 -9.531 1.00 0.00 C ATOM 476 CD ARG A 100 -7.791 -7.094 -10.892 1.00 0.00 C ATOM 477 NE ARG A 100 -8.453 -8.181 -11.608 1.00 0.00 N ATOM 478 CZ ARG A 100 -7.888 -8.857 -12.602 1.00 0.00 C ATOM 479 NH1 ARG A 100 -6.658 -8.559 -12.996 1.00 0.00 N ATOM 480 NH2 ARG A 100 -8.555 -9.834 -13.204 1.00 0.00 N ATOM 0 H ARG A 100 -8.248 -3.106 -8.129 1.00 0.00 H new ATOM 0 HA ARG A 100 -10.227 -4.922 -8.418 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -8.368 -4.746 -9.962 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.223 -5.255 -8.737 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -7.969 -7.501 -8.791 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.482 -7.082 -9.569 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -7.840 -6.184 -11.489 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -6.736 -7.334 -10.764 1.00 0.00 H new ATOM 0 HE ARG A 100 -9.401 -8.435 -11.330 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.143 -7.809 -12.536 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -6.227 -9.080 -13.760 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.502 -10.066 -12.903 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -8.121 -10.353 -13.967 1.00 0.00 H new ATOM 494 N THR A 101 -8.063 -6.086 -6.191 1.00 0.00 N ATOM 495 CA THR A 101 -7.918 -7.017 -5.080 1.00 0.00 C ATOM 496 C THR A 101 -9.014 -6.809 -4.040 1.00 0.00 C ATOM 497 O THR A 101 -9.429 -7.752 -3.365 1.00 0.00 O ATOM 498 CB THR A 101 -6.545 -6.869 -4.398 1.00 0.00 C ATOM 499 OG1 THR A 101 -5.499 -7.045 -5.360 1.00 0.00 O ATOM 500 CG2 THR A 101 -6.385 -7.884 -3.276 1.00 0.00 C ATOM 0 H THR A 101 -7.224 -5.545 -6.400 1.00 0.00 H new ATOM 0 HA THR A 101 -8.002 -8.021 -5.497 1.00 0.00 H new ATOM 0 HB THR A 101 -6.482 -5.868 -3.972 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.426 -6.241 -5.915 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.408 -7.760 -2.810 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.165 -7.729 -2.531 1.00 0.00 H new ATOM 0 HG23 THR A 101 -6.467 -8.892 -3.683 1.00 0.00 H new ATOM 508 N ILE A 102 -9.478 -5.570 -3.918 1.00 0.00 N ATOM 509 CA ILE A 102 -10.528 -5.240 -2.962 1.00 0.00 C ATOM 510 C ILE A 102 -11.893 -5.695 -3.465 1.00 0.00 C ATOM 511 O ILE A 102 -12.531 -6.560 -2.864 1.00 0.00 O ATOM 512 CB ILE A 102 -10.575 -3.727 -2.679 1.00 0.00 C ATOM 513 CG1 ILE A 102 -9.241 -3.252 -2.099 1.00 0.00 C ATOM 514 CG2 ILE A 102 -11.718 -3.402 -1.728 1.00 0.00 C ATOM 515 CD1 ILE A 102 -8.900 -3.889 -0.770 1.00 0.00 C ATOM 0 H ILE A 102 -9.144 -4.779 -4.468 1.00 0.00 H new ATOM 0 HA ILE A 102 -10.291 -5.767 -2.038 1.00 0.00 H new ATOM 0 HB ILE A 102 -10.748 -3.202 -3.618 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -8.446 -3.470 -2.812 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -9.272 -2.169 -1.977 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -11.739 -2.329 -1.537 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -12.663 -3.709 -2.176 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -11.572 -3.935 -0.788 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -7.942 -3.506 -0.418 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -9.676 -3.650 -0.042 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -8.836 -4.970 -0.891 1.00 0.00 H new ATOM 527 N ARG A 103 -12.335 -5.108 -4.572 1.00 0.00 N ATOM 528 CA ARG A 103 -13.625 -5.453 -5.158 1.00 0.00 C ATOM 529 C ARG A 103 -13.732 -6.957 -5.390 1.00 0.00 C ATOM 530 O ARG A 103 -14.829 -7.512 -5.435 1.00 0.00 O ATOM 531 CB ARG A 103 -13.826 -4.707 -6.478 1.00 0.00 C ATOM 532 CG ARG A 103 -12.808 -5.073 -7.546 1.00 0.00 C ATOM 533 CD ARG A 103 -13.202 -4.518 -8.905 1.00 0.00 C ATOM 534 NE ARG A 103 -12.385 -5.073 -9.981 1.00 0.00 N ATOM 535 CZ ARG A 103 -12.352 -4.574 -11.211 1.00 0.00 C ATOM 536 NH1 ARG A 103 -13.087 -3.515 -11.520 1.00 0.00 N ATOM 537 NH2 ARG A 103 -11.583 -5.134 -12.136 1.00 0.00 N ATOM 0 H ARG A 103 -11.819 -4.391 -5.082 1.00 0.00 H new ATOM 0 HA ARG A 103 -14.405 -5.154 -4.458 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -14.827 -4.917 -6.855 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -13.774 -3.634 -6.291 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -11.829 -4.687 -7.264 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -12.717 -6.157 -7.607 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -14.252 -4.739 -9.096 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -13.101 -3.433 -8.896 1.00 0.00 H new ATOM 0 HE ARG A 103 -11.808 -5.889 -9.776 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -13.680 -3.081 -10.812 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -13.060 -3.134 -12.466 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -11.016 -5.949 -11.903 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -11.559 -4.749 -13.080 1.00 0.00 H new ATOM 551 N MET A 104 -12.584 -7.611 -5.536 1.00 0.00 N ATOM 552 CA MET A 104 -12.549 -9.051 -5.763 1.00 0.00 C ATOM 553 C MET A 104 -12.328 -9.802 -4.454 1.00 0.00 C ATOM 554 O MET A 104 -12.523 -11.016 -4.382 1.00 0.00 O ATOM 555 CB MET A 104 -11.443 -9.405 -6.760 1.00 0.00 C ATOM 556 CG MET A 104 -11.652 -8.799 -8.138 1.00 0.00 C ATOM 557 SD MET A 104 -10.575 -9.529 -9.387 1.00 0.00 S ATOM 558 CE MET A 104 -11.780 -10.299 -10.465 1.00 0.00 C ATOM 0 H MET A 104 -11.666 -7.167 -5.501 1.00 0.00 H new ATOM 0 HA MET A 104 -13.511 -9.352 -6.177 1.00 0.00 H new ATOM 0 HB2 MET A 104 -10.486 -9.066 -6.364 1.00 0.00 H new ATOM 0 HB3 MET A 104 -11.383 -10.489 -6.854 1.00 0.00 H new ATOM 0 HG2 MET A 104 -12.692 -8.934 -8.436 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.471 -7.725 -8.090 1.00 0.00 H new ATOM 0 HE1 MET A 104 -11.267 -10.794 -11.290 1.00 0.00 H new ATOM 0 HE2 MET A 104 -12.355 -11.034 -9.902 1.00 0.00 H new ATOM 0 HE3 MET A 104 -12.453 -9.538 -10.861 1.00 0.00 H new ATOM 568 N LYS A 105 -11.921 -9.074 -3.420 1.00 0.00 N ATOM 569 CA LYS A 105 -11.674 -9.670 -2.113 1.00 0.00 C ATOM 570 C LYS A 105 -10.753 -10.880 -2.231 1.00 0.00 C ATOM 571 O LYS A 105 -10.916 -11.870 -1.516 1.00 0.00 O ATOM 572 CB LYS A 105 -12.996 -10.084 -1.461 1.00 0.00 C ATOM 573 CG LYS A 105 -13.924 -8.916 -1.173 1.00 0.00 C ATOM 574 CD LYS A 105 -14.953 -9.270 -0.113 1.00 0.00 C ATOM 575 CE LYS A 105 -14.348 -9.241 1.283 1.00 0.00 C ATOM 576 NZ LYS A 105 -13.953 -7.863 1.687 1.00 0.00 N ATOM 0 H LYS A 105 -11.755 -8.068 -3.462 1.00 0.00 H new ATOM 0 HA LYS A 105 -11.185 -8.923 -1.488 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.508 -10.791 -2.114 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.784 -10.607 -0.529 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.339 -8.058 -0.841 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.432 -8.619 -2.090 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -15.786 -8.569 -0.164 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.358 -10.262 -0.315 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -15.068 -9.637 1.999 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.475 -9.893 1.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -13.885 -7.811 2.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -13.030 -7.629 1.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.667 -7.185 1.352 1.00 0.00 H new ATOM 590 N LEU A 106 -9.785 -10.794 -3.137 1.00 0.00 N ATOM 591 CA LEU A 106 -8.836 -11.882 -3.348 1.00 0.00 C ATOM 592 C LEU A 106 -7.818 -11.944 -2.214 1.00 0.00 C ATOM 593 O LEU A 106 -7.440 -10.918 -1.650 1.00 0.00 O ATOM 594 CB LEU A 106 -8.116 -11.705 -4.686 1.00 0.00 C ATOM 595 CG LEU A 106 -9.013 -11.526 -5.912 1.00 0.00 C ATOM 596 CD1 LEU A 106 -8.204 -11.017 -7.095 1.00 0.00 C ATOM 597 CD2 LEU A 106 -9.705 -12.836 -6.261 1.00 0.00 C ATOM 0 H LEU A 106 -9.637 -9.983 -3.737 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.393 -12.819 -3.363 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.460 -10.838 -4.611 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.479 -12.574 -4.851 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.777 -10.786 -5.675 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.859 -10.896 -7.958 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.755 -10.057 -6.842 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.418 -11.734 -7.334 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -10.339 -12.691 -7.136 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.955 -13.597 -6.479 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -10.317 -13.160 -5.419 1.00 0.00 H new ATOM 609 N GLU A 107 -7.377 -13.155 -1.887 1.00 0.00 N ATOM 610 CA GLU A 107 -6.401 -13.350 -0.821 1.00 0.00 C ATOM 611 C GLU A 107 -5.090 -13.899 -1.377 1.00 0.00 C ATOM 612 O GLU A 107 -5.016 -14.300 -2.539 1.00 0.00 O ATOM 613 CB GLU A 107 -6.956 -14.301 0.241 1.00 0.00 C ATOM 614 CG GLU A 107 -6.970 -15.757 -0.193 1.00 0.00 C ATOM 615 CD GLU A 107 -8.268 -16.152 -0.870 1.00 0.00 C ATOM 616 OE1 GLU A 107 -8.798 -15.341 -1.657 1.00 0.00 O ATOM 617 OE2 GLU A 107 -8.753 -17.274 -0.612 1.00 0.00 O ATOM 0 H GLU A 107 -7.680 -14.015 -2.345 1.00 0.00 H new ATOM 0 HA GLU A 107 -6.203 -12.381 -0.363 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -6.359 -14.207 1.148 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -7.971 -13.996 0.494 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -6.139 -15.937 -0.876 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -6.811 -16.393 0.678 1.00 0.00 H new ATOM 624 N TYR A 108 -4.060 -13.914 -0.540 1.00 0.00 N ATOM 625 CA TYR A 108 -2.751 -14.412 -0.947 1.00 0.00 C ATOM 626 C TYR A 108 -2.012 -15.033 0.235 1.00 0.00 C ATOM 627 O TYR A 108 -2.387 -14.832 1.389 1.00 0.00 O ATOM 628 CB TYR A 108 -1.916 -13.279 -1.547 1.00 0.00 C ATOM 629 CG TYR A 108 -2.625 -12.520 -2.645 1.00 0.00 C ATOM 630 CD1 TYR A 108 -2.704 -13.035 -3.933 1.00 0.00 C ATOM 631 CD2 TYR A 108 -3.217 -11.288 -2.395 1.00 0.00 C ATOM 632 CE1 TYR A 108 -3.351 -12.344 -4.940 1.00 0.00 C ATOM 633 CE2 TYR A 108 -3.867 -10.591 -3.395 1.00 0.00 C ATOM 634 CZ TYR A 108 -3.931 -11.123 -4.666 1.00 0.00 C ATOM 635 OH TYR A 108 -4.577 -10.433 -5.666 1.00 0.00 O ATOM 0 H TYR A 108 -4.105 -13.587 0.425 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.902 -15.183 -1.702 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.641 -12.583 -0.755 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.989 -13.693 -1.943 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.252 -13.991 -4.151 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -3.168 -10.868 -1.401 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -3.402 -12.758 -5.936 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -4.322 -9.635 -3.183 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.931 -9.592 -5.307 1.00 0.00 H new ATOM 645 N GLU A 109 -0.960 -15.788 -0.065 1.00 0.00 N ATOM 646 CA GLU A 109 -0.168 -16.439 0.972 1.00 0.00 C ATOM 647 C GLU A 109 0.695 -15.424 1.715 1.00 0.00 C ATOM 648 O GLU A 109 1.271 -14.520 1.110 1.00 0.00 O ATOM 649 CB GLU A 109 0.717 -17.528 0.361 1.00 0.00 C ATOM 650 CG GLU A 109 1.092 -18.628 1.340 1.00 0.00 C ATOM 651 CD GLU A 109 -0.013 -19.650 1.520 1.00 0.00 C ATOM 652 OE1 GLU A 109 -0.134 -20.549 0.661 1.00 0.00 O ATOM 653 OE2 GLU A 109 -0.757 -19.552 2.518 1.00 0.00 O ATOM 0 H GLU A 109 -0.637 -15.964 -1.016 1.00 0.00 H new ATOM 0 HA GLU A 109 -0.855 -16.896 1.684 1.00 0.00 H new ATOM 0 HB2 GLU A 109 0.199 -17.971 -0.489 1.00 0.00 H new ATOM 0 HB3 GLU A 109 1.628 -17.070 -0.025 1.00 0.00 H new ATOM 0 HG2 GLU A 109 1.993 -19.131 0.988 1.00 0.00 H new ATOM 0 HG3 GLU A 109 1.332 -18.183 2.306 1.00 0.00 H new ATOM 660 N LYS A 110 0.780 -15.579 3.032 1.00 0.00 N ATOM 661 CA LYS A 110 1.573 -14.678 3.860 1.00 0.00 C ATOM 662 C LYS A 110 3.053 -14.770 3.501 1.00 0.00 C ATOM 663 O LYS A 110 3.623 -15.860 3.451 1.00 0.00 O ATOM 664 CB LYS A 110 1.375 -15.007 5.342 1.00 0.00 C ATOM 665 CG LYS A 110 1.999 -13.988 6.280 1.00 0.00 C ATOM 666 CD LYS A 110 2.126 -14.535 7.692 1.00 0.00 C ATOM 667 CE LYS A 110 0.884 -14.238 8.518 1.00 0.00 C ATOM 668 NZ LYS A 110 1.160 -14.308 9.979 1.00 0.00 N ATOM 0 H LYS A 110 0.309 -16.321 3.549 1.00 0.00 H new ATOM 0 HA LYS A 110 1.234 -13.659 3.672 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.307 -15.075 5.551 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.803 -15.988 5.548 1.00 0.00 H new ATOM 0 HG2 LYS A 110 2.984 -13.705 5.908 1.00 0.00 H new ATOM 0 HG3 LYS A 110 1.391 -13.083 6.292 1.00 0.00 H new ATOM 0 HD2 LYS A 110 2.289 -15.612 7.653 1.00 0.00 H new ATOM 0 HD3 LYS A 110 2.999 -14.097 8.176 1.00 0.00 H new ATOM 0 HE2 LYS A 110 0.509 -13.246 8.266 1.00 0.00 H new ATOM 0 HE3 LYS A 110 0.099 -14.950 8.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 0.289 -14.100 10.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 1.494 -15.262 10.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 1.891 -13.611 10.228 1.00 0.00 H new ATOM 682 N CYS A 111 3.669 -13.619 3.254 1.00 0.00 N ATOM 683 CA CYS A 111 5.083 -13.569 2.901 1.00 0.00 C ATOM 684 C CYS A 111 5.867 -12.740 3.915 1.00 0.00 C ATOM 685 O CYS A 111 5.759 -11.514 3.945 1.00 0.00 O ATOM 686 CB CYS A 111 5.259 -12.981 1.500 1.00 0.00 C ATOM 687 SG CYS A 111 6.994 -12.856 0.959 1.00 0.00 S ATOM 0 H CYS A 111 3.211 -12.708 3.292 1.00 0.00 H new ATOM 0 HA CYS A 111 5.472 -14.587 2.912 1.00 0.00 H new ATOM 0 HB2 CYS A 111 4.711 -13.597 0.787 1.00 0.00 H new ATOM 0 HB3 CYS A 111 4.809 -11.988 1.475 1.00 0.00 H new ATOM 0 HG CYS A 111 7.093 -11.961 0.021 1.00 0.00 H new ATOM 692 N GLU A 112 6.657 -13.418 4.741 1.00 0.00 N ATOM 693 CA GLU A 112 7.459 -12.744 5.756 1.00 0.00 C ATOM 694 C GLU A 112 8.647 -12.027 5.122 1.00 0.00 C ATOM 695 O GLU A 112 9.079 -10.978 5.600 1.00 0.00 O ATOM 696 CB GLU A 112 7.953 -13.750 6.798 1.00 0.00 C ATOM 697 CG GLU A 112 6.834 -14.515 7.484 1.00 0.00 C ATOM 698 CD GLU A 112 7.307 -15.823 8.088 1.00 0.00 C ATOM 699 OE1 GLU A 112 8.444 -15.861 8.604 1.00 0.00 O ATOM 700 OE2 GLU A 112 6.541 -16.809 8.045 1.00 0.00 O ATOM 0 H GLU A 112 6.759 -14.433 4.728 1.00 0.00 H new ATOM 0 HA GLU A 112 6.829 -12.003 6.248 1.00 0.00 H new ATOM 0 HB2 GLU A 112 8.624 -14.460 6.315 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.536 -13.222 7.552 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.401 -13.893 8.267 1.00 0.00 H new ATOM 0 HG3 GLU A 112 6.042 -14.717 6.763 1.00 0.00 H new ATOM 707 N ARG A 113 9.170 -12.600 4.044 1.00 0.00 N ATOM 708 CA ARG A 113 10.309 -12.017 3.345 1.00 0.00 C ATOM 709 C ARG A 113 10.099 -10.524 3.114 1.00 0.00 C ATOM 710 O ARG A 113 11.056 -9.775 2.915 1.00 0.00 O ATOM 711 CB ARG A 113 10.531 -12.725 2.007 1.00 0.00 C ATOM 712 CG ARG A 113 11.021 -14.157 2.149 1.00 0.00 C ATOM 713 CD ARG A 113 11.227 -14.812 0.792 1.00 0.00 C ATOM 714 NE ARG A 113 12.476 -14.388 0.164 1.00 0.00 N ATOM 715 CZ ARG A 113 12.733 -14.535 -1.131 1.00 0.00 C ATOM 716 NH1 ARG A 113 11.834 -15.092 -1.930 1.00 0.00 N ATOM 717 NH2 ARG A 113 13.893 -14.124 -1.629 1.00 0.00 N ATOM 0 H ARG A 113 8.823 -13.468 3.635 1.00 0.00 H new ATOM 0 HA ARG A 113 11.193 -12.150 3.969 1.00 0.00 H new ATOM 0 HB2 ARG A 113 9.597 -12.724 1.446 1.00 0.00 H new ATOM 0 HB3 ARG A 113 11.255 -12.159 1.422 1.00 0.00 H new ATOM 0 HG2 ARG A 113 11.958 -14.169 2.706 1.00 0.00 H new ATOM 0 HG3 ARG A 113 10.299 -14.734 2.727 1.00 0.00 H new ATOM 0 HD2 ARG A 113 11.230 -15.896 0.909 1.00 0.00 H new ATOM 0 HD3 ARG A 113 10.390 -14.564 0.139 1.00 0.00 H new ATOM 0 HE ARG A 113 13.189 -13.956 0.751 1.00 0.00 H new ATOM 0 HH11 ARG A 113 10.942 -15.409 -1.551 1.00 0.00 H new ATOM 0 HH12 ARG A 113 12.034 -15.203 -2.924 1.00 0.00 H new ATOM 0 HH21 ARG A 113 14.587 -13.695 -1.017 1.00 0.00 H new ATOM 0 HH22 ARG A 113 14.090 -14.237 -2.623 1.00 0.00 H new ATOM 731 N SER A 114 8.840 -10.098 3.140 1.00 0.00 N ATOM 732 CA SER A 114 8.503 -8.695 2.929 1.00 0.00 C ATOM 733 C SER A 114 9.209 -8.147 1.693 1.00 0.00 C ATOM 734 O SER A 114 9.781 -7.056 1.722 1.00 0.00 O ATOM 735 CB SER A 114 8.885 -7.866 4.158 1.00 0.00 C ATOM 736 OG SER A 114 8.029 -8.150 5.250 1.00 0.00 O ATOM 0 H SER A 114 8.037 -10.704 3.305 1.00 0.00 H new ATOM 0 HA SER A 114 7.427 -8.625 2.773 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.917 -8.077 4.437 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.831 -6.805 3.916 1.00 0.00 H new ATOM 0 HG SER A 114 8.199 -9.060 5.570 1.00 0.00 H new ATOM 742 N CYS A 115 9.165 -8.911 0.607 1.00 0.00 N ATOM 743 CA CYS A 115 9.800 -8.505 -0.641 1.00 0.00 C ATOM 744 C CYS A 115 9.673 -6.999 -0.851 1.00 0.00 C ATOM 745 O CYS A 115 8.727 -6.371 -0.373 1.00 0.00 O ATOM 746 CB CYS A 115 9.175 -9.250 -1.822 1.00 0.00 C ATOM 747 SG CYS A 115 8.975 -11.040 -1.550 1.00 0.00 S ATOM 0 H CYS A 115 8.696 -9.816 0.566 1.00 0.00 H new ATOM 0 HA CYS A 115 10.858 -8.758 -0.580 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.199 -8.815 -2.037 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.795 -9.095 -2.705 1.00 0.00 H new ATOM 0 HG CYS A 115 7.735 -11.374 -1.752 1.00 0.00 H new ATOM 752 N LYS A 116 10.632 -6.424 -1.569 1.00 0.00 N ATOM 753 CA LYS A 116 10.628 -4.992 -1.844 1.00 0.00 C ATOM 754 C LYS A 116 10.179 -4.714 -3.275 1.00 0.00 C ATOM 755 O LYS A 116 10.902 -5.004 -4.229 1.00 0.00 O ATOM 756 CB LYS A 116 12.022 -4.403 -1.612 1.00 0.00 C ATOM 757 CG LYS A 116 12.004 -2.942 -1.200 1.00 0.00 C ATOM 758 CD LYS A 116 11.909 -2.023 -2.408 1.00 0.00 C ATOM 759 CE LYS A 116 12.197 -0.578 -2.032 1.00 0.00 C ATOM 760 NZ LYS A 116 10.970 0.132 -1.576 1.00 0.00 N ATOM 0 H LYS A 116 11.422 -6.928 -1.971 1.00 0.00 H new ATOM 0 HA LYS A 116 9.922 -4.518 -1.162 1.00 0.00 H new ATOM 0 HB2 LYS A 116 12.529 -4.983 -0.841 1.00 0.00 H new ATOM 0 HB3 LYS A 116 12.608 -4.507 -2.525 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.159 -2.761 -0.536 1.00 0.00 H new ATOM 0 HG3 LYS A 116 12.908 -2.711 -0.636 1.00 0.00 H new ATOM 0 HD2 LYS A 116 12.615 -2.349 -3.171 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.913 -2.095 -2.844 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.947 -0.551 -1.241 1.00 0.00 H new ATOM 0 HE3 LYS A 116 12.620 -0.057 -2.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 11.209 1.114 -1.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 10.263 0.129 -2.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 10.580 -0.350 -0.741 1.00 0.00 H new ATOM 774 N ILE A 117 8.985 -4.151 -3.417 1.00 0.00 N ATOM 775 CA ILE A 117 8.442 -3.832 -4.732 1.00 0.00 C ATOM 776 C ILE A 117 9.307 -2.801 -5.448 1.00 0.00 C ATOM 777 O ILE A 117 9.319 -1.626 -5.083 1.00 0.00 O ATOM 778 CB ILE A 117 7.001 -3.297 -4.632 1.00 0.00 C ATOM 779 CG1 ILE A 117 6.116 -4.291 -3.878 1.00 0.00 C ATOM 780 CG2 ILE A 117 6.440 -3.025 -6.019 1.00 0.00 C ATOM 781 CD1 ILE A 117 5.860 -5.572 -4.641 1.00 0.00 C ATOM 0 H ILE A 117 8.374 -3.906 -2.638 1.00 0.00 H new ATOM 0 HA ILE A 117 8.437 -4.759 -5.305 1.00 0.00 H new ATOM 0 HB ILE A 117 7.015 -2.359 -4.077 1.00 0.00 H new ATOM 0 HG12 ILE A 117 6.586 -4.533 -2.925 1.00 0.00 H new ATOM 0 HG13 ILE A 117 5.162 -3.816 -3.651 1.00 0.00 H new ATOM 0 HG21 ILE A 117 5.421 -2.648 -5.932 1.00 0.00 H new ATOM 0 HG22 ILE A 117 7.060 -2.284 -6.523 1.00 0.00 H new ATOM 0 HG23 ILE A 117 6.436 -3.949 -6.598 1.00 0.00 H new ATOM 0 HD11 ILE A 117 5.226 -6.229 -4.046 1.00 0.00 H new ATOM 0 HD12 ILE A 117 5.362 -5.341 -5.582 1.00 0.00 H new ATOM 0 HD13 ILE A 117 6.808 -6.070 -4.845 1.00 0.00 H new ATOM 793 N GLN A 118 10.028 -3.249 -6.471 1.00 0.00 N ATOM 794 CA GLN A 118 10.895 -2.365 -7.240 1.00 0.00 C ATOM 795 C GLN A 118 10.435 -2.277 -8.691 1.00 0.00 C ATOM 796 O GLN A 118 10.014 -3.273 -9.282 1.00 0.00 O ATOM 797 CB GLN A 118 12.342 -2.856 -7.180 1.00 0.00 C ATOM 798 CG GLN A 118 13.308 -2.004 -7.988 1.00 0.00 C ATOM 799 CD GLN A 118 13.675 -0.712 -7.285 1.00 0.00 C ATOM 800 OE1 GLN A 118 12.808 0.004 -6.784 1.00 0.00 O ATOM 801 NE2 GLN A 118 14.967 -0.407 -7.243 1.00 0.00 N ATOM 0 H GLN A 118 10.029 -4.219 -6.786 1.00 0.00 H new ATOM 0 HA GLN A 118 10.838 -1.370 -6.800 1.00 0.00 H new ATOM 0 HB2 GLN A 118 12.668 -2.873 -6.140 1.00 0.00 H new ATOM 0 HB3 GLN A 118 12.384 -3.882 -7.544 1.00 0.00 H new ATOM 0 HG2 GLN A 118 14.215 -2.576 -8.184 1.00 0.00 H new ATOM 0 HG3 GLN A 118 12.861 -1.773 -8.955 1.00 0.00 H new ATOM 0 HE21 GLN A 118 15.652 -1.029 -7.671 1.00 0.00 H new ATOM 0 HE22 GLN A 118 15.274 0.450 -6.782 1.00 0.00 H new ATOM 810 N LYS A 119 10.517 -1.080 -9.262 1.00 0.00 N ATOM 811 CA LYS A 119 10.110 -0.862 -10.645 1.00 0.00 C ATOM 812 C LYS A 119 10.689 -1.936 -11.559 1.00 0.00 C ATOM 813 O LYS A 119 9.964 -2.576 -12.320 1.00 0.00 O ATOM 814 CB LYS A 119 10.560 0.522 -11.118 1.00 0.00 C ATOM 815 CG LYS A 119 10.504 0.698 -12.626 1.00 0.00 C ATOM 816 CD LYS A 119 10.546 2.165 -13.018 1.00 0.00 C ATOM 817 CE LYS A 119 11.975 2.678 -13.107 1.00 0.00 C ATOM 818 NZ LYS A 119 12.027 4.111 -13.508 1.00 0.00 N ATOM 0 H LYS A 119 10.862 -0.245 -8.788 1.00 0.00 H new ATOM 0 HA LYS A 119 9.022 -0.920 -10.691 1.00 0.00 H new ATOM 0 HB2 LYS A 119 9.932 1.279 -10.649 1.00 0.00 H new ATOM 0 HB3 LYS A 119 11.580 0.699 -10.778 1.00 0.00 H new ATOM 0 HG2 LYS A 119 11.342 0.173 -13.086 1.00 0.00 H new ATOM 0 HG3 LYS A 119 9.592 0.243 -13.013 1.00 0.00 H new ATOM 0 HD2 LYS A 119 10.049 2.300 -13.979 1.00 0.00 H new ATOM 0 HD3 LYS A 119 9.992 2.754 -12.287 1.00 0.00 H new ATOM 0 HE2 LYS A 119 12.466 2.553 -12.142 1.00 0.00 H new ATOM 0 HE3 LYS A 119 12.531 2.079 -13.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 13.018 4.422 -13.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 11.581 4.227 -14.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 11.518 4.686 -12.807 1.00 0.00 H new ATOM 832 N LYS A 120 12.001 -2.131 -11.478 1.00 0.00 N ATOM 833 CA LYS A 120 12.679 -3.130 -12.295 1.00 0.00 C ATOM 834 C LYS A 120 11.911 -4.448 -12.292 1.00 0.00 C ATOM 835 O LYS A 120 11.560 -4.975 -13.346 1.00 0.00 O ATOM 836 CB LYS A 120 14.104 -3.356 -11.784 1.00 0.00 C ATOM 837 CG LYS A 120 15.013 -2.154 -11.968 1.00 0.00 C ATOM 838 CD LYS A 120 16.473 -2.568 -12.059 1.00 0.00 C ATOM 839 CE LYS A 120 17.399 -1.440 -11.631 1.00 0.00 C ATOM 840 NZ LYS A 120 18.673 -1.957 -11.056 1.00 0.00 N ATOM 0 H LYS A 120 12.616 -1.609 -10.854 1.00 0.00 H new ATOM 0 HA LYS A 120 12.722 -2.757 -13.318 1.00 0.00 H new ATOM 0 HB2 LYS A 120 14.065 -3.613 -10.725 1.00 0.00 H new ATOM 0 HB3 LYS A 120 14.536 -4.211 -12.304 1.00 0.00 H new ATOM 0 HG2 LYS A 120 14.729 -1.617 -12.873 1.00 0.00 H new ATOM 0 HG3 LYS A 120 14.880 -1.465 -11.134 1.00 0.00 H new ATOM 0 HD2 LYS A 120 16.645 -3.441 -11.429 1.00 0.00 H new ATOM 0 HD3 LYS A 120 16.706 -2.863 -13.082 1.00 0.00 H new ATOM 0 HE2 LYS A 120 17.619 -0.805 -12.489 1.00 0.00 H new ATOM 0 HE3 LYS A 120 16.894 -0.816 -10.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 19.277 -1.158 -10.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 18.465 -2.542 -10.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 19.167 -2.532 -11.768 1.00 0.00 H new ATOM 854 N ASN A 121 11.653 -4.974 -11.098 1.00 0.00 N ATOM 855 CA ASN A 121 10.925 -6.230 -10.958 1.00 0.00 C ATOM 856 C ASN A 121 9.789 -6.090 -9.950 1.00 0.00 C ATOM 857 O ASN A 121 9.923 -6.481 -8.790 1.00 0.00 O ATOM 858 CB ASN A 121 11.875 -7.347 -10.522 1.00 0.00 C ATOM 859 CG ASN A 121 13.022 -6.833 -9.674 1.00 0.00 C ATOM 860 OD1 ASN A 121 13.832 -6.025 -10.129 1.00 0.00 O ATOM 861 ND2 ASN A 121 13.097 -7.300 -8.433 1.00 0.00 N ATOM 0 H ASN A 121 11.937 -4.550 -10.215 1.00 0.00 H new ATOM 0 HA ASN A 121 10.497 -6.484 -11.928 1.00 0.00 H new ATOM 0 HB2 ASN A 121 11.317 -8.095 -9.959 1.00 0.00 H new ATOM 0 HB3 ASN A 121 12.275 -7.845 -11.405 1.00 0.00 H new ATOM 0 HD21 ASN A 121 13.848 -6.990 -7.816 1.00 0.00 H new ATOM 0 HD22 ASN A 121 12.404 -7.969 -8.097 1.00 0.00 H new ATOM 868 N ARG A 122 8.670 -5.532 -10.400 1.00 0.00 N ATOM 869 CA ARG A 122 7.511 -5.340 -9.538 1.00 0.00 C ATOM 870 C ARG A 122 6.652 -6.601 -9.494 1.00 0.00 C ATOM 871 O ARG A 122 6.061 -6.925 -8.465 1.00 0.00 O ATOM 872 CB ARG A 122 6.674 -4.157 -10.028 1.00 0.00 C ATOM 873 CG ARG A 122 6.166 -4.318 -11.451 1.00 0.00 C ATOM 874 CD ARG A 122 5.349 -3.113 -11.891 1.00 0.00 C ATOM 875 NE ARG A 122 5.002 -3.175 -13.308 1.00 0.00 N ATOM 876 CZ ARG A 122 5.818 -2.787 -14.282 1.00 0.00 C ATOM 877 NH1 ARG A 122 7.022 -2.313 -13.994 1.00 0.00 N ATOM 878 NH2 ARG A 122 5.430 -2.874 -15.548 1.00 0.00 N ATOM 0 H ARG A 122 8.542 -5.205 -11.358 1.00 0.00 H new ATOM 0 HA ARG A 122 7.870 -5.129 -8.531 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.823 -4.024 -9.360 1.00 0.00 H new ATOM 0 HB3 ARG A 122 7.273 -3.249 -9.966 1.00 0.00 H new ATOM 0 HG2 ARG A 122 7.011 -4.453 -12.127 1.00 0.00 H new ATOM 0 HG3 ARG A 122 5.555 -5.218 -11.521 1.00 0.00 H new ATOM 0 HD2 ARG A 122 4.437 -3.057 -11.297 1.00 0.00 H new ATOM 0 HD3 ARG A 122 5.914 -2.201 -11.696 1.00 0.00 H new ATOM 0 HE ARG A 122 4.083 -3.536 -13.564 1.00 0.00 H new ATOM 0 HH11 ARG A 122 7.324 -2.245 -13.022 1.00 0.00 H new ATOM 0 HH12 ARG A 122 7.646 -2.016 -14.744 1.00 0.00 H new ATOM 0 HH21 ARG A 122 4.505 -3.239 -15.774 1.00 0.00 H new ATOM 0 HH22 ARG A 122 6.057 -2.576 -16.295 1.00 0.00 H new ATOM 892 N ASN A 123 6.588 -7.306 -10.618 1.00 0.00 N ATOM 893 CA ASN A 123 5.800 -8.531 -10.709 1.00 0.00 C ATOM 894 C ASN A 123 6.557 -9.710 -10.105 1.00 0.00 C ATOM 895 O ASN A 123 6.825 -10.703 -10.782 1.00 0.00 O ATOM 896 CB ASN A 123 5.449 -8.829 -12.167 1.00 0.00 C ATOM 897 CG ASN A 123 4.344 -9.860 -12.297 1.00 0.00 C ATOM 898 OD1 ASN A 123 4.000 -10.542 -11.331 1.00 0.00 O ATOM 899 ND2 ASN A 123 3.783 -9.979 -13.494 1.00 0.00 N ATOM 0 H ASN A 123 7.072 -7.051 -11.479 1.00 0.00 H new ATOM 0 HA ASN A 123 4.880 -8.385 -10.144 1.00 0.00 H new ATOM 0 HB2 ASN A 123 5.141 -7.907 -12.660 1.00 0.00 H new ATOM 0 HB3 ASN A 123 6.338 -9.186 -12.686 1.00 0.00 H new ATOM 0 HD21 ASN A 123 3.035 -10.657 -13.642 1.00 0.00 H new ATOM 0 HD22 ASN A 123 4.100 -9.393 -14.266 1.00 0.00 H new ATOM 906 N LYS A 124 6.899 -9.594 -8.826 1.00 0.00 N ATOM 907 CA LYS A 124 7.623 -10.650 -8.128 1.00 0.00 C ATOM 908 C LYS A 124 6.746 -11.298 -7.062 1.00 0.00 C ATOM 909 O LYS A 124 6.400 -12.476 -7.159 1.00 0.00 O ATOM 910 CB LYS A 124 8.893 -10.088 -7.487 1.00 0.00 C ATOM 911 CG LYS A 124 9.948 -11.142 -7.200 1.00 0.00 C ATOM 912 CD LYS A 124 11.048 -10.601 -6.303 1.00 0.00 C ATOM 913 CE LYS A 124 10.716 -10.801 -4.832 1.00 0.00 C ATOM 914 NZ LYS A 124 11.772 -10.241 -3.944 1.00 0.00 N ATOM 0 H LYS A 124 6.686 -8.779 -8.251 1.00 0.00 H new ATOM 0 HA LYS A 124 7.898 -11.411 -8.858 1.00 0.00 H new ATOM 0 HB2 LYS A 124 9.318 -9.331 -8.146 1.00 0.00 H new ATOM 0 HB3 LYS A 124 8.629 -9.588 -6.555 1.00 0.00 H new ATOM 0 HG2 LYS A 124 9.481 -12.005 -6.725 1.00 0.00 H new ATOM 0 HG3 LYS A 124 10.381 -11.490 -8.138 1.00 0.00 H new ATOM 0 HD2 LYS A 124 11.988 -11.101 -6.536 1.00 0.00 H new ATOM 0 HD3 LYS A 124 11.193 -9.539 -6.503 1.00 0.00 H new ATOM 0 HE2 LYS A 124 9.762 -10.324 -4.607 1.00 0.00 H new ATOM 0 HE3 LYS A 124 10.597 -11.865 -4.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 11.509 -10.397 -2.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 12.677 -10.713 -4.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 11.869 -9.221 -4.120 1.00 0.00 H new ATOM 928 N CYS A 125 6.389 -10.521 -6.044 1.00 0.00 N ATOM 929 CA CYS A 125 5.552 -11.019 -4.959 1.00 0.00 C ATOM 930 C CYS A 125 4.184 -10.341 -4.973 1.00 0.00 C ATOM 931 O CYS A 125 4.083 -9.131 -5.174 1.00 0.00 O ATOM 932 CB CYS A 125 6.235 -10.785 -3.611 1.00 0.00 C ATOM 933 SG CYS A 125 5.412 -11.604 -2.208 1.00 0.00 S ATOM 0 H CYS A 125 6.666 -9.544 -5.948 1.00 0.00 H new ATOM 0 HA CYS A 125 5.410 -12.090 -5.105 1.00 0.00 H new ATOM 0 HB2 CYS A 125 7.264 -11.139 -3.671 1.00 0.00 H new ATOM 0 HB3 CYS A 125 6.277 -9.713 -3.418 1.00 0.00 H new ATOM 0 HG CYS A 125 5.564 -10.885 -1.136 1.00 0.00 H new ATOM 938 N GLN A 126 3.137 -11.130 -4.758 1.00 0.00 N ATOM 939 CA GLN A 126 1.776 -10.606 -4.746 1.00 0.00 C ATOM 940 C GLN A 126 1.393 -10.116 -3.354 1.00 0.00 C ATOM 941 O GLN A 126 0.993 -8.965 -3.178 1.00 0.00 O ATOM 942 CB GLN A 126 0.790 -11.678 -5.211 1.00 0.00 C ATOM 943 CG GLN A 126 0.776 -11.880 -6.718 1.00 0.00 C ATOM 944 CD GLN A 126 1.863 -12.824 -7.191 1.00 0.00 C ATOM 945 OE1 GLN A 126 3.051 -12.511 -7.112 1.00 0.00 O ATOM 946 NE2 GLN A 126 1.462 -13.989 -7.686 1.00 0.00 N ATOM 0 H GLN A 126 3.204 -12.134 -4.590 1.00 0.00 H new ATOM 0 HA GLN A 126 1.734 -9.761 -5.433 1.00 0.00 H new ATOM 0 HB2 GLN A 126 1.040 -12.623 -4.729 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -0.212 -11.406 -4.880 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -0.196 -12.271 -7.019 1.00 0.00 H new ATOM 0 HG3 GLN A 126 0.898 -10.916 -7.211 1.00 0.00 H new ATOM 0 HE21 GLN A 126 0.467 -14.208 -7.733 1.00 0.00 H new ATOM 0 HE22 GLN A 126 2.149 -14.665 -8.019 1.00 0.00 H new ATOM 955 N TYR A 127 1.519 -10.996 -2.367 1.00 0.00 N ATOM 956 CA TYR A 127 1.184 -10.655 -0.990 1.00 0.00 C ATOM 957 C TYR A 127 1.798 -9.315 -0.596 1.00 0.00 C ATOM 958 O TYR A 127 1.096 -8.397 -0.172 1.00 0.00 O ATOM 959 CB TYR A 127 1.668 -11.750 -0.038 1.00 0.00 C ATOM 960 CG TYR A 127 1.513 -11.394 1.423 1.00 0.00 C ATOM 961 CD1 TYR A 127 2.510 -10.701 2.099 1.00 0.00 C ATOM 962 CD2 TYR A 127 0.370 -11.751 2.128 1.00 0.00 C ATOM 963 CE1 TYR A 127 2.373 -10.374 3.434 1.00 0.00 C ATOM 964 CE2 TYR A 127 0.225 -11.427 3.463 1.00 0.00 C ATOM 965 CZ TYR A 127 1.229 -10.739 4.112 1.00 0.00 C ATOM 966 OH TYR A 127 1.088 -10.416 5.442 1.00 0.00 O ATOM 0 H TYR A 127 1.851 -11.952 -2.495 1.00 0.00 H new ATOM 0 HA TYR A 127 0.100 -10.573 -0.917 1.00 0.00 H new ATOM 0 HB2 TYR A 127 1.114 -12.667 -0.241 1.00 0.00 H new ATOM 0 HB3 TYR A 127 2.718 -11.960 -0.243 1.00 0.00 H new ATOM 0 HD1 TYR A 127 3.407 -10.413 1.571 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -0.418 -12.291 1.624 1.00 0.00 H new ATOM 0 HE1 TYR A 127 3.158 -9.835 3.944 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -0.670 -11.711 3.996 1.00 0.00 H new ATOM 0 HH TYR A 127 0.979 -9.446 5.533 1.00 0.00 H new ATOM 976 N CYS A 128 3.115 -9.210 -0.740 1.00 0.00 N ATOM 977 CA CYS A 128 3.827 -7.984 -0.401 1.00 0.00 C ATOM 978 C CYS A 128 3.209 -6.782 -1.109 1.00 0.00 C ATOM 979 O CYS A 128 2.819 -5.805 -0.470 1.00 0.00 O ATOM 980 CB CYS A 128 5.305 -8.107 -0.776 1.00 0.00 C ATOM 981 SG CYS A 128 6.286 -9.115 0.382 1.00 0.00 S ATOM 0 H CYS A 128 3.711 -9.960 -1.090 1.00 0.00 H new ATOM 0 HA CYS A 128 3.744 -7.831 0.675 1.00 0.00 H new ATOM 0 HB2 CYS A 128 5.381 -8.541 -1.773 1.00 0.00 H new ATOM 0 HB3 CYS A 128 5.739 -7.109 -0.830 1.00 0.00 H new ATOM 0 HG CYS A 128 7.066 -9.910 -0.288 1.00 0.00 H new ATOM 986 N ARG A 129 3.123 -6.862 -2.433 1.00 0.00 N ATOM 987 CA ARG A 129 2.554 -5.782 -3.228 1.00 0.00 C ATOM 988 C ARG A 129 1.331 -5.185 -2.538 1.00 0.00 C ATOM 989 O ARG A 129 1.251 -3.973 -2.333 1.00 0.00 O ATOM 990 CB ARG A 129 2.170 -6.291 -4.619 1.00 0.00 C ATOM 991 CG ARG A 129 1.363 -5.292 -5.432 1.00 0.00 C ATOM 992 CD ARG A 129 1.551 -5.508 -6.926 1.00 0.00 C ATOM 993 NE ARG A 129 2.638 -4.695 -7.464 1.00 0.00 N ATOM 994 CZ ARG A 129 2.482 -3.444 -7.881 1.00 0.00 C ATOM 995 NH1 ARG A 129 1.291 -2.865 -7.822 1.00 0.00 N ATOM 996 NH2 ARG A 129 3.520 -2.768 -8.359 1.00 0.00 N ATOM 0 H ARG A 129 3.440 -7.664 -2.977 1.00 0.00 H new ATOM 0 HA ARG A 129 3.309 -5.003 -3.329 1.00 0.00 H new ATOM 0 HB2 ARG A 129 3.077 -6.544 -5.167 1.00 0.00 H new ATOM 0 HB3 ARG A 129 1.594 -7.211 -4.514 1.00 0.00 H new ATOM 0 HG2 ARG A 129 0.307 -5.385 -5.180 1.00 0.00 H new ATOM 0 HG3 ARG A 129 1.665 -4.278 -5.169 1.00 0.00 H new ATOM 0 HD2 ARG A 129 1.757 -6.561 -7.117 1.00 0.00 H new ATOM 0 HD3 ARG A 129 0.625 -5.265 -7.447 1.00 0.00 H new ATOM 0 HE ARG A 129 3.568 -5.111 -7.523 1.00 0.00 H new ATOM 0 HH11 ARG A 129 0.491 -3.381 -7.455 1.00 0.00 H new ATOM 0 HH12 ARG A 129 1.175 -1.904 -8.143 1.00 0.00 H new ATOM 0 HH21 ARG A 129 4.438 -3.210 -8.406 1.00 0.00 H new ATOM 0 HH22 ARG A 129 3.399 -1.807 -8.679 1.00 0.00 H new ATOM 1010 N PHE A 130 0.381 -6.043 -2.183 1.00 0.00 N ATOM 1011 CA PHE A 130 -0.839 -5.600 -1.517 1.00 0.00 C ATOM 1012 C PHE A 130 -0.522 -4.972 -0.163 1.00 0.00 C ATOM 1013 O PHE A 130 -1.053 -3.917 0.182 1.00 0.00 O ATOM 1014 CB PHE A 130 -1.801 -6.776 -1.335 1.00 0.00 C ATOM 1015 CG PHE A 130 -3.120 -6.383 -0.733 1.00 0.00 C ATOM 1016 CD1 PHE A 130 -3.997 -5.565 -1.426 1.00 0.00 C ATOM 1017 CD2 PHE A 130 -3.483 -6.833 0.526 1.00 0.00 C ATOM 1018 CE1 PHE A 130 -5.211 -5.202 -0.876 1.00 0.00 C ATOM 1019 CE2 PHE A 130 -4.697 -6.474 1.082 1.00 0.00 C ATOM 1020 CZ PHE A 130 -5.561 -5.656 0.381 1.00 0.00 C ATOM 0 H PHE A 130 0.432 -7.049 -2.345 1.00 0.00 H new ATOM 0 HA PHE A 130 -1.313 -4.846 -2.145 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -1.978 -7.244 -2.303 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -1.330 -7.526 -0.700 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -3.728 -5.207 -2.409 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -2.810 -7.471 1.079 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -5.886 -4.564 -1.428 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -4.969 -6.833 2.064 1.00 0.00 H new ATOM 0 HZ PHE A 130 -6.508 -5.372 0.815 1.00 0.00 H new ATOM 1030 N GLN A 131 0.345 -5.630 0.599 1.00 0.00 N ATOM 1031 CA GLN A 131 0.731 -5.138 1.916 1.00 0.00 C ATOM 1032 C GLN A 131 1.177 -3.681 1.843 1.00 0.00 C ATOM 1033 O GLN A 131 0.641 -2.820 2.542 1.00 0.00 O ATOM 1034 CB GLN A 131 1.854 -5.999 2.497 1.00 0.00 C ATOM 1035 CG GLN A 131 1.409 -7.399 2.885 1.00 0.00 C ATOM 1036 CD GLN A 131 0.339 -7.394 3.960 1.00 0.00 C ATOM 1037 OE1 GLN A 131 0.755 -7.557 5.210 1.00 0.00 O flip ATOM 1038 NE2 GLN A 131 -0.848 -7.245 3.669 1.00 0.00 N flip ATOM 0 H GLN A 131 0.793 -6.505 0.327 1.00 0.00 H new ATOM 0 HA GLN A 131 -0.140 -5.201 2.569 1.00 0.00 H new ATOM 0 HB2 GLN A 131 2.659 -6.072 1.766 1.00 0.00 H new ATOM 0 HB3 GLN A 131 2.265 -5.501 3.375 1.00 0.00 H new ATOM 0 HG2 GLN A 131 1.029 -7.913 2.002 1.00 0.00 H new ATOM 0 HG3 GLN A 131 2.271 -7.965 3.238 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -1.123 -7.123 2.694 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -1.557 -7.244 4.403 1.00 0.00 H new ATOM 1047 N LYS A 132 2.162 -3.411 0.993 1.00 0.00 N ATOM 1048 CA LYS A 132 2.680 -2.058 0.827 1.00 0.00 C ATOM 1049 C LYS A 132 1.544 -1.041 0.789 1.00 0.00 C ATOM 1050 O LYS A 132 1.496 -0.120 1.606 1.00 0.00 O ATOM 1051 CB LYS A 132 3.508 -1.961 -0.457 1.00 0.00 C ATOM 1052 CG LYS A 132 4.260 -0.649 -0.598 1.00 0.00 C ATOM 1053 CD LYS A 132 5.465 -0.792 -1.512 1.00 0.00 C ATOM 1054 CE LYS A 132 6.339 0.452 -1.481 1.00 0.00 C ATOM 1055 NZ LYS A 132 7.302 0.426 -0.345 1.00 0.00 N ATOM 0 H LYS A 132 2.618 -4.112 0.408 1.00 0.00 H new ATOM 0 HA LYS A 132 3.318 -1.833 1.682 1.00 0.00 H new ATOM 0 HB2 LYS A 132 4.222 -2.784 -0.482 1.00 0.00 H new ATOM 0 HB3 LYS A 132 2.848 -2.086 -1.315 1.00 0.00 H new ATOM 0 HG2 LYS A 132 3.590 0.114 -0.994 1.00 0.00 H new ATOM 0 HG3 LYS A 132 4.586 -0.308 0.385 1.00 0.00 H new ATOM 0 HD2 LYS A 132 6.053 -1.658 -1.208 1.00 0.00 H new ATOM 0 HD3 LYS A 132 5.129 -0.977 -2.532 1.00 0.00 H new ATOM 0 HE2 LYS A 132 6.887 0.534 -2.420 1.00 0.00 H new ATOM 0 HE3 LYS A 132 5.708 1.337 -1.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 7.879 1.291 -0.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 6.779 0.373 0.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 7.921 -0.405 -0.434 1.00 0.00 H new ATOM 1069 N CYS A 133 0.633 -1.213 -0.161 1.00 0.00 N ATOM 1070 CA CYS A 133 -0.503 -0.310 -0.304 1.00 0.00 C ATOM 1071 C CYS A 133 -1.095 0.039 1.058 1.00 0.00 C ATOM 1072 O CYS A 133 -1.369 1.204 1.348 1.00 0.00 O ATOM 1073 CB CYS A 133 -1.576 -0.942 -1.193 1.00 0.00 C ATOM 1074 SG CYS A 133 -1.176 -0.928 -2.956 1.00 0.00 S ATOM 0 H CYS A 133 0.659 -1.970 -0.844 1.00 0.00 H new ATOM 0 HA CYS A 133 -0.148 0.608 -0.772 1.00 0.00 H new ATOM 0 HB2 CYS A 133 -1.735 -1.973 -0.876 1.00 0.00 H new ATOM 0 HB3 CYS A 133 -2.517 -0.413 -1.041 1.00 0.00 H new ATOM 0 HG CYS A 133 -1.731 0.104 -3.519 1.00 0.00 H new ATOM 1080 N LEU A 134 -1.292 -0.978 1.890 1.00 0.00 N ATOM 1081 CA LEU A 134 -1.853 -0.780 3.221 1.00 0.00 C ATOM 1082 C LEU A 134 -0.927 0.074 4.081 1.00 0.00 C ATOM 1083 O LEU A 134 -1.325 1.123 4.587 1.00 0.00 O ATOM 1084 CB LEU A 134 -2.097 -2.129 3.900 1.00 0.00 C ATOM 1085 CG LEU A 134 -2.990 -3.110 3.140 1.00 0.00 C ATOM 1086 CD1 LEU A 134 -2.936 -4.488 3.782 1.00 0.00 C ATOM 1087 CD2 LEU A 134 -4.422 -2.599 3.090 1.00 0.00 C ATOM 0 H LEU A 134 -1.071 -1.948 1.666 1.00 0.00 H new ATOM 0 HA LEU A 134 -2.803 -0.257 3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -1.132 -2.606 4.073 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -2.542 -1.946 4.878 1.00 0.00 H new ATOM 0 HG LEU A 134 -2.619 -3.193 2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -3.578 -5.173 3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -1.911 -4.857 3.765 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -3.281 -4.422 4.814 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -5.043 -3.310 2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -4.804 -2.487 4.105 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -4.446 -1.634 2.584 1.00 0.00 H new ATOM 1099 N ALA A 135 0.312 -0.381 4.240 1.00 0.00 N ATOM 1100 CA ALA A 135 1.296 0.343 5.034 1.00 0.00 C ATOM 1101 C ALA A 135 1.385 1.802 4.601 1.00 0.00 C ATOM 1102 O ALA A 135 1.611 2.692 5.422 1.00 0.00 O ATOM 1103 CB ALA A 135 2.658 -0.326 4.925 1.00 0.00 C ATOM 0 H ALA A 135 0.658 -1.248 3.829 1.00 0.00 H new ATOM 0 HA ALA A 135 0.974 0.319 6.075 1.00 0.00 H new ATOM 0 HB1 ALA A 135 3.383 0.226 5.523 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.590 -1.351 5.291 1.00 0.00 H new ATOM 0 HB3 ALA A 135 2.978 -0.333 3.883 1.00 0.00 H new ATOM 1109 N LEU A 136 1.206 2.042 3.307 1.00 0.00 N ATOM 1110 CA LEU A 136 1.267 3.395 2.764 1.00 0.00 C ATOM 1111 C LEU A 136 0.142 4.258 3.326 1.00 0.00 C ATOM 1112 O LEU A 136 0.263 5.480 3.402 1.00 0.00 O ATOM 1113 CB LEU A 136 1.182 3.357 1.237 1.00 0.00 C ATOM 1114 CG LEU A 136 2.398 2.780 0.511 1.00 0.00 C ATOM 1115 CD1 LEU A 136 2.183 2.807 -0.994 1.00 0.00 C ATOM 1116 CD2 LEU A 136 3.657 3.548 0.886 1.00 0.00 C ATOM 0 H LEU A 136 1.017 1.318 2.614 1.00 0.00 H new ATOM 0 HA LEU A 136 2.220 3.836 3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 136 0.306 2.773 0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 136 1.017 4.372 0.877 1.00 0.00 H new ATOM 0 HG LEU A 136 2.524 1.743 0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 136 3.058 2.393 -1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 136 1.305 2.212 -1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 136 2.031 3.835 -1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 136 4.512 3.124 0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 136 3.542 4.595 0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 136 3.820 3.476 1.961 1.00 0.00 H new ATOM 1128 N GLY A 137 -0.952 3.613 3.720 1.00 0.00 N ATOM 1129 CA GLY A 137 -2.082 4.337 4.272 1.00 0.00 C ATOM 1130 C GLY A 137 -3.266 4.372 3.327 1.00 0.00 C ATOM 1131 O GLY A 137 -4.193 5.161 3.511 1.00 0.00 O ATOM 0 H GLY A 137 -1.076 2.602 3.667 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -2.384 3.872 5.211 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -1.777 5.357 4.505 1.00 0.00 H new ATOM 1135 N MET A 138 -3.235 3.517 2.311 1.00 0.00 N ATOM 1136 CA MET A 138 -4.315 3.453 1.332 1.00 0.00 C ATOM 1137 C MET A 138 -5.643 3.125 2.008 1.00 0.00 C ATOM 1138 O MET A 138 -5.778 2.090 2.661 1.00 0.00 O ATOM 1139 CB MET A 138 -4.001 2.406 0.262 1.00 0.00 C ATOM 1140 CG MET A 138 -3.154 2.941 -0.882 1.00 0.00 C ATOM 1141 SD MET A 138 -3.166 1.856 -2.321 1.00 0.00 S ATOM 1142 CE MET A 138 -2.643 2.990 -3.605 1.00 0.00 C ATOM 0 H MET A 138 -2.474 2.859 2.143 1.00 0.00 H new ATOM 0 HA MET A 138 -4.401 4.431 0.858 1.00 0.00 H new ATOM 0 HB2 MET A 138 -3.482 1.568 0.727 1.00 0.00 H new ATOM 0 HB3 MET A 138 -4.937 2.018 -0.140 1.00 0.00 H new ATOM 0 HG2 MET A 138 -3.521 3.926 -1.171 1.00 0.00 H new ATOM 0 HG3 MET A 138 -2.128 3.072 -0.539 1.00 0.00 H new ATOM 0 HE1 MET A 138 -2.995 2.632 -4.572 1.00 0.00 H new ATOM 0 HE2 MET A 138 -3.061 3.978 -3.410 1.00 0.00 H new ATOM 0 HE3 MET A 138 -1.555 3.052 -3.615 1.00 0.00 H new ATOM 1152 N SER A 139 -6.619 4.012 1.848 1.00 0.00 N ATOM 1153 CA SER A 139 -7.934 3.818 2.446 1.00 0.00 C ATOM 1154 C SER A 139 -8.843 3.021 1.514 1.00 0.00 C ATOM 1155 O SER A 139 -9.129 3.445 0.395 1.00 0.00 O ATOM 1156 CB SER A 139 -8.576 5.169 2.769 1.00 0.00 C ATOM 1157 OG SER A 139 -9.681 5.012 3.642 1.00 0.00 O ATOM 0 H SER A 139 -6.524 4.873 1.309 1.00 0.00 H new ATOM 0 HA SER A 139 -7.805 3.254 3.370 1.00 0.00 H new ATOM 0 HB2 SER A 139 -7.837 5.826 3.227 1.00 0.00 H new ATOM 0 HB3 SER A 139 -8.902 5.650 1.847 1.00 0.00 H new ATOM 0 HG SER A 139 -10.073 5.889 3.835 1.00 0.00 H new ATOM 1163 N HIS A 140 -9.293 1.862 1.985 1.00 0.00 N ATOM 1164 CA HIS A 140 -10.169 1.004 1.196 1.00 0.00 C ATOM 1165 C HIS A 140 -11.548 1.637 1.035 1.00 0.00 C ATOM 1166 O HIS A 140 -12.076 1.727 -0.072 1.00 0.00 O ATOM 1167 CB HIS A 140 -10.300 -0.370 1.852 1.00 0.00 C ATOM 1168 CG HIS A 140 -9.009 -0.898 2.398 1.00 0.00 C ATOM 1169 ND1 HIS A 140 -8.690 -0.869 3.739 1.00 0.00 N ATOM 1170 CD2 HIS A 140 -7.954 -1.474 1.774 1.00 0.00 C ATOM 1171 CE1 HIS A 140 -7.494 -1.402 3.917 1.00 0.00 C ATOM 1172 NE2 HIS A 140 -7.026 -1.777 2.740 1.00 0.00 N ATOM 0 H HIS A 140 -9.065 1.496 2.909 1.00 0.00 H new ATOM 0 HA HIS A 140 -9.725 0.885 0.208 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -11.029 -0.310 2.660 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -10.692 -1.077 1.121 1.00 0.00 H new ATOM 0 HD1 HIS A 140 -9.284 -0.495 4.478 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -7.860 -1.660 0.714 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -6.986 -1.512 4.864 1.00 0.00 H new