USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 495 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 33 LYS NZ :NH3+ -109:sc= 0.0313 (180deg=-0.705) USER MOD Set 1.2: A 59 LYS NZ :NH3+ 163:sc= -0.617 (180deg=-1.23) USER MOD Single : A 10 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00624) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot -10:sc= -2.06 USER MOD Single : A 38 LYS NZ :NH3+ -148:sc= 0.0803 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 142:sc= 0.0173 (180deg=-0.41) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 93 N LEU A 7 -7.199 -0.979 7.349 1.00 0.00 N ATOM 94 CA LEU A 7 -6.552 -0.655 6.082 1.00 0.00 C ATOM 95 C LEU A 7 -5.143 -0.112 6.306 1.00 0.00 C ATOM 96 O LEU A 7 -4.269 -0.255 5.451 1.00 0.00 O ATOM 97 CB LEU A 7 -7.389 0.373 5.317 1.00 0.00 C ATOM 98 CG LEU A 7 -7.466 0.155 3.806 1.00 0.00 C ATOM 99 CD1 LEU A 7 -8.341 1.217 3.160 1.00 0.00 C ATOM 100 CD2 LEU A 7 -6.074 0.165 3.196 1.00 0.00 C ATOM 0 HA LEU A 7 -6.475 -1.571 5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.401 0.366 5.721 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.977 1.365 5.504 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.915 -0.820 3.619 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.385 1.047 2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.346 1.163 3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.920 2.203 3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.147 0.008 2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.598 1.126 3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.477 -0.632 3.639 1.00 0.00 H new ATOM 112 N GLU A 8 -4.932 0.519 7.456 1.00 0.00 N ATOM 113 CA GLU A 8 -3.633 1.093 7.788 1.00 0.00 C ATOM 114 C GLU A 8 -2.637 0.016 8.209 1.00 0.00 C ATOM 115 O GLU A 8 -1.436 0.150 7.981 1.00 0.00 O ATOM 116 CB GLU A 8 -3.781 2.127 8.905 1.00 0.00 C ATOM 117 CG GLU A 8 -4.698 3.284 8.546 1.00 0.00 C ATOM 118 CD GLU A 8 -5.129 4.083 9.759 1.00 0.00 C ATOM 119 OE1 GLU A 8 -4.318 4.217 10.700 1.00 0.00 O ATOM 120 OE2 GLU A 8 -6.276 4.578 9.769 1.00 0.00 O ATOM 0 H GLU A 8 -5.645 0.646 8.175 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.248 1.580 6.892 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.166 1.633 9.797 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.796 2.520 9.158 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.188 3.943 7.844 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.581 2.898 8.037 1.00 0.00 H new ATOM 127 N GLU A 9 -3.138 -1.045 8.832 1.00 0.00 N ATOM 128 CA GLU A 9 -2.283 -2.138 9.289 1.00 0.00 C ATOM 129 C GLU A 9 -1.868 -3.047 8.133 1.00 0.00 C ATOM 130 O GLU A 9 -0.850 -3.736 8.210 1.00 0.00 O ATOM 131 CB GLU A 9 -3.000 -2.955 10.368 1.00 0.00 C ATOM 132 CG GLU A 9 -4.156 -3.792 9.840 1.00 0.00 C ATOM 133 CD GLU A 9 -4.085 -5.237 10.293 1.00 0.00 C ATOM 134 OE1 GLU A 9 -3.814 -5.472 11.489 1.00 0.00 O ATOM 135 OE2 GLU A 9 -4.302 -6.134 9.451 1.00 0.00 O ATOM 0 H GLU A 9 -4.130 -1.173 9.033 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.379 -1.698 9.711 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.278 -3.614 10.851 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.375 -2.277 11.134 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.097 -3.356 10.174 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.157 -3.756 8.751 1.00 0.00 H new ATOM 142 N LYS A 10 -2.665 -3.054 7.069 1.00 0.00 N ATOM 143 CA LYS A 10 -2.384 -3.890 5.906 1.00 0.00 C ATOM 144 C LYS A 10 -1.128 -3.421 5.175 1.00 0.00 C ATOM 145 O LYS A 10 -0.197 -4.197 4.958 1.00 0.00 O ATOM 146 CB LYS A 10 -3.580 -3.874 4.951 1.00 0.00 C ATOM 147 CG LYS A 10 -4.157 -5.254 4.674 1.00 0.00 C ATOM 148 CD LYS A 10 -4.493 -5.434 3.203 1.00 0.00 C ATOM 149 CE LYS A 10 -5.759 -4.683 2.823 1.00 0.00 C ATOM 150 NZ LYS A 10 -5.458 -3.402 2.127 1.00 0.00 N ATOM 0 H LYS A 10 -3.511 -2.490 6.988 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.211 -4.908 6.256 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.361 -3.240 5.371 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.275 -3.421 4.008 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.441 -6.017 4.980 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.055 -5.401 5.274 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.662 -5.080 2.593 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.619 -6.495 2.985 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.373 -5.311 2.178 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.344 -4.480 3.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.348 -2.937 1.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.922 -2.778 2.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.893 -3.594 1.275 1.00 0.00 H new ATOM 164 N VAL A 11 -1.115 -2.150 4.793 1.00 0.00 N ATOM 165 CA VAL A 11 0.020 -1.575 4.078 1.00 0.00 C ATOM 166 C VAL A 11 1.238 -1.439 4.981 1.00 0.00 C ATOM 167 O VAL A 11 2.372 -1.489 4.514 1.00 0.00 O ATOM 168 CB VAL A 11 -0.324 -0.195 3.483 1.00 0.00 C ATOM 169 CG1 VAL A 11 0.801 0.294 2.583 1.00 0.00 C ATOM 170 CG2 VAL A 11 -1.639 -0.252 2.719 1.00 0.00 C ATOM 0 H VAL A 11 -1.878 -1.496 4.966 1.00 0.00 H new ATOM 0 HA VAL A 11 0.254 -2.263 3.266 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.438 0.514 4.303 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.540 1.269 2.172 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.720 0.378 3.163 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.950 -0.415 1.768 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.863 0.732 2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.557 -0.975 1.907 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.439 -0.554 3.394 1.00 0.00 H new ATOM 180 N LYS A 12 0.993 -1.263 6.269 1.00 0.00 N ATOM 181 CA LYS A 12 2.069 -1.117 7.246 1.00 0.00 C ATOM 182 C LYS A 12 2.941 -2.365 7.268 1.00 0.00 C ATOM 183 O LYS A 12 4.159 -2.282 7.418 1.00 0.00 O ATOM 184 CB LYS A 12 1.495 -0.854 8.639 1.00 0.00 C ATOM 185 CG LYS A 12 2.526 -0.355 9.638 1.00 0.00 C ATOM 186 CD LYS A 12 2.096 -0.631 11.069 1.00 0.00 C ATOM 187 CE LYS A 12 2.780 -1.868 11.628 1.00 0.00 C ATOM 188 NZ LYS A 12 1.898 -3.067 11.569 1.00 0.00 N ATOM 0 H LYS A 12 0.055 -1.217 6.668 1.00 0.00 H new ATOM 0 HA LYS A 12 2.683 -0.265 6.954 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.693 -0.120 8.560 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.049 -1.773 9.018 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.484 -0.838 9.445 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.676 0.716 9.503 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.333 0.230 11.694 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.015 -0.764 11.106 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.694 -2.062 11.067 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.074 -1.684 12.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.402 -3.888 11.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.037 -2.892 12.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.638 -3.258 10.580 1.00 0.00 H new ATOM 202 N ALA A 13 2.310 -3.521 7.090 1.00 0.00 N ATOM 203 CA ALA A 13 3.033 -4.785 7.061 1.00 0.00 C ATOM 204 C ALA A 13 3.656 -4.981 5.686 1.00 0.00 C ATOM 205 O ALA A 13 4.650 -5.689 5.525 1.00 0.00 O ATOM 206 CB ALA A 13 2.102 -5.941 7.399 1.00 0.00 C ATOM 0 H ALA A 13 1.302 -3.608 6.964 1.00 0.00 H new ATOM 0 HA ALA A 13 3.824 -4.762 7.810 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.660 -6.877 7.372 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.687 -5.794 8.396 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.292 -5.981 6.671 1.00 0.00 H new ATOM 212 N LEU A 14 3.053 -4.326 4.702 1.00 0.00 N ATOM 213 CA LEU A 14 3.507 -4.376 3.324 1.00 0.00 C ATOM 214 C LEU A 14 4.877 -3.715 3.176 1.00 0.00 C ATOM 215 O LEU A 14 5.631 -4.022 2.253 1.00 0.00 O ATOM 216 CB LEU A 14 2.478 -3.667 2.444 1.00 0.00 C ATOM 217 CG LEU A 14 2.434 -4.119 0.985 1.00 0.00 C ATOM 218 CD1 LEU A 14 0.991 -4.242 0.519 1.00 0.00 C ATOM 219 CD2 LEU A 14 3.199 -3.150 0.098 1.00 0.00 C ATOM 0 H LEU A 14 2.229 -3.741 4.842 1.00 0.00 H new ATOM 0 HA LEU A 14 3.607 -5.416 3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.490 -3.813 2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.682 -2.596 2.468 1.00 0.00 H new ATOM 0 HG LEU A 14 2.911 -5.096 0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.971 -4.565 -0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.471 -4.975 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.496 -3.275 0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.155 -3.491 -0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.753 -2.158 0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.239 -3.105 0.421 1.00 0.00 H new ATOM 231 N GLU A 15 5.182 -2.796 4.089 1.00 0.00 N ATOM 232 CA GLU A 15 6.446 -2.072 4.069 1.00 0.00 C ATOM 233 C GLU A 15 7.611 -2.983 4.446 1.00 0.00 C ATOM 234 O GLU A 15 8.642 -2.998 3.773 1.00 0.00 O ATOM 235 CB GLU A 15 6.365 -0.869 5.019 1.00 0.00 C ATOM 236 CG GLU A 15 7.706 -0.220 5.320 1.00 0.00 C ATOM 237 CD GLU A 15 7.564 1.191 5.854 1.00 0.00 C ATOM 238 OE1 GLU A 15 6.466 1.535 6.341 1.00 0.00 O ATOM 239 OE2 GLU A 15 8.550 1.954 5.788 1.00 0.00 O ATOM 0 H GLU A 15 4.564 -2.535 4.857 1.00 0.00 H new ATOM 0 HA GLU A 15 6.627 -1.715 3.055 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.702 -0.121 4.584 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.911 -1.191 5.956 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.244 -0.827 6.048 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.309 -0.202 4.412 1.00 0.00 H new ATOM 246 N GLU A 16 7.441 -3.747 5.521 1.00 0.00 N ATOM 247 CA GLU A 16 8.482 -4.663 5.981 1.00 0.00 C ATOM 248 C GLU A 16 8.996 -5.535 4.837 1.00 0.00 C ATOM 249 O GLU A 16 10.135 -6.000 4.861 1.00 0.00 O ATOM 250 CB GLU A 16 7.948 -5.550 7.108 1.00 0.00 C ATOM 251 CG GLU A 16 7.578 -4.779 8.364 1.00 0.00 C ATOM 252 CD GLU A 16 8.268 -5.315 9.604 1.00 0.00 C ATOM 253 OE1 GLU A 16 8.114 -6.520 9.896 1.00 0.00 O ATOM 254 OE2 GLU A 16 8.963 -4.530 10.283 1.00 0.00 O ATOM 0 H GLU A 16 6.594 -3.751 6.090 1.00 0.00 H new ATOM 0 HA GLU A 16 9.312 -4.064 6.356 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.071 -6.089 6.751 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.701 -6.297 7.359 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.841 -3.729 8.232 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.498 -4.822 8.507 1.00 0.00 H new ATOM 261 N LYS A 17 8.146 -5.756 3.838 1.00 0.00 N ATOM 262 CA LYS A 17 8.510 -6.575 2.688 1.00 0.00 C ATOM 263 C LYS A 17 9.430 -5.821 1.732 1.00 0.00 C ATOM 264 O LYS A 17 10.410 -6.375 1.237 1.00 0.00 O ATOM 265 CB LYS A 17 7.252 -7.029 1.944 1.00 0.00 C ATOM 266 CG LYS A 17 7.500 -8.171 0.971 1.00 0.00 C ATOM 267 CD LYS A 17 6.970 -9.492 1.509 1.00 0.00 C ATOM 268 CE LYS A 17 7.980 -10.613 1.331 1.00 0.00 C ATOM 269 NZ LYS A 17 7.320 -11.945 1.234 1.00 0.00 N ATOM 0 H LYS A 17 7.199 -5.378 3.803 1.00 0.00 H new ATOM 0 HA LYS A 17 9.048 -7.447 3.060 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.502 -7.339 2.671 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.837 -6.182 1.399 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.021 -7.948 0.018 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.569 -8.259 0.778 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.728 -9.384 2.566 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.044 -9.750 0.995 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.568 -10.433 0.431 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.675 -10.612 2.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.043 -12.683 1.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.780 -12.129 2.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.676 -11.955 0.418 1.00 0.00 H new ATOM 283 N VAL A 18 9.104 -4.558 1.469 1.00 0.00 N ATOM 284 CA VAL A 18 9.899 -3.734 0.561 1.00 0.00 C ATOM 285 C VAL A 18 11.160 -3.222 1.237 1.00 0.00 C ATOM 286 O VAL A 18 12.241 -3.243 0.647 1.00 0.00 O ATOM 287 CB VAL A 18 9.101 -2.531 0.025 1.00 0.00 C ATOM 288 CG1 VAL A 18 9.743 -1.989 -1.243 1.00 0.00 C ATOM 289 CG2 VAL A 18 7.649 -2.911 -0.228 1.00 0.00 C ATOM 0 H VAL A 18 8.296 -4.083 1.871 1.00 0.00 H new ATOM 0 HA VAL A 18 10.170 -4.379 -0.275 1.00 0.00 H new ATOM 0 HB VAL A 18 9.117 -1.747 0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.166 -1.139 -1.608 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.762 -1.670 -1.027 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.761 -2.769 -2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.107 -2.044 -0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.606 -3.715 -0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.193 -3.246 0.704 1.00 0.00 H new ATOM 299 N LYS A 19 11.028 -2.764 2.478 1.00 0.00 N ATOM 300 CA LYS A 19 12.173 -2.254 3.221 1.00 0.00 C ATOM 301 C LYS A 19 13.336 -3.240 3.165 1.00 0.00 C ATOM 302 O LYS A 19 14.500 -2.845 3.081 1.00 0.00 O ATOM 303 CB LYS A 19 11.792 -1.982 4.677 1.00 0.00 C ATOM 304 CG LYS A 19 10.663 -0.977 4.833 1.00 0.00 C ATOM 305 CD LYS A 19 10.903 -0.045 6.009 1.00 0.00 C ATOM 306 CE LYS A 19 11.551 1.256 5.565 1.00 0.00 C ATOM 307 NZ LYS A 19 12.419 1.834 6.629 1.00 0.00 N ATOM 0 H LYS A 19 10.145 -2.736 2.987 1.00 0.00 H new ATOM 0 HA LYS A 19 12.485 -1.318 2.757 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.500 -2.920 5.149 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.669 -1.616 5.211 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.567 -0.392 3.918 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.721 -1.506 4.974 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.956 0.169 6.504 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.541 -0.539 6.742 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.145 1.079 4.668 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.777 1.975 5.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.843 2.720 6.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.848 2.027 7.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.173 1.159 6.867 1.00 0.00 H new ATOM 321 N ALA A 20 13.005 -4.528 3.196 1.00 0.00 N ATOM 322 CA ALA A 20 14.014 -5.582 3.134 1.00 0.00 C ATOM 323 C ALA A 20 14.247 -6.025 1.692 1.00 0.00 C ATOM 324 O ALA A 20 15.187 -6.763 1.398 1.00 0.00 O ATOM 325 CB ALA A 20 13.594 -6.766 3.991 1.00 0.00 C ATOM 0 H ALA A 20 12.046 -4.867 3.264 1.00 0.00 H new ATOM 0 HA ALA A 20 14.951 -5.183 3.524 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.356 -7.544 3.935 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.480 -6.444 5.026 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.645 -7.160 3.627 1.00 0.00 H new ATOM 331 N LEU A 21 13.372 -5.572 0.801 1.00 0.00 N ATOM 332 CA LEU A 21 13.450 -5.911 -0.614 1.00 0.00 C ATOM 333 C LEU A 21 14.612 -5.188 -1.289 1.00 0.00 C ATOM 334 O LEU A 21 15.387 -5.795 -2.029 1.00 0.00 O ATOM 335 CB LEU A 21 12.128 -5.544 -1.293 1.00 0.00 C ATOM 336 CG LEU A 21 11.883 -6.155 -2.674 1.00 0.00 C ATOM 337 CD1 LEU A 21 12.414 -7.580 -2.747 1.00 0.00 C ATOM 338 CD2 LEU A 21 10.398 -6.122 -3.000 1.00 0.00 C ATOM 0 H LEU A 21 12.591 -4.961 1.039 1.00 0.00 H new ATOM 0 HA LEU A 21 13.626 -6.982 -0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.311 -5.844 -0.636 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.081 -4.459 -1.386 1.00 0.00 H new ATOM 0 HG LEU A 21 12.422 -5.561 -3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.226 -7.988 -3.740 1.00 0.00 H new ATOM 0 HD12 LEU A 21 13.487 -7.579 -2.553 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.911 -8.195 -2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 21 10.232 -6.559 -3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.849 -6.694 -2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.048 -5.090 -2.997 1.00 0.00 H new ATOM 371 N GLY A 25 14.490 -1.367 -9.835 1.00 0.00 N ATOM 372 CA GLY A 25 13.510 -1.094 -10.870 1.00 0.00 C ATOM 373 C GLY A 25 12.085 -1.198 -10.362 1.00 0.00 C ATOM 374 O GLY A 25 11.504 -0.207 -9.918 1.00 0.00 O ATOM 0 HA2 GLY A 25 13.678 -0.094 -11.270 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.651 -1.794 -11.693 1.00 0.00 H new ATOM 378 N ARG A 26 11.520 -2.400 -10.428 1.00 0.00 N ATOM 379 CA ARG A 26 10.154 -2.628 -9.971 1.00 0.00 C ATOM 380 C ARG A 26 9.999 -2.249 -8.500 1.00 0.00 C ATOM 381 O ARG A 26 8.914 -1.881 -8.055 1.00 0.00 O ATOM 382 CB ARG A 26 9.753 -4.093 -10.187 1.00 0.00 C ATOM 383 CG ARG A 26 10.339 -5.051 -9.160 1.00 0.00 C ATOM 384 CD ARG A 26 11.848 -5.157 -9.299 1.00 0.00 C ATOM 385 NE ARG A 26 12.371 -6.374 -8.683 1.00 0.00 N ATOM 386 CZ ARG A 26 13.579 -6.874 -8.935 1.00 0.00 C ATOM 387 NH1 ARG A 26 14.399 -6.256 -9.776 1.00 0.00 N ATOM 388 NH2 ARG A 26 13.968 -7.993 -8.342 1.00 0.00 N ATOM 0 H ARG A 26 11.987 -3.230 -10.793 1.00 0.00 H new ATOM 0 HA ARG A 26 9.492 -1.993 -10.559 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.666 -4.169 -10.162 1.00 0.00 H new ATOM 0 HB3 ARG A 26 10.071 -4.404 -11.182 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.088 -4.709 -8.156 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.891 -6.037 -9.282 1.00 0.00 H new ATOM 0 HD2 ARG A 26 12.117 -5.141 -10.355 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.316 -4.287 -8.838 1.00 0.00 H new ATOM 0 HE ARG A 26 11.775 -6.870 -8.020 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.105 -5.393 -10.233 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.323 -6.644 -9.965 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.342 -8.471 -7.693 1.00 0.00 H new ATOM 0 HH22 ARG A 26 14.893 -8.377 -8.534 1.00 0.00 H new ATOM 402 N ILE A 27 11.092 -2.347 -7.752 1.00 0.00 N ATOM 403 CA ILE A 27 11.079 -2.020 -6.333 1.00 0.00 C ATOM 404 C ILE A 27 10.996 -0.513 -6.117 1.00 0.00 C ATOM 405 O ILE A 27 10.454 -0.049 -5.114 1.00 0.00 O ATOM 406 CB ILE A 27 12.332 -2.567 -5.620 1.00 0.00 C ATOM 407 CG1 ILE A 27 12.459 -4.074 -5.846 1.00 0.00 C ATOM 408 CG2 ILE A 27 12.279 -2.256 -4.130 1.00 0.00 C ATOM 409 CD1 ILE A 27 13.846 -4.613 -5.571 1.00 0.00 C ATOM 0 H ILE A 27 11.999 -2.651 -8.106 1.00 0.00 H new ATOM 0 HA ILE A 27 10.194 -2.492 -5.906 1.00 0.00 H new ATOM 0 HB ILE A 27 13.209 -2.077 -6.043 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.744 -4.591 -5.206 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.187 -4.303 -6.876 1.00 0.00 H new ATOM 0 HG21 ILE A 27 13.172 -2.650 -3.644 1.00 0.00 H new ATOM 0 HG22 ILE A 27 12.233 -1.177 -3.985 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.394 -2.719 -3.693 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.861 -5.688 -5.752 1.00 0.00 H new ATOM 0 HD12 ILE A 27 14.564 -4.124 -6.230 1.00 0.00 H new ATOM 0 HD13 ILE A 27 14.114 -4.416 -4.533 1.00 0.00 H new ATOM 421 N GLU A 28 11.545 0.245 -7.061 1.00 0.00 N ATOM 422 CA GLU A 28 11.542 1.701 -6.973 1.00 0.00 C ATOM 423 C GLU A 28 10.126 2.266 -7.058 1.00 0.00 C ATOM 424 O GLU A 28 9.690 2.998 -6.173 1.00 0.00 O ATOM 425 CB GLU A 28 12.407 2.297 -8.083 1.00 0.00 C ATOM 426 CG GLU A 28 13.879 2.404 -7.717 1.00 0.00 C ATOM 427 CD GLU A 28 14.303 3.829 -7.419 1.00 0.00 C ATOM 428 OE1 GLU A 28 13.913 4.735 -8.185 1.00 0.00 O ATOM 429 OE2 GLU A 28 15.024 4.038 -6.421 1.00 0.00 O ATOM 0 H GLU A 28 11.998 -0.125 -7.896 1.00 0.00 H new ATOM 0 HA GLU A 28 11.956 1.975 -6.003 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.308 1.684 -8.978 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.030 3.289 -8.333 1.00 0.00 H new ATOM 0 HG2 GLU A 28 14.080 1.779 -6.846 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.483 2.013 -8.536 1.00 0.00 H new ATOM 436 N GLU A 29 9.417 1.931 -8.132 1.00 0.00 N ATOM 437 CA GLU A 29 8.053 2.419 -8.330 1.00 0.00 C ATOM 438 C GLU A 29 7.142 1.996 -7.183 1.00 0.00 C ATOM 439 O GLU A 29 6.243 2.736 -6.785 1.00 0.00 O ATOM 440 CB GLU A 29 7.492 1.898 -9.659 1.00 0.00 C ATOM 441 CG GLU A 29 6.021 2.233 -9.877 1.00 0.00 C ATOM 442 CD GLU A 29 5.762 2.869 -11.229 1.00 0.00 C ATOM 443 OE1 GLU A 29 5.769 2.135 -12.240 1.00 0.00 O ATOM 444 OE2 GLU A 29 5.552 4.099 -11.276 1.00 0.00 O ATOM 0 H GLU A 29 9.762 1.326 -8.877 1.00 0.00 H new ATOM 0 HA GLU A 29 8.088 3.508 -8.354 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.076 2.317 -10.479 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.619 0.816 -9.697 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.428 1.323 -9.788 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.686 2.910 -9.091 1.00 0.00 H new ATOM 451 N LEU A 30 7.371 0.796 -6.664 1.00 0.00 N ATOM 452 CA LEU A 30 6.562 0.266 -5.574 1.00 0.00 C ATOM 453 C LEU A 30 6.831 0.997 -4.259 1.00 0.00 C ATOM 454 O LEU A 30 6.008 0.966 -3.348 1.00 0.00 O ATOM 455 CB LEU A 30 6.826 -1.230 -5.402 1.00 0.00 C ATOM 456 CG LEU A 30 6.363 -2.105 -6.568 1.00 0.00 C ATOM 457 CD1 LEU A 30 6.848 -3.536 -6.388 1.00 0.00 C ATOM 458 CD2 LEU A 30 4.848 -2.064 -6.696 1.00 0.00 C ATOM 0 H LEU A 30 8.112 0.171 -6.981 1.00 0.00 H new ATOM 0 HA LEU A 30 5.515 0.424 -5.834 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.896 -1.381 -5.256 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.330 -1.569 -4.493 1.00 0.00 H new ATOM 0 HG LEU A 30 6.796 -1.711 -7.488 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.509 -4.143 -7.227 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.937 -3.549 -6.348 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.446 -3.942 -5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.536 -2.692 -7.531 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.395 -2.432 -5.776 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.526 -1.038 -6.874 1.00 0.00 H new ATOM 470 N LYS A 31 7.990 1.639 -4.160 1.00 0.00 N ATOM 471 CA LYS A 31 8.363 2.359 -2.946 1.00 0.00 C ATOM 472 C LYS A 31 7.611 3.682 -2.819 1.00 0.00 C ATOM 473 O LYS A 31 6.936 3.922 -1.823 1.00 0.00 O ATOM 474 CB LYS A 31 9.870 2.616 -2.930 1.00 0.00 C ATOM 475 CG LYS A 31 10.354 3.322 -1.674 1.00 0.00 C ATOM 476 CD LYS A 31 11.611 2.673 -1.118 1.00 0.00 C ATOM 477 CE LYS A 31 11.285 1.696 0.000 1.00 0.00 C ATOM 478 NZ LYS A 31 12.463 0.868 0.376 1.00 0.00 N ATOM 0 H LYS A 31 8.687 1.676 -4.904 1.00 0.00 H new ATOM 0 HA LYS A 31 8.089 1.735 -2.095 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.393 1.665 -3.026 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.137 3.216 -3.800 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.553 4.370 -1.899 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.568 3.302 -0.919 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.136 2.151 -1.918 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.285 3.444 -0.744 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.935 2.247 0.873 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.469 1.045 -0.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.199 0.215 1.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.782 0.322 -0.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.233 1.487 0.700 1.00 0.00 H new ATOM 492 N LYS A 32 7.744 4.542 -3.820 1.00 0.00 N ATOM 493 CA LYS A 32 7.087 5.848 -3.806 1.00 0.00 C ATOM 494 C LYS A 32 5.580 5.723 -3.590 1.00 0.00 C ATOM 495 O LYS A 32 4.987 6.500 -2.842 1.00 0.00 O ATOM 496 CB LYS A 32 7.362 6.589 -5.116 1.00 0.00 C ATOM 497 CG LYS A 32 8.792 7.085 -5.244 1.00 0.00 C ATOM 498 CD LYS A 32 8.951 8.021 -6.431 1.00 0.00 C ATOM 499 CE LYS A 32 8.812 7.279 -7.751 1.00 0.00 C ATOM 500 NZ LYS A 32 9.922 7.602 -8.690 1.00 0.00 N ATOM 0 H LYS A 32 8.301 4.361 -4.655 1.00 0.00 H new ATOM 0 HA LYS A 32 7.499 6.414 -2.971 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.140 5.926 -5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.683 7.438 -5.193 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.082 7.602 -4.330 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.465 6.235 -5.357 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.201 8.810 -6.376 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.927 8.505 -6.386 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.796 6.205 -7.564 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.859 7.536 -8.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.790 7.076 -9.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.922 8.623 -8.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.830 7.333 -8.260 1.00 0.00 H new ATOM 514 N LYS A 33 4.965 4.754 -4.257 1.00 0.00 N ATOM 515 CA LYS A 33 3.524 4.538 -4.144 1.00 0.00 C ATOM 516 C LYS A 33 3.151 3.919 -2.798 1.00 0.00 C ATOM 517 O LYS A 33 2.022 4.067 -2.331 1.00 0.00 O ATOM 518 CB LYS A 33 3.033 3.645 -5.287 1.00 0.00 C ATOM 519 CG LYS A 33 1.815 4.198 -6.009 1.00 0.00 C ATOM 520 CD LYS A 33 0.826 3.098 -6.360 1.00 0.00 C ATOM 521 CE LYS A 33 0.214 2.481 -5.113 1.00 0.00 C ATOM 522 NZ LYS A 33 -1.124 3.057 -4.808 1.00 0.00 N ATOM 0 H LYS A 33 5.440 4.104 -4.883 1.00 0.00 H new ATOM 0 HA LYS A 33 3.037 5.511 -4.210 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.842 3.511 -6.006 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.793 2.659 -4.890 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.325 4.942 -5.380 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.131 4.708 -6.919 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.036 3.505 -6.991 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.330 2.325 -6.940 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.123 1.403 -5.248 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.880 2.641 -4.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.059 3.657 -3.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.447 3.630 -5.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.802 2.288 -4.636 1.00 0.00 H new ATOM 536 N CYS A 34 4.096 3.210 -2.190 1.00 0.00 N ATOM 537 CA CYS A 34 3.860 2.552 -0.907 1.00 0.00 C ATOM 538 C CYS A 34 3.534 3.555 0.196 1.00 0.00 C ATOM 539 O CYS A 34 2.490 3.468 0.842 1.00 0.00 O ATOM 540 CB CYS A 34 5.104 1.758 -0.507 1.00 0.00 C ATOM 541 SG CYS A 34 4.766 0.040 -0.007 1.00 0.00 S ATOM 0 H CYS A 34 5.035 3.075 -2.565 1.00 0.00 H new ATOM 0 HA CYS A 34 3.003 1.890 -1.027 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.801 1.750 -1.345 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.601 2.273 0.316 1.00 0.00 H new ATOM 0 HG CYS A 34 3.483 -0.131 0.119 1.00 0.00 H new ATOM 546 N GLU A 35 4.448 4.491 0.420 1.00 0.00 N ATOM 547 CA GLU A 35 4.278 5.499 1.463 1.00 0.00 C ATOM 548 C GLU A 35 3.120 6.445 1.158 1.00 0.00 C ATOM 549 O GLU A 35 2.233 6.629 1.987 1.00 0.00 O ATOM 550 CB GLU A 35 5.571 6.295 1.655 1.00 0.00 C ATOM 551 CG GLU A 35 6.173 6.793 0.356 1.00 0.00 C ATOM 552 CD GLU A 35 6.498 8.274 0.391 1.00 0.00 C ATOM 553 OE1 GLU A 35 5.623 9.065 0.802 1.00 0.00 O ATOM 554 OE2 GLU A 35 7.628 8.643 0.007 1.00 0.00 O ATOM 0 H GLU A 35 5.317 4.574 -0.107 1.00 0.00 H new ATOM 0 HA GLU A 35 4.041 4.972 2.387 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.370 7.148 2.304 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.301 5.669 2.168 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.082 6.231 0.143 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.478 6.597 -0.460 1.00 0.00 H new ATOM 561 N GLU A 36 3.130 7.045 -0.027 1.00 0.00 N ATOM 562 CA GLU A 36 2.076 7.974 -0.427 1.00 0.00 C ATOM 563 C GLU A 36 0.692 7.378 -0.179 1.00 0.00 C ATOM 564 O GLU A 36 -0.278 8.101 0.047 1.00 0.00 O ATOM 565 CB GLU A 36 2.226 8.346 -1.904 1.00 0.00 C ATOM 566 CG GLU A 36 1.715 9.739 -2.234 1.00 0.00 C ATOM 567 CD GLU A 36 1.704 10.017 -3.724 1.00 0.00 C ATOM 568 OE1 GLU A 36 0.827 9.468 -4.424 1.00 0.00 O ATOM 569 OE2 GLU A 36 2.571 10.785 -4.191 1.00 0.00 O ATOM 0 H GLU A 36 3.857 6.905 -0.729 1.00 0.00 H new ATOM 0 HA GLU A 36 2.176 8.874 0.180 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.278 8.278 -2.182 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.688 7.617 -2.510 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.706 9.855 -1.839 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.340 10.479 -1.734 1.00 0.00 H new ATOM 576 N LEU A 37 0.613 6.056 -0.236 1.00 0.00 N ATOM 577 CA LEU A 37 -0.642 5.346 -0.031 1.00 0.00 C ATOM 578 C LEU A 37 -1.081 5.395 1.433 1.00 0.00 C ATOM 579 O LEU A 37 -2.268 5.522 1.730 1.00 0.00 O ATOM 580 CB LEU A 37 -0.487 3.892 -0.490 1.00 0.00 C ATOM 581 CG LEU A 37 -1.627 2.942 -0.106 1.00 0.00 C ATOM 582 CD1 LEU A 37 -2.983 3.615 -0.284 1.00 0.00 C ATOM 583 CD2 LEU A 37 -1.551 1.663 -0.931 1.00 0.00 C ATOM 0 H LEU A 37 1.411 5.449 -0.424 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.415 5.837 -0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.383 3.883 -1.575 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.442 3.498 -0.078 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.516 2.685 0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.774 2.919 -0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.037 4.499 0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.109 3.909 -1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.367 0.998 -0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.634 1.908 -1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.598 1.167 -0.747 1.00 0.00 H new ATOM 595 N LYS A 38 -0.118 5.283 2.342 1.00 0.00 N ATOM 596 CA LYS A 38 -0.410 5.302 3.774 1.00 0.00 C ATOM 597 C LYS A 38 -1.008 6.639 4.212 1.00 0.00 C ATOM 598 O LYS A 38 -2.109 6.685 4.760 1.00 0.00 O ATOM 599 CB LYS A 38 0.862 5.015 4.576 1.00 0.00 C ATOM 600 CG LYS A 38 1.021 3.551 4.959 1.00 0.00 C ATOM 601 CD LYS A 38 1.291 3.385 6.447 1.00 0.00 C ATOM 602 CE LYS A 38 2.310 2.288 6.711 1.00 0.00 C ATOM 603 NZ LYS A 38 3.616 2.841 7.165 1.00 0.00 N ATOM 0 H LYS A 38 0.871 5.178 2.115 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.148 4.524 3.969 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.728 5.326 3.992 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.855 5.621 5.482 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.117 3.004 4.690 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.840 3.113 4.389 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.654 4.327 6.859 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.360 3.149 6.962 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.922 1.606 7.468 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.459 1.704 5.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.387 2.229 6.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.741 3.798 6.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.633 2.883 8.204 1.00 0.00 H new ATOM 617 N LYS A 39 -0.272 7.721 3.979 1.00 0.00 N ATOM 618 CA LYS A 39 -0.723 9.058 4.358 1.00 0.00 C ATOM 619 C LYS A 39 -2.130 9.342 3.837 1.00 0.00 C ATOM 620 O LYS A 39 -2.872 10.126 4.429 1.00 0.00 O ATOM 621 CB LYS A 39 0.253 10.114 3.834 1.00 0.00 C ATOM 622 CG LYS A 39 0.240 10.262 2.321 1.00 0.00 C ATOM 623 CD LYS A 39 1.609 10.656 1.789 1.00 0.00 C ATOM 624 CE LYS A 39 2.088 11.969 2.388 1.00 0.00 C ATOM 625 NZ LYS A 39 3.480 11.866 2.906 1.00 0.00 N ATOM 0 H LYS A 39 0.643 7.699 3.528 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.752 9.103 5.447 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.011 11.076 4.286 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.262 9.855 4.156 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.072 9.323 1.865 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.494 11.015 2.034 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.328 9.869 2.016 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.566 10.745 0.704 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.039 12.753 1.632 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.420 12.264 3.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.770 12.781 3.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.522 11.136 3.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.122 11.609 2.129 1.00 0.00 H new ATOM 639 N LYS A 40 -2.490 8.705 2.729 1.00 0.00 N ATOM 640 CA LYS A 40 -3.808 8.896 2.133 1.00 0.00 C ATOM 641 C LYS A 40 -4.897 8.283 3.008 1.00 0.00 C ATOM 642 O LYS A 40 -6.036 8.746 3.010 1.00 0.00 O ATOM 643 CB LYS A 40 -3.853 8.284 0.732 1.00 0.00 C ATOM 644 CG LYS A 40 -4.727 9.059 -0.243 1.00 0.00 C ATOM 645 CD LYS A 40 -5.731 8.153 -0.939 1.00 0.00 C ATOM 646 CE LYS A 40 -7.047 8.872 -1.190 1.00 0.00 C ATOM 647 NZ LYS A 40 -6.836 10.236 -1.752 1.00 0.00 N ATOM 0 H LYS A 40 -1.889 8.053 2.225 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.992 9.968 2.057 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.839 8.231 0.335 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.222 7.261 0.803 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.257 9.848 0.291 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.098 9.546 -0.988 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.317 7.808 -1.886 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.909 7.268 -0.328 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.656 8.286 -1.879 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.604 8.946 -0.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.569 10.436 -2.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.893 10.939 -0.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.898 10.286 -2.199 1.00 0.00 H new ATOM 661 N ILE A 41 -4.541 7.243 3.755 1.00 0.00 N ATOM 662 CA ILE A 41 -5.495 6.580 4.635 1.00 0.00 C ATOM 663 C ILE A 41 -5.743 7.419 5.882 1.00 0.00 C ATOM 664 O ILE A 41 -6.842 7.416 6.438 1.00 0.00 O ATOM 665 CB ILE A 41 -5.007 5.180 5.060 1.00 0.00 C ATOM 666 CG1 ILE A 41 -4.398 4.440 3.863 1.00 0.00 C ATOM 667 CG2 ILE A 41 -6.157 4.381 5.659 1.00 0.00 C ATOM 668 CD1 ILE A 41 -3.968 3.023 4.179 1.00 0.00 C ATOM 0 H ILE A 41 -3.603 6.843 3.768 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.422 6.468 4.073 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.234 5.294 5.820 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.126 4.417 3.052 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.536 5.000 3.501 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.799 3.395 5.955 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.546 4.903 6.533 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.949 4.273 4.918 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.547 2.563 3.285 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.216 3.038 4.968 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.831 2.447 4.512 1.00 0.00 H new ATOM 680 N GLU A 42 -4.717 8.148 6.312 1.00 0.00 N ATOM 681 CA GLU A 42 -4.825 9.003 7.486 1.00 0.00 C ATOM 682 C GLU A 42 -5.764 10.170 7.208 1.00 0.00 C ATOM 683 O GLU A 42 -6.457 10.653 8.104 1.00 0.00 O ATOM 684 CB GLU A 42 -3.446 9.525 7.896 1.00 0.00 C ATOM 685 CG GLU A 42 -2.375 8.448 7.941 1.00 0.00 C ATOM 686 CD GLU A 42 -1.061 8.957 8.499 1.00 0.00 C ATOM 687 OE1 GLU A 42 -1.019 9.305 9.698 1.00 0.00 O ATOM 688 OE2 GLU A 42 -0.073 9.007 7.737 1.00 0.00 O ATOM 0 H GLU A 42 -3.801 8.162 5.863 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.233 8.412 8.306 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.138 10.302 7.196 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.521 9.992 8.878 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.727 7.616 8.551 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.213 8.060 6.936 1.00 0.00 H new ATOM 695 N GLU A 43 -5.788 10.614 5.955 1.00 0.00 N ATOM 696 CA GLU A 43 -6.649 11.717 5.550 1.00 0.00 C ATOM 697 C GLU A 43 -8.096 11.247 5.431 1.00 0.00 C ATOM 698 O GLU A 43 -9.033 12.018 5.637 1.00 0.00 O ATOM 699 CB GLU A 43 -6.166 12.312 4.221 1.00 0.00 C ATOM 700 CG GLU A 43 -6.451 11.444 3.002 1.00 0.00 C ATOM 701 CD GLU A 43 -7.079 12.227 1.864 1.00 0.00 C ATOM 702 OE1 GLU A 43 -6.894 13.461 1.819 1.00 0.00 O ATOM 703 OE2 GLU A 43 -7.756 11.605 1.019 1.00 0.00 O ATOM 0 H GLU A 43 -5.220 10.225 5.202 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.601 12.493 6.314 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.639 13.284 4.079 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.092 12.487 4.284 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.521 10.991 2.657 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.116 10.629 3.288 1.00 0.00 H new ATOM 710 N LEU A 44 -8.262 9.974 5.094 1.00 0.00 N ATOM 711 CA LEU A 44 -9.583 9.379 4.942 1.00 0.00 C ATOM 712 C LEU A 44 -10.310 9.314 6.281 1.00 0.00 C ATOM 713 O LEU A 44 -9.773 9.721 7.311 1.00 0.00 O ATOM 714 CB LEU A 44 -9.459 7.975 4.344 1.00 0.00 C ATOM 715 CG LEU A 44 -9.441 7.920 2.815 1.00 0.00 C ATOM 716 CD1 LEU A 44 -9.165 6.504 2.335 1.00 0.00 C ATOM 717 CD2 LEU A 44 -10.758 8.429 2.250 1.00 0.00 C ATOM 0 H LEU A 44 -7.491 9.330 4.920 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.165 10.007 4.268 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.544 7.517 4.719 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.290 7.369 4.704 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.639 8.565 2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.156 6.485 1.245 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.197 6.174 2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.944 5.837 2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.729 8.383 1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.576 7.809 2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.915 9.460 2.566 1.00 0.00 H new ATOM 757 N GLU A 49 -14.819 7.359 -0.163 1.00 0.00 N ATOM 758 CA GLU A 49 -13.559 7.381 -0.898 1.00 0.00 C ATOM 759 C GLU A 49 -12.674 6.201 -0.504 1.00 0.00 C ATOM 760 O GLU A 49 -11.812 5.778 -1.273 1.00 0.00 O ATOM 761 CB GLU A 49 -12.819 8.695 -0.643 1.00 0.00 C ATOM 762 CG GLU A 49 -11.531 8.831 -1.439 1.00 0.00 C ATOM 763 CD GLU A 49 -11.626 9.882 -2.529 1.00 0.00 C ATOM 764 OE1 GLU A 49 -11.613 11.085 -2.195 1.00 0.00 O ATOM 765 OE2 GLU A 49 -11.712 9.502 -3.715 1.00 0.00 O ATOM 0 HA GLU A 49 -13.788 7.300 -1.961 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.478 9.527 -0.889 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.590 8.773 0.420 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.716 9.087 -0.762 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.282 7.869 -1.888 1.00 0.00 H new ATOM 772 N VAL A 50 -12.892 5.675 0.698 1.00 0.00 N ATOM 773 CA VAL A 50 -12.111 4.545 1.194 1.00 0.00 C ATOM 774 C VAL A 50 -12.144 3.373 0.216 1.00 0.00 C ATOM 775 O VAL A 50 -11.245 2.533 0.212 1.00 0.00 O ATOM 776 CB VAL A 50 -12.625 4.067 2.565 1.00 0.00 C ATOM 777 CG1 VAL A 50 -11.685 3.028 3.157 1.00 0.00 C ATOM 778 CG2 VAL A 50 -12.793 5.246 3.512 1.00 0.00 C ATOM 0 H VAL A 50 -13.603 6.013 1.347 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.084 4.896 1.298 1.00 0.00 H new ATOM 0 HB VAL A 50 -13.600 3.601 2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -12.065 2.703 4.125 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.621 2.171 2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.694 3.464 3.284 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -13.157 4.890 4.476 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -11.833 5.743 3.648 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -13.510 5.951 3.092 1.00 0.00 H new ATOM 788 N LYS A 51 -13.185 3.319 -0.610 1.00 0.00 N ATOM 789 CA LYS A 51 -13.328 2.246 -1.589 1.00 0.00 C ATOM 790 C LYS A 51 -12.239 2.331 -2.654 1.00 0.00 C ATOM 791 O LYS A 51 -11.738 1.309 -3.124 1.00 0.00 O ATOM 792 CB LYS A 51 -14.709 2.309 -2.244 1.00 0.00 C ATOM 793 CG LYS A 51 -15.709 1.328 -1.651 1.00 0.00 C ATOM 794 CD LYS A 51 -16.537 1.976 -0.553 1.00 0.00 C ATOM 795 CE LYS A 51 -17.821 1.204 -0.297 1.00 0.00 C ATOM 796 NZ LYS A 51 -18.765 1.965 0.566 1.00 0.00 N ATOM 0 H LYS A 51 -13.940 4.004 -0.621 1.00 0.00 H new ATOM 0 HA LYS A 51 -13.224 1.294 -1.068 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -15.103 3.321 -2.146 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.606 2.110 -3.311 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -16.369 0.959 -2.436 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.179 0.465 -1.248 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.951 2.026 0.365 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.777 3.002 -0.834 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -18.303 0.975 -1.248 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -17.583 0.252 0.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -19.628 1.404 0.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -18.316 2.161 1.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -19.012 2.863 0.103 1.00 0.00 H new ATOM 810 N LYS A 52 -11.878 3.553 -3.031 1.00 0.00 N ATOM 811 CA LYS A 52 -10.848 3.768 -4.042 1.00 0.00 C ATOM 812 C LYS A 52 -9.470 3.400 -3.501 1.00 0.00 C ATOM 813 O LYS A 52 -8.773 2.560 -4.071 1.00 0.00 O ATOM 814 CB LYS A 52 -10.861 5.229 -4.504 1.00 0.00 C ATOM 815 CG LYS A 52 -9.687 5.601 -5.395 1.00 0.00 C ATOM 816 CD LYS A 52 -9.950 6.891 -6.157 1.00 0.00 C ATOM 817 CE LYS A 52 -9.480 6.793 -7.599 1.00 0.00 C ATOM 818 NZ LYS A 52 -9.278 8.136 -8.210 1.00 0.00 N ATOM 0 H LYS A 52 -12.283 4.409 -2.652 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.064 3.123 -4.894 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.789 5.422 -5.042 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.860 5.877 -3.628 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.789 5.713 -4.787 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.495 4.793 -6.101 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.016 7.116 -6.135 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.439 7.717 -5.662 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.546 6.232 -7.639 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.213 6.235 -8.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.958 8.025 -9.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.175 8.663 -8.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.560 8.659 -7.669 1.00 0.00 H new ATOM 832 N VAL A 53 -9.082 4.036 -2.399 1.00 0.00 N ATOM 833 CA VAL A 53 -7.785 3.778 -1.779 1.00 0.00 C ATOM 834 C VAL A 53 -7.550 2.284 -1.577 1.00 0.00 C ATOM 835 O VAL A 53 -6.409 1.827 -1.537 1.00 0.00 O ATOM 836 CB VAL A 53 -7.661 4.493 -0.419 1.00 0.00 C ATOM 837 CG1 VAL A 53 -6.240 4.391 0.110 1.00 0.00 C ATOM 838 CG2 VAL A 53 -8.091 5.947 -0.541 1.00 0.00 C ATOM 0 H VAL A 53 -9.647 4.734 -1.916 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.030 4.169 -2.461 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.324 4.001 0.293 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.172 4.901 1.071 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.973 3.342 0.237 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.554 4.857 -0.598 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.997 6.437 0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.456 6.455 -1.267 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -9.129 5.993 -0.872 1.00 0.00 H new ATOM 848 N GLU A 54 -8.637 1.528 -1.452 1.00 0.00 N ATOM 849 CA GLU A 54 -8.543 0.085 -1.259 1.00 0.00 C ATOM 850 C GLU A 54 -7.938 -0.581 -2.490 1.00 0.00 C ATOM 851 O GLU A 54 -7.234 -1.585 -2.384 1.00 0.00 O ATOM 852 CB GLU A 54 -9.925 -0.504 -0.973 1.00 0.00 C ATOM 853 CG GLU A 54 -10.247 -0.606 0.510 1.00 0.00 C ATOM 854 CD GLU A 54 -11.098 -1.816 0.839 1.00 0.00 C ATOM 855 OE1 GLU A 54 -12.330 -1.744 0.647 1.00 0.00 O ATOM 856 OE2 GLU A 54 -10.533 -2.835 1.289 1.00 0.00 O ATOM 0 H GLU A 54 -9.590 1.890 -1.481 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.894 -0.105 -0.404 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.681 0.112 -1.459 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.987 -1.497 -1.419 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.318 -0.655 1.077 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.768 0.297 0.828 1.00 0.00 H new ATOM 863 N GLU A 55 -8.216 -0.010 -3.658 1.00 0.00 N ATOM 864 CA GLU A 55 -7.699 -0.542 -4.913 1.00 0.00 C ATOM 865 C GLU A 55 -6.238 -0.143 -5.108 1.00 0.00 C ATOM 866 O GLU A 55 -5.475 -0.849 -5.767 1.00 0.00 O ATOM 867 CB GLU A 55 -8.543 -0.041 -6.088 1.00 0.00 C ATOM 868 CG GLU A 55 -8.049 -0.523 -7.442 1.00 0.00 C ATOM 869 CD GLU A 55 -7.488 0.599 -8.294 1.00 0.00 C ATOM 870 OE1 GLU A 55 -6.501 1.232 -7.866 1.00 0.00 O ATOM 871 OE2 GLU A 55 -8.037 0.845 -9.388 1.00 0.00 O ATOM 0 H GLU A 55 -8.797 0.822 -3.761 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.757 -1.630 -4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.574 -0.368 -5.949 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.550 1.049 -6.080 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.280 -1.281 -7.295 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.871 -1.002 -7.974 1.00 0.00 H new ATOM 878 N GLU A 56 -5.857 0.991 -4.528 1.00 0.00 N ATOM 879 CA GLU A 56 -4.489 1.484 -4.634 1.00 0.00 C ATOM 880 C GLU A 56 -3.527 0.583 -3.864 1.00 0.00 C ATOM 881 O GLU A 56 -2.353 0.464 -4.214 1.00 0.00 O ATOM 882 CB GLU A 56 -4.403 2.917 -4.105 1.00 0.00 C ATOM 883 CG GLU A 56 -4.772 3.969 -5.136 1.00 0.00 C ATOM 884 CD GLU A 56 -4.091 5.299 -4.880 1.00 0.00 C ATOM 885 OE1 GLU A 56 -4.020 5.714 -3.704 1.00 0.00 O ATOM 886 OE2 GLU A 56 -3.627 5.927 -5.855 1.00 0.00 O ATOM 0 H GLU A 56 -6.478 1.586 -3.979 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.202 1.475 -5.686 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.063 3.018 -3.243 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.389 3.105 -3.753 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.500 3.611 -6.129 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.853 4.112 -5.134 1.00 0.00 H new ATOM 893 N VAL A 57 -4.037 -0.054 -2.815 1.00 0.00 N ATOM 894 CA VAL A 57 -3.234 -0.949 -1.990 1.00 0.00 C ATOM 895 C VAL A 57 -3.156 -2.338 -2.615 1.00 0.00 C ATOM 896 O VAL A 57 -2.213 -3.089 -2.369 1.00 0.00 O ATOM 897 CB VAL A 57 -3.812 -1.073 -0.567 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.883 -1.887 0.320 1.00 0.00 C ATOM 899 CG2 VAL A 57 -4.061 0.303 0.032 1.00 0.00 C ATOM 0 H VAL A 57 -5.008 0.034 -2.515 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.235 -0.518 -1.931 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.767 -1.595 -0.629 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.309 -1.963 1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.762 -2.886 -0.100 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.911 -1.397 0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.469 0.194 1.037 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.122 0.854 0.080 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.771 0.848 -0.591 1.00 0.00 H new ATOM 909 N LYS A 58 -4.163 -2.674 -3.415 1.00 0.00 N ATOM 910 CA LYS A 58 -4.228 -3.971 -4.075 1.00 0.00 C ATOM 911 C LYS A 58 -3.235 -4.061 -5.232 1.00 0.00 C ATOM 912 O LYS A 58 -2.784 -5.149 -5.584 1.00 0.00 O ATOM 913 CB LYS A 58 -5.647 -4.230 -4.584 1.00 0.00 C ATOM 914 CG LYS A 58 -6.434 -5.204 -3.721 1.00 0.00 C ATOM 915 CD LYS A 58 -7.883 -4.767 -3.564 1.00 0.00 C ATOM 916 CE LYS A 58 -8.824 -5.959 -3.532 1.00 0.00 C ATOM 917 NZ LYS A 58 -10.122 -5.660 -4.198 1.00 0.00 N ATOM 0 H LYS A 58 -4.950 -2.060 -3.622 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.960 -4.732 -3.342 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.185 -3.283 -4.632 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.594 -4.619 -5.601 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.399 -6.198 -4.168 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.968 -5.280 -2.739 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.993 -4.191 -2.645 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.157 -4.108 -4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.351 -6.809 -4.024 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.005 -6.251 -2.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.736 -6.499 -4.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.586 -4.866 -3.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.952 -5.407 -5.192 1.00 0.00 H new ATOM 931 N LYS A 59 -2.917 -2.922 -5.837 1.00 0.00 N ATOM 932 CA LYS A 59 -1.993 -2.887 -6.970 1.00 0.00 C ATOM 933 C LYS A 59 -0.544 -3.097 -6.532 1.00 0.00 C ATOM 934 O LYS A 59 0.224 -3.767 -7.220 1.00 0.00 O ATOM 935 CB LYS A 59 -2.118 -1.558 -7.720 1.00 0.00 C ATOM 936 CG LYS A 59 -1.126 -1.405 -8.866 1.00 0.00 C ATOM 937 CD LYS A 59 -0.109 -0.307 -8.589 1.00 0.00 C ATOM 938 CE LYS A 59 -0.655 1.064 -8.959 1.00 0.00 C ATOM 939 NZ LYS A 59 -1.702 1.521 -8.005 1.00 0.00 N ATOM 0 H LYS A 59 -3.284 -2.010 -5.564 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.266 -3.708 -7.634 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.131 -1.467 -8.113 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.975 -0.739 -7.016 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.607 -2.350 -9.026 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.665 -1.178 -9.786 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.163 -0.319 -7.533 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.802 -0.502 -9.155 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.161 1.787 -8.976 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.072 1.029 -9.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.842 2.546 -8.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.595 1.028 -8.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.402 1.309 -7.032 1.00 0.00 H new ATOM 953 N LEU A 60 -0.167 -2.511 -5.400 1.00 0.00 N ATOM 954 CA LEU A 60 1.201 -2.635 -4.904 1.00 0.00 C ATOM 955 C LEU A 60 1.439 -3.984 -4.238 1.00 0.00 C ATOM 956 O LEU A 60 2.569 -4.463 -4.181 1.00 0.00 O ATOM 957 CB LEU A 60 1.525 -1.511 -3.923 1.00 0.00 C ATOM 958 CG LEU A 60 3.005 -1.124 -3.871 1.00 0.00 C ATOM 959 CD1 LEU A 60 3.179 0.364 -4.118 1.00 0.00 C ATOM 960 CD2 LEU A 60 3.621 -1.522 -2.539 1.00 0.00 C ATOM 0 H LEU A 60 -0.783 -1.950 -4.812 1.00 0.00 H new ATOM 0 HA LEU A 60 1.863 -2.560 -5.767 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.941 -0.631 -4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.206 -1.813 -2.925 1.00 0.00 H new ATOM 0 HG LEU A 60 3.525 -1.665 -4.661 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.238 0.618 -4.077 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.783 0.618 -5.101 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.641 0.925 -3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.673 -1.237 -2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.097 -1.014 -1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.535 -2.601 -2.406 1.00 0.00 H new ATOM 972 N GLU A 61 0.377 -4.592 -3.730 1.00 0.00 N ATOM 973 CA GLU A 61 0.480 -5.883 -3.067 1.00 0.00 C ATOM 974 C GLU A 61 0.790 -6.989 -4.074 1.00 0.00 C ATOM 975 O GLU A 61 1.665 -7.825 -3.847 1.00 0.00 O ATOM 976 CB GLU A 61 -0.826 -6.190 -2.338 1.00 0.00 C ATOM 977 CG GLU A 61 -0.630 -6.733 -0.935 1.00 0.00 C ATOM 978 CD GLU A 61 -1.428 -7.997 -0.678 1.00 0.00 C ATOM 979 OE1 GLU A 61 -2.667 -7.956 -0.824 1.00 0.00 O ATOM 980 OE2 GLU A 61 -0.812 -9.027 -0.332 1.00 0.00 O ATOM 0 H GLU A 61 -0.568 -4.210 -3.765 1.00 0.00 H new ATOM 0 HA GLU A 61 1.297 -5.840 -2.347 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.425 -5.281 -2.285 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.396 -6.913 -2.921 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.428 -6.938 -0.774 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.921 -5.971 -0.211 1.00 0.00 H new ATOM 987 N GLU A 62 0.059 -6.985 -5.183 1.00 0.00 N ATOM 988 CA GLU A 62 0.237 -7.980 -6.233 1.00 0.00 C ATOM 989 C GLU A 62 1.540 -7.758 -6.996 1.00 0.00 C ATOM 990 O GLU A 62 2.114 -8.695 -7.551 1.00 0.00 O ATOM 991 CB GLU A 62 -0.948 -7.928 -7.198 1.00 0.00 C ATOM 992 CG GLU A 62 -1.412 -9.296 -7.662 1.00 0.00 C ATOM 993 CD GLU A 62 -2.518 -9.220 -8.696 1.00 0.00 C ATOM 994 OE1 GLU A 62 -2.259 -8.709 -9.807 1.00 0.00 O ATOM 995 OE2 GLU A 62 -3.644 -9.671 -8.396 1.00 0.00 O ATOM 0 H GLU A 62 -0.668 -6.297 -5.379 1.00 0.00 H new ATOM 0 HA GLU A 62 0.286 -8.963 -5.765 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.779 -7.417 -6.713 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.672 -7.332 -8.068 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.565 -9.839 -8.081 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.763 -9.867 -6.802 1.00 0.00 H new ATOM 1002 N GLU A 63 1.999 -6.511 -7.025 1.00 0.00 N ATOM 1003 CA GLU A 63 3.229 -6.164 -7.728 1.00 0.00 C ATOM 1004 C GLU A 63 4.432 -6.879 -7.114 1.00 0.00 C ATOM 1005 O GLU A 63 5.126 -7.638 -7.791 1.00 0.00 O ATOM 1006 CB GLU A 63 3.441 -4.648 -7.695 1.00 0.00 C ATOM 1007 CG GLU A 63 3.448 -4.008 -9.073 1.00 0.00 C ATOM 1008 CD GLU A 63 4.794 -4.119 -9.761 1.00 0.00 C ATOM 1009 OE1 GLU A 63 5.826 -3.969 -9.075 1.00 0.00 O ATOM 1010 OE2 GLU A 63 4.817 -4.355 -10.988 1.00 0.00 O ATOM 0 H GLU A 63 1.537 -5.724 -6.570 1.00 0.00 H new ATOM 0 HA GLU A 63 3.135 -6.489 -8.764 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.654 -4.192 -7.095 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.387 -4.432 -7.198 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.687 -4.482 -9.693 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.176 -2.956 -8.982 1.00 0.00 H new ATOM 1017 N ILE A 64 4.668 -6.630 -5.830 1.00 0.00 N ATOM 1018 CA ILE A 64 5.782 -7.245 -5.117 1.00 0.00 C ATOM 1019 C ILE A 64 5.791 -8.760 -5.304 1.00 0.00 C ATOM 1020 O ILE A 64 6.844 -9.396 -5.251 1.00 0.00 O ATOM 1021 CB ILE A 64 5.721 -6.928 -3.607 1.00 0.00 C ATOM 1022 CG1 ILE A 64 5.576 -5.421 -3.378 1.00 0.00 C ATOM 1023 CG2 ILE A 64 6.962 -7.460 -2.902 1.00 0.00 C ATOM 1024 CD1 ILE A 64 5.507 -5.035 -1.916 1.00 0.00 C ATOM 0 H ILE A 64 4.100 -6.004 -5.260 1.00 0.00 H new ATOM 0 HA ILE A 64 6.696 -6.826 -5.537 1.00 0.00 H new ATOM 0 HB ILE A 64 4.846 -7.423 -3.186 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.419 -4.909 -3.841 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.675 -5.070 -3.881 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.904 -7.228 -1.838 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.021 -8.540 -3.035 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.850 -6.993 -3.327 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.405 -3.953 -1.830 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.648 -5.519 -1.452 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.419 -5.355 -1.412 1.00 0.00 H new ATOM 1036 N LYS A 65 4.612 -9.333 -5.522 1.00 0.00 N ATOM 1037 CA LYS A 65 4.483 -10.772 -5.716 1.00 0.00 C ATOM 1038 C LYS A 65 5.287 -11.236 -6.927 1.00 0.00 C ATOM 1039 O LYS A 65 5.763 -12.371 -6.971 1.00 0.00 O ATOM 1040 CB LYS A 65 3.010 -11.153 -5.886 1.00 0.00 C ATOM 1041 CG LYS A 65 2.492 -12.077 -4.796 1.00 0.00 C ATOM 1042 CD LYS A 65 2.186 -11.315 -3.517 1.00 0.00 C ATOM 1043 CE LYS A 65 3.279 -11.509 -2.477 1.00 0.00 C ATOM 1044 NZ LYS A 65 3.381 -10.346 -1.554 1.00 0.00 N ATOM 0 H LYS A 65 3.731 -8.821 -5.569 1.00 0.00 H new ATOM 0 HA LYS A 65 4.880 -11.270 -4.831 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.407 -10.245 -5.898 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.877 -11.636 -6.854 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.591 -12.582 -5.144 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.232 -12.850 -4.591 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.080 -10.254 -3.741 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.232 -11.652 -3.111 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.076 -12.412 -1.902 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.235 -11.659 -2.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.137 -10.518 -0.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.600 -9.488 -2.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.477 -10.218 -1.056 1.00 0.00 H new ATOM 1058 N LYS A 66 5.434 -10.353 -7.909 1.00 0.00 N ATOM 1059 CA LYS A 66 6.179 -10.676 -9.120 1.00 0.00 C ATOM 1060 C LYS A 66 7.670 -10.810 -8.828 1.00 0.00 C ATOM 1061 O LYS A 66 8.346 -11.674 -9.384 1.00 0.00 O ATOM 1062 CB LYS A 66 5.950 -9.602 -10.186 1.00 0.00 C ATOM 1063 CG LYS A 66 4.490 -9.437 -10.578 1.00 0.00 C ATOM 1064 CD LYS A 66 4.343 -9.096 -12.052 1.00 0.00 C ATOM 1065 CE LYS A 66 3.128 -9.775 -12.665 1.00 0.00 C ATOM 1066 NZ LYS A 66 3.494 -11.023 -13.390 1.00 0.00 N ATOM 0 H LYS A 66 5.048 -9.409 -7.890 1.00 0.00 H new ATOM 0 HA LYS A 66 5.816 -11.634 -9.493 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.329 -8.649 -9.817 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.530 -9.853 -11.074 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.948 -10.357 -10.361 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.037 -8.650 -9.975 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.255 -8.016 -12.169 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.241 -9.402 -12.588 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.409 -10.009 -11.880 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.636 -9.087 -13.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.638 -11.454 -13.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.160 -10.797 -14.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.940 -11.691 -12.729 1.00 0.00 H new