USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=9 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 19 LYS NZ :NH3+ 180:sc= -0.137 (180deg=0) USER MOD Set 1.2: A 31 LYS NZ :NH3+ -145:sc= -0.658 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 156:sc= -0.795 (180deg=-1.92!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 148:sc= -0.735 (180deg=-2.83) USER MOD Single : A 34 CYS SG : rot 180:sc= -2.71 USER MOD Single : A 38 LYS NZ :NH3+ -120:sc= -2.01 (180deg=-5.82!) USER MOD Single : A 39 LYS NZ :NH3+ 168:sc= -0.271 (180deg=-0.425) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 161:sc=-0.00271 (180deg=-0.225) 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 59 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.562) USER MOD Single : A 65 LYS NZ :NH3+ 165:sc= -0.0154 (180deg=-0.172) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 93 N LEU A 7 -6.957 -1.703 7.116 1.00 0.00 N ATOM 94 CA LEU A 7 -6.207 -1.400 5.903 1.00 0.00 C ATOM 95 C LEU A 7 -4.866 -0.750 6.235 1.00 0.00 C ATOM 96 O LEU A 7 -3.905 -0.862 5.473 1.00 0.00 O ATOM 97 CB LEU A 7 -7.020 -0.478 4.992 1.00 0.00 C ATOM 98 CG LEU A 7 -6.809 -0.697 3.494 1.00 0.00 C ATOM 99 CD1 LEU A 7 -7.625 0.301 2.688 1.00 0.00 C ATOM 100 CD2 LEU A 7 -5.333 -0.587 3.144 1.00 0.00 C ATOM 0 HA LEU A 7 -6.015 -2.339 5.383 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.078 -0.611 5.217 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.770 0.556 5.231 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.149 -1.701 3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.462 0.129 1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.683 0.176 2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.316 1.315 2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.200 -0.745 2.074 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.968 0.405 3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.771 -1.341 3.695 1.00 0.00 H new ATOM 112 N GLU A 8 -4.808 -0.068 7.375 1.00 0.00 N ATOM 113 CA GLU A 8 -3.586 0.603 7.804 1.00 0.00 C ATOM 114 C GLU A 8 -2.554 -0.402 8.307 1.00 0.00 C ATOM 115 O GLU A 8 -1.351 -0.200 8.150 1.00 0.00 O ATOM 116 CB GLU A 8 -3.897 1.621 8.901 1.00 0.00 C ATOM 117 CG GLU A 8 -4.734 2.796 8.421 1.00 0.00 C ATOM 118 CD GLU A 8 -5.274 3.632 9.564 1.00 0.00 C ATOM 119 OE1 GLU A 8 -4.498 3.940 10.492 1.00 0.00 O ATOM 120 OE2 GLU A 8 -6.474 3.980 9.530 1.00 0.00 O ATOM 0 H GLU A 8 -5.593 0.034 8.018 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.168 1.122 6.941 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.423 1.119 9.713 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.960 1.997 9.312 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.129 3.426 7.769 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.566 2.424 7.823 1.00 0.00 H new ATOM 127 N GLU A 9 -3.032 -1.481 8.918 1.00 0.00 N ATOM 128 CA GLU A 9 -2.148 -2.515 9.448 1.00 0.00 C ATOM 129 C GLU A 9 -1.610 -3.413 8.333 1.00 0.00 C ATOM 130 O GLU A 9 -0.599 -4.093 8.507 1.00 0.00 O ATOM 131 CB GLU A 9 -2.887 -3.358 10.491 1.00 0.00 C ATOM 132 CG GLU A 9 -3.978 -4.245 9.910 1.00 0.00 C ATOM 133 CD GLU A 9 -4.002 -5.625 10.537 1.00 0.00 C ATOM 134 OE1 GLU A 9 -3.058 -6.405 10.294 1.00 0.00 O ATOM 135 OE2 GLU A 9 -4.966 -5.926 11.273 1.00 0.00 O ATOM 0 H GLU A 9 -4.026 -1.663 9.059 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.300 -2.020 9.921 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.165 -3.984 11.015 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.330 -2.693 11.233 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.946 -3.767 10.056 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.829 -4.341 8.835 1.00 0.00 H new ATOM 142 N LYS A 10 -2.295 -3.418 7.193 1.00 0.00 N ATOM 143 CA LYS A 10 -1.889 -4.240 6.058 1.00 0.00 C ATOM 144 C LYS A 10 -0.701 -3.625 5.324 1.00 0.00 C ATOM 145 O LYS A 10 0.234 -4.327 4.940 1.00 0.00 O ATOM 146 CB LYS A 10 -3.063 -4.421 5.093 1.00 0.00 C ATOM 147 CG LYS A 10 -3.647 -5.824 5.103 1.00 0.00 C ATOM 148 CD LYS A 10 -5.159 -5.801 4.936 1.00 0.00 C ATOM 149 CE LYS A 10 -5.869 -6.061 6.256 1.00 0.00 C ATOM 150 NZ LYS A 10 -7.350 -6.069 6.098 1.00 0.00 N ATOM 0 H LYS A 10 -3.134 -2.862 7.031 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.583 -5.213 6.441 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.847 -3.708 5.350 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.732 -4.181 4.082 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.200 -6.411 4.300 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.391 -6.319 6.040 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.468 -4.834 4.540 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.457 -6.554 4.207 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.542 -7.018 6.662 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.585 -5.295 6.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.796 -6.249 7.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.665 -5.147 5.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.624 -6.816 5.429 1.00 0.00 H new ATOM 164 N VAL A 11 -0.751 -2.313 5.123 1.00 0.00 N ATOM 165 CA VAL A 11 0.318 -1.605 4.425 1.00 0.00 C ATOM 166 C VAL A 11 1.554 -1.449 5.299 1.00 0.00 C ATOM 167 O VAL A 11 2.670 -1.386 4.795 1.00 0.00 O ATOM 168 CB VAL A 11 -0.141 -0.216 3.940 1.00 0.00 C ATOM 169 CG1 VAL A 11 0.922 0.423 3.055 1.00 0.00 C ATOM 170 CG2 VAL A 11 -1.468 -0.320 3.203 1.00 0.00 C ATOM 0 H VAL A 11 -1.519 -1.718 5.433 1.00 0.00 H new ATOM 0 HA VAL A 11 0.574 -2.214 3.558 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.284 0.423 4.811 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.578 1.403 2.723 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.847 0.535 3.621 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.102 -0.211 2.187 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.777 0.670 2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.354 -0.976 2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.225 -0.729 3.872 1.00 0.00 H new ATOM 180 N LYS A 12 1.347 -1.386 6.606 1.00 0.00 N ATOM 181 CA LYS A 12 2.452 -1.241 7.551 1.00 0.00 C ATOM 182 C LYS A 12 3.386 -2.439 7.461 1.00 0.00 C ATOM 183 O LYS A 12 4.605 -2.302 7.563 1.00 0.00 O ATOM 184 CB LYS A 12 1.918 -1.096 8.977 1.00 0.00 C ATOM 185 CG LYS A 12 2.838 -0.307 9.895 1.00 0.00 C ATOM 186 CD LYS A 12 4.036 -1.136 10.336 1.00 0.00 C ATOM 187 CE LYS A 12 5.347 -0.471 9.952 1.00 0.00 C ATOM 188 NZ LYS A 12 5.681 0.663 10.858 1.00 0.00 N ATOM 0 H LYS A 12 0.425 -1.433 7.040 1.00 0.00 H new ATOM 0 HA LYS A 12 3.011 -0.341 7.294 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.945 -0.606 8.943 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.761 -2.088 9.400 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.185 0.589 9.381 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.281 0.024 10.772 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.003 -1.279 11.416 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.982 -2.125 9.881 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.150 -1.208 9.981 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.284 -0.109 8.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.582 1.090 10.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.927 1.378 10.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.767 0.314 11.834 1.00 0.00 H new ATOM 202 N ALA A 13 2.805 -3.613 7.239 1.00 0.00 N ATOM 203 CA ALA A 13 3.587 -4.837 7.099 1.00 0.00 C ATOM 204 C ALA A 13 4.133 -4.932 5.682 1.00 0.00 C ATOM 205 O ALA A 13 5.141 -5.589 5.423 1.00 0.00 O ATOM 206 CB ALA A 13 2.735 -6.055 7.430 1.00 0.00 C ATOM 0 H ALA A 13 1.797 -3.743 7.152 1.00 0.00 H new ATOM 0 HA ALA A 13 4.422 -4.810 7.799 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.334 -6.959 7.320 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.376 -5.980 8.456 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.884 -6.099 6.750 1.00 0.00 H new ATOM 212 N LEU A 14 3.446 -4.251 4.775 1.00 0.00 N ATOM 213 CA LEU A 14 3.814 -4.209 3.372 1.00 0.00 C ATOM 214 C LEU A 14 5.140 -3.476 3.174 1.00 0.00 C ATOM 215 O LEU A 14 5.844 -3.698 2.190 1.00 0.00 O ATOM 216 CB LEU A 14 2.699 -3.511 2.591 1.00 0.00 C ATOM 217 CG LEU A 14 2.562 -3.925 1.125 1.00 0.00 C ATOM 218 CD1 LEU A 14 1.109 -4.231 0.798 1.00 0.00 C ATOM 219 CD2 LEU A 14 3.097 -2.837 0.206 1.00 0.00 C ATOM 0 H LEU A 14 2.611 -3.709 4.997 1.00 0.00 H new ATOM 0 HA LEU A 14 3.943 -5.227 3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.752 -3.703 3.095 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.869 -2.435 2.632 1.00 0.00 H new ATOM 0 HG LEU A 14 3.153 -4.827 0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.026 -4.524 -0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.757 -5.045 1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.501 -3.344 0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.990 -3.152 -0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.535 -1.917 0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.150 -2.661 0.425 1.00 0.00 H new ATOM 231 N GLU A 15 5.466 -2.591 4.114 1.00 0.00 N ATOM 232 CA GLU A 15 6.695 -1.811 4.049 1.00 0.00 C ATOM 233 C GLU A 15 7.907 -2.653 4.435 1.00 0.00 C ATOM 234 O GLU A 15 8.905 -2.687 3.714 1.00 0.00 O ATOM 235 CB GLU A 15 6.580 -0.584 4.962 1.00 0.00 C ATOM 236 CG GLU A 15 7.891 0.159 5.170 1.00 0.00 C ATOM 237 CD GLU A 15 7.765 1.295 6.168 1.00 0.00 C ATOM 238 OE1 GLU A 15 6.625 1.734 6.426 1.00 0.00 O ATOM 239 OE2 GLU A 15 8.807 1.743 6.692 1.00 0.00 O ATOM 0 H GLU A 15 4.890 -2.397 4.934 1.00 0.00 H new ATOM 0 HA GLU A 15 6.838 -1.480 3.020 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.848 0.104 4.538 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.196 -0.901 5.932 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.651 -0.542 5.517 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.235 0.556 4.215 1.00 0.00 H new ATOM 246 N GLU A 16 7.820 -3.331 5.575 1.00 0.00 N ATOM 247 CA GLU A 16 8.916 -4.171 6.051 1.00 0.00 C ATOM 248 C GLU A 16 9.374 -5.143 4.966 1.00 0.00 C ATOM 249 O GLU A 16 10.526 -5.578 4.955 1.00 0.00 O ATOM 250 CB GLU A 16 8.490 -4.946 7.300 1.00 0.00 C ATOM 251 CG GLU A 16 7.301 -5.864 7.071 1.00 0.00 C ATOM 252 CD GLU A 16 7.319 -7.077 7.980 1.00 0.00 C ATOM 253 OE1 GLU A 16 7.439 -6.898 9.209 1.00 0.00 O ATOM 254 OE2 GLU A 16 7.212 -8.208 7.460 1.00 0.00 O ATOM 0 H GLU A 16 7.004 -3.316 6.186 1.00 0.00 H new ATOM 0 HA GLU A 16 9.752 -3.519 6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.333 -5.539 7.654 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.244 -4.237 8.091 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.379 -5.306 7.234 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.295 -6.193 6.032 1.00 0.00 H new ATOM 261 N LYS A 17 8.466 -5.477 4.052 1.00 0.00 N ATOM 262 CA LYS A 17 8.780 -6.394 2.964 1.00 0.00 C ATOM 263 C LYS A 17 9.613 -5.701 1.888 1.00 0.00 C ATOM 264 O LYS A 17 10.562 -6.278 1.357 1.00 0.00 O ATOM 265 CB LYS A 17 7.490 -6.950 2.353 1.00 0.00 C ATOM 266 CG LYS A 17 7.501 -8.462 2.183 1.00 0.00 C ATOM 267 CD LYS A 17 7.556 -8.860 0.717 1.00 0.00 C ATOM 268 CE LYS A 17 6.164 -9.108 0.155 1.00 0.00 C ATOM 269 NZ LYS A 17 5.330 -7.876 0.176 1.00 0.00 N ATOM 0 H LYS A 17 7.508 -5.126 4.045 1.00 0.00 H new ATOM 0 HA LYS A 17 9.366 -7.218 3.372 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.648 -6.670 2.985 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.328 -6.484 1.381 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.360 -8.881 2.707 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.609 -8.887 2.643 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.047 -8.074 0.143 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.160 -9.760 0.606 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.246 -9.474 -0.869 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.672 -9.889 0.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.584 -7.949 -0.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.895 -7.768 1.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.927 -7.049 -0.026 1.00 0.00 H new ATOM 283 N VAL A 18 9.253 -4.460 1.571 1.00 0.00 N ATOM 284 CA VAL A 18 9.969 -3.692 0.558 1.00 0.00 C ATOM 285 C VAL A 18 11.272 -3.130 1.112 1.00 0.00 C ATOM 286 O VAL A 18 12.336 -3.304 0.519 1.00 0.00 O ATOM 287 CB VAL A 18 9.123 -2.525 0.022 1.00 0.00 C ATOM 288 CG1 VAL A 18 9.765 -1.927 -1.220 1.00 0.00 C ATOM 289 CG2 VAL A 18 7.699 -2.975 -0.269 1.00 0.00 C ATOM 0 H VAL A 18 8.471 -3.966 2.001 1.00 0.00 H new ATOM 0 HA VAL A 18 10.182 -4.383 -0.257 1.00 0.00 H new ATOM 0 HB VAL A 18 9.081 -1.754 0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.152 -1.103 -1.585 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.760 -1.558 -0.973 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.843 -2.691 -1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.121 -2.132 -0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.714 -3.769 -1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.241 -3.348 0.647 1.00 0.00 H new ATOM 299 N LYS A 19 11.180 -2.448 2.249 1.00 0.00 N ATOM 300 CA LYS A 19 12.351 -1.851 2.882 1.00 0.00 C ATOM 301 C LYS A 19 13.494 -2.856 3.003 1.00 0.00 C ATOM 302 O LYS A 19 14.667 -2.487 2.948 1.00 0.00 O ATOM 303 CB LYS A 19 11.987 -1.310 4.267 1.00 0.00 C ATOM 304 CG LYS A 19 11.343 0.067 4.231 1.00 0.00 C ATOM 305 CD LYS A 19 12.083 1.056 5.119 1.00 0.00 C ATOM 306 CE LYS A 19 12.232 2.410 4.443 1.00 0.00 C ATOM 307 NZ LYS A 19 13.587 2.590 3.850 1.00 0.00 N ATOM 0 H LYS A 19 10.306 -2.295 2.752 1.00 0.00 H new ATOM 0 HA LYS A 19 12.687 -1.030 2.249 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.306 -2.008 4.753 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.888 -1.265 4.879 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.331 0.437 3.206 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.305 -0.008 4.555 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.545 1.175 6.059 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.069 0.660 5.364 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.478 2.511 3.662 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.046 3.201 5.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.647 3.525 3.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.306 2.520 4.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.755 1.851 3.138 1.00 0.00 H new ATOM 321 N ALA A 20 13.144 -4.127 3.168 1.00 0.00 N ATOM 322 CA ALA A 20 14.142 -5.186 3.296 1.00 0.00 C ATOM 323 C ALA A 20 14.479 -5.805 1.941 1.00 0.00 C ATOM 324 O ALA A 20 15.436 -6.570 1.821 1.00 0.00 O ATOM 325 CB ALA A 20 13.650 -6.258 4.257 1.00 0.00 C ATOM 0 H ALA A 20 12.178 -4.450 3.216 1.00 0.00 H new ATOM 0 HA ALA A 20 15.053 -4.740 3.694 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.403 -7.042 4.344 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.473 -5.815 5.237 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.722 -6.687 3.880 1.00 0.00 H new ATOM 331 N LEU A 21 13.689 -5.471 0.924 1.00 0.00 N ATOM 332 CA LEU A 21 13.904 -5.995 -0.418 1.00 0.00 C ATOM 333 C LEU A 21 15.194 -5.447 -1.018 1.00 0.00 C ATOM 334 O LEU A 21 16.167 -6.180 -1.199 1.00 0.00 O ATOM 335 CB LEU A 21 12.714 -5.642 -1.313 1.00 0.00 C ATOM 336 CG LEU A 21 12.222 -6.776 -2.214 1.00 0.00 C ATOM 337 CD1 LEU A 21 10.924 -6.385 -2.907 1.00 0.00 C ATOM 338 CD2 LEU A 21 13.288 -7.141 -3.238 1.00 0.00 C ATOM 0 H LEU A 21 12.893 -4.838 1.006 1.00 0.00 H new ATOM 0 HA LEU A 21 13.994 -7.079 -0.353 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.888 -5.316 -0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.989 -4.794 -1.940 1.00 0.00 H new ATOM 0 HG LEU A 21 12.027 -7.650 -1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 21 10.590 -7.205 -3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.161 -6.173 -2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.090 -5.497 -3.517 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.923 -7.949 -3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 21 13.514 -6.271 -3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.192 -7.465 -2.722 1.00 0.00 H new ATOM 371 N GLY A 25 14.524 -1.812 -9.745 1.00 0.00 N ATOM 372 CA GLY A 25 13.536 -1.296 -10.675 1.00 0.00 C ATOM 373 C GLY A 25 12.117 -1.499 -10.183 1.00 0.00 C ATOM 374 O GLY A 25 11.407 -0.535 -9.898 1.00 0.00 O ATOM 0 HA2 GLY A 25 13.713 -0.233 -10.836 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.657 -1.789 -11.640 1.00 0.00 H new ATOM 378 N ARG A 26 11.703 -2.758 -10.082 1.00 0.00 N ATOM 379 CA ARG A 26 10.359 -3.087 -9.617 1.00 0.00 C ATOM 380 C ARG A 26 10.118 -2.538 -8.215 1.00 0.00 C ATOM 381 O ARG A 26 9.021 -2.082 -7.895 1.00 0.00 O ATOM 382 CB ARG A 26 10.155 -4.605 -9.621 1.00 0.00 C ATOM 383 CG ARG A 26 8.759 -5.040 -10.047 1.00 0.00 C ATOM 384 CD ARG A 26 7.678 -4.238 -9.340 1.00 0.00 C ATOM 385 NE ARG A 26 7.364 -3.000 -10.049 1.00 0.00 N ATOM 386 CZ ARG A 26 6.818 -2.959 -11.263 1.00 0.00 C ATOM 387 NH1 ARG A 26 6.516 -4.084 -11.901 1.00 0.00 N ATOM 388 NH2 ARG A 26 6.569 -1.791 -11.839 1.00 0.00 N ATOM 0 H ARG A 26 12.278 -3.567 -10.316 1.00 0.00 H new ATOM 0 HA ARG A 26 9.643 -2.626 -10.297 1.00 0.00 H new ATOM 0 HB2 ARG A 26 10.886 -5.058 -10.291 1.00 0.00 H new ATOM 0 HB3 ARG A 26 10.356 -4.991 -8.622 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.654 -4.920 -11.125 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.626 -6.100 -9.830 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.776 -4.844 -9.251 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.005 -4.003 -8.327 1.00 0.00 H new ATOM 0 HE ARG A 26 7.575 -2.115 -9.587 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.702 -4.985 -11.461 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.098 -4.047 -12.831 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.796 -0.924 -11.352 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.151 -1.760 -12.769 1.00 0.00 H new ATOM 402 N ILE A 27 11.152 -2.589 -7.383 1.00 0.00 N ATOM 403 CA ILE A 27 11.060 -2.104 -6.011 1.00 0.00 C ATOM 404 C ILE A 27 10.974 -0.582 -5.960 1.00 0.00 C ATOM 405 O ILE A 27 10.390 -0.019 -5.037 1.00 0.00 O ATOM 406 CB ILE A 27 12.269 -2.568 -5.171 1.00 0.00 C ATOM 407 CG1 ILE A 27 12.491 -4.072 -5.338 1.00 0.00 C ATOM 408 CG2 ILE A 27 12.065 -2.216 -3.704 1.00 0.00 C ATOM 409 CD1 ILE A 27 13.948 -4.455 -5.482 1.00 0.00 C ATOM 0 H ILE A 27 12.067 -2.963 -7.636 1.00 0.00 H new ATOM 0 HA ILE A 27 10.147 -2.526 -5.591 1.00 0.00 H new ATOM 0 HB ILE A 27 13.158 -2.048 -5.528 1.00 0.00 H new ATOM 0 HG12 ILE A 27 12.071 -4.591 -4.477 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.944 -4.417 -6.216 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.927 -2.550 -3.126 1.00 0.00 H new ATOM 0 HG22 ILE A 27 11.956 -1.136 -3.601 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.166 -2.709 -3.333 1.00 0.00 H new ATOM 0 HD11 ILE A 27 14.030 -5.536 -5.596 1.00 0.00 H new ATOM 0 HD12 ILE A 27 14.368 -3.964 -6.360 1.00 0.00 H new ATOM 0 HD13 ILE A 27 14.496 -4.141 -4.594 1.00 0.00 H new ATOM 421 N GLU A 28 11.572 0.079 -6.946 1.00 0.00 N ATOM 422 CA GLU A 28 11.572 1.538 -7.002 1.00 0.00 C ATOM 423 C GLU A 28 10.155 2.099 -7.127 1.00 0.00 C ATOM 424 O GLU A 28 9.728 2.917 -6.313 1.00 0.00 O ATOM 425 CB GLU A 28 12.425 2.021 -8.175 1.00 0.00 C ATOM 426 CG GLU A 28 12.661 3.523 -8.179 1.00 0.00 C ATOM 427 CD GLU A 28 13.871 3.925 -7.357 1.00 0.00 C ATOM 428 OE1 GLU A 28 13.901 3.605 -6.151 1.00 0.00 O ATOM 429 OE2 GLU A 28 14.787 4.559 -7.921 1.00 0.00 O ATOM 0 H GLU A 28 12.063 -0.372 -7.718 1.00 0.00 H new ATOM 0 HA GLU A 28 11.997 1.903 -6.067 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.388 1.511 -8.148 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.939 1.736 -9.108 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.794 3.863 -9.206 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.777 4.027 -7.788 1.00 0.00 H new ATOM 436 N GLU A 29 9.434 1.662 -8.157 1.00 0.00 N ATOM 437 CA GLU A 29 8.071 2.130 -8.392 1.00 0.00 C ATOM 438 C GLU A 29 7.169 1.847 -7.194 1.00 0.00 C ATOM 439 O GLU A 29 6.472 2.733 -6.704 1.00 0.00 O ATOM 440 CB GLU A 29 7.492 1.464 -9.646 1.00 0.00 C ATOM 441 CG GLU A 29 6.016 1.765 -9.879 1.00 0.00 C ATOM 442 CD GLU A 29 5.753 2.397 -11.232 1.00 0.00 C ATOM 443 OE1 GLU A 29 6.566 3.242 -11.660 1.00 0.00 O ATOM 444 OE2 GLU A 29 4.734 2.047 -11.863 1.00 0.00 O ATOM 0 H GLU A 29 9.771 0.985 -8.842 1.00 0.00 H new ATOM 0 HA GLU A 29 8.111 3.209 -8.539 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.061 1.792 -10.516 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.625 0.385 -9.567 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.444 0.841 -9.797 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.658 2.432 -9.095 1.00 0.00 H new ATOM 451 N LEU A 30 7.179 0.601 -6.742 1.00 0.00 N ATOM 452 CA LEU A 30 6.352 0.183 -5.615 1.00 0.00 C ATOM 453 C LEU A 30 6.650 0.990 -4.352 1.00 0.00 C ATOM 454 O LEU A 30 5.831 1.038 -3.438 1.00 0.00 O ATOM 455 CB LEU A 30 6.547 -1.307 -5.339 1.00 0.00 C ATOM 456 CG LEU A 30 6.110 -2.230 -6.475 1.00 0.00 C ATOM 457 CD1 LEU A 30 6.463 -3.675 -6.160 1.00 0.00 C ATOM 458 CD2 LEU A 30 4.617 -2.092 -6.734 1.00 0.00 C ATOM 0 H LEU A 30 7.753 -0.142 -7.140 1.00 0.00 H new ATOM 0 HA LEU A 30 5.314 0.371 -5.889 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.601 -1.488 -5.127 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.991 -1.572 -4.440 1.00 0.00 H new ATOM 0 HG LEU A 30 6.645 -1.935 -7.377 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.143 -4.315 -6.982 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.541 -3.766 -6.028 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.958 -3.981 -5.244 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.326 -2.758 -7.547 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.065 -2.357 -5.832 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.389 -1.062 -7.009 1.00 0.00 H new ATOM 470 N LYS A 31 7.827 1.601 -4.294 1.00 0.00 N ATOM 471 CA LYS A 31 8.226 2.381 -3.125 1.00 0.00 C ATOM 472 C LYS A 31 7.492 3.718 -3.053 1.00 0.00 C ATOM 473 O LYS A 31 6.810 4.002 -2.073 1.00 0.00 O ATOM 474 CB LYS A 31 9.737 2.620 -3.142 1.00 0.00 C ATOM 475 CG LYS A 31 10.252 3.346 -1.908 1.00 0.00 C ATOM 476 CD LYS A 31 11.396 2.590 -1.251 1.00 0.00 C ATOM 477 CE LYS A 31 12.010 3.387 -0.110 1.00 0.00 C ATOM 478 NZ LYS A 31 12.332 2.524 1.060 1.00 0.00 N ATOM 0 H LYS A 31 8.522 1.573 -5.040 1.00 0.00 H new ATOM 0 HA LYS A 31 7.955 1.805 -2.240 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.247 1.661 -3.229 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.995 3.199 -4.028 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.588 4.345 -2.186 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.439 3.471 -1.193 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.032 1.634 -0.874 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.162 2.369 -1.995 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.918 3.880 -0.459 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.319 4.172 0.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.174 3.057 1.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.720 1.683 1.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.328 2.228 1.009 1.00 0.00 H new ATOM 492 N LYS A 32 7.647 4.542 -4.083 1.00 0.00 N ATOM 493 CA LYS A 32 7.007 5.857 -4.120 1.00 0.00 C ATOM 494 C LYS A 32 5.508 5.771 -3.829 1.00 0.00 C ATOM 495 O LYS A 32 4.966 6.568 -3.062 1.00 0.00 O ATOM 496 CB LYS A 32 7.237 6.515 -5.483 1.00 0.00 C ATOM 497 CG LYS A 32 8.078 7.779 -5.414 1.00 0.00 C ATOM 498 CD LYS A 32 7.981 8.583 -6.702 1.00 0.00 C ATOM 499 CE LYS A 32 9.325 9.183 -7.085 1.00 0.00 C ATOM 500 NZ LYS A 32 10.110 8.271 -7.962 1.00 0.00 N ATOM 0 H LYS A 32 8.210 4.325 -4.905 1.00 0.00 H new ATOM 0 HA LYS A 32 7.462 6.466 -3.338 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.725 5.800 -6.145 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.272 6.755 -5.929 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.748 8.392 -4.575 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.119 7.515 -5.226 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.625 7.941 -7.507 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.247 9.379 -6.581 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.166 10.132 -7.597 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.896 9.400 -6.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.019 8.716 -8.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.284 7.375 -7.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.576 8.084 -8.835 1.00 0.00 H new ATOM 514 N LYS A 33 4.843 4.811 -4.458 1.00 0.00 N ATOM 515 CA LYS A 33 3.403 4.624 -4.288 1.00 0.00 C ATOM 516 C LYS A 33 3.058 4.049 -2.915 1.00 0.00 C ATOM 517 O LYS A 33 1.940 4.217 -2.432 1.00 0.00 O ATOM 518 CB LYS A 33 2.858 3.710 -5.387 1.00 0.00 C ATOM 519 CG LYS A 33 1.493 4.132 -5.905 1.00 0.00 C ATOM 520 CD LYS A 33 0.577 2.935 -6.105 1.00 0.00 C ATOM 521 CE LYS A 33 0.158 2.326 -4.778 1.00 0.00 C ATOM 522 NZ LYS A 33 -1.126 2.897 -4.285 1.00 0.00 N ATOM 0 H LYS A 33 5.279 4.144 -5.095 1.00 0.00 H new ATOM 0 HA LYS A 33 2.935 5.606 -4.362 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.564 3.693 -6.218 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.793 2.692 -5.003 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.035 4.828 -5.202 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.610 4.664 -6.849 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.309 3.242 -6.661 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.086 2.183 -6.707 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.056 1.247 -4.890 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.939 2.497 -4.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.646 2.172 -3.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.930 3.709 -3.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.700 3.209 -5.094 1.00 0.00 H new ATOM 536 N CYS A 34 4.006 3.346 -2.307 1.00 0.00 N ATOM 537 CA CYS A 34 3.786 2.721 -1.001 1.00 0.00 C ATOM 538 C CYS A 34 3.514 3.749 0.096 1.00 0.00 C ATOM 539 O CYS A 34 2.485 3.695 0.770 1.00 0.00 O ATOM 540 CB CYS A 34 5.016 1.897 -0.616 1.00 0.00 C ATOM 541 SG CYS A 34 4.648 0.182 -0.126 1.00 0.00 S ATOM 0 H CYS A 34 4.937 3.192 -2.695 1.00 0.00 H new ATOM 0 HA CYS A 34 2.905 2.085 -1.089 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.706 1.881 -1.459 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.529 2.395 0.207 1.00 0.00 H new ATOM 0 HG CYS A 34 5.754 -0.429 0.178 1.00 0.00 H new ATOM 546 N GLU A 35 4.454 4.666 0.286 1.00 0.00 N ATOM 547 CA GLU A 35 4.330 5.688 1.323 1.00 0.00 C ATOM 548 C GLU A 35 3.192 6.661 1.031 1.00 0.00 C ATOM 549 O GLU A 35 2.421 7.003 1.923 1.00 0.00 O ATOM 550 CB GLU A 35 5.646 6.451 1.483 1.00 0.00 C ATOM 551 CG GLU A 35 6.203 6.976 0.173 1.00 0.00 C ATOM 552 CD GLU A 35 6.449 8.472 0.199 1.00 0.00 C ATOM 553 OE1 GLU A 35 5.468 9.233 0.341 1.00 0.00 O ATOM 554 OE2 GLU A 35 7.623 8.883 0.077 1.00 0.00 O ATOM 0 H GLU A 35 5.311 4.725 -0.263 1.00 0.00 H new ATOM 0 HA GLU A 35 4.097 5.176 2.256 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.491 7.288 2.164 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.383 5.795 1.946 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.138 6.462 -0.051 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.508 6.740 -0.633 1.00 0.00 H new ATOM 561 N GLU A 36 3.090 7.107 -0.216 1.00 0.00 N ATOM 562 CA GLU A 36 2.040 8.041 -0.609 1.00 0.00 C ATOM 563 C GLU A 36 0.660 7.472 -0.294 1.00 0.00 C ATOM 564 O GLU A 36 -0.297 8.213 -0.067 1.00 0.00 O ATOM 565 CB GLU A 36 2.146 8.362 -2.101 1.00 0.00 C ATOM 566 CG GLU A 36 1.493 9.679 -2.488 1.00 0.00 C ATOM 567 CD GLU A 36 0.246 9.487 -3.329 1.00 0.00 C ATOM 568 OE1 GLU A 36 -0.696 8.822 -2.851 1.00 0.00 O ATOM 569 OE2 GLU A 36 0.213 10.002 -4.466 1.00 0.00 O ATOM 0 H GLU A 36 3.720 6.838 -0.971 1.00 0.00 H new ATOM 0 HA GLU A 36 2.172 8.960 -0.038 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.198 8.391 -2.384 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.684 7.556 -2.671 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.236 10.232 -1.585 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.209 10.287 -3.041 1.00 0.00 H new ATOM 576 N LEU A 37 0.567 6.149 -0.297 1.00 0.00 N ATOM 577 CA LEU A 37 -0.687 5.458 -0.025 1.00 0.00 C ATOM 578 C LEU A 37 -1.075 5.572 1.449 1.00 0.00 C ATOM 579 O LEU A 37 -2.242 5.778 1.778 1.00 0.00 O ATOM 580 CB LEU A 37 -0.555 3.986 -0.432 1.00 0.00 C ATOM 581 CG LEU A 37 -1.621 3.037 0.125 1.00 0.00 C ATOM 582 CD1 LEU A 37 -3.018 3.602 -0.092 1.00 0.00 C ATOM 583 CD2 LEU A 37 -1.496 1.666 -0.521 1.00 0.00 C ATOM 0 H LEU A 37 1.353 5.527 -0.487 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.478 5.928 -0.610 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.577 3.927 -1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.424 3.628 -0.113 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.460 2.934 1.198 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.757 2.910 0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.105 4.563 0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.194 3.738 -1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.260 1.002 -0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.630 1.758 -1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.509 1.254 -0.312 1.00 0.00 H new ATOM 595 N LYS A 38 -0.091 5.429 2.330 1.00 0.00 N ATOM 596 CA LYS A 38 -0.332 5.507 3.769 1.00 0.00 C ATOM 597 C LYS A 38 -0.942 6.850 4.167 1.00 0.00 C ATOM 598 O LYS A 38 -2.024 6.902 4.751 1.00 0.00 O ATOM 599 CB LYS A 38 0.974 5.284 4.535 1.00 0.00 C ATOM 600 CG LYS A 38 1.162 3.855 5.015 1.00 0.00 C ATOM 601 CD LYS A 38 2.630 3.533 5.238 1.00 0.00 C ATOM 602 CE LYS A 38 2.823 2.092 5.683 1.00 0.00 C ATOM 603 NZ LYS A 38 2.168 1.818 6.993 1.00 0.00 N ATOM 0 H LYS A 38 0.882 5.258 2.074 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.045 4.724 4.027 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.812 5.556 3.894 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.000 5.953 5.395 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.610 3.706 5.943 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.744 3.165 4.282 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.186 3.708 4.317 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.041 4.206 5.991 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.415 1.422 4.927 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.889 1.876 5.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.884 1.510 7.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.706 2.684 7.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.456 1.069 6.875 1.00 0.00 H new ATOM 617 N LYS A 39 -0.235 7.932 3.856 1.00 0.00 N ATOM 618 CA LYS A 39 -0.693 9.278 4.188 1.00 0.00 C ATOM 619 C LYS A 39 -2.121 9.523 3.706 1.00 0.00 C ATOM 620 O LYS A 39 -2.848 10.333 4.279 1.00 0.00 O ATOM 621 CB LYS A 39 0.250 10.319 3.580 1.00 0.00 C ATOM 622 CG LYS A 39 0.218 10.359 2.061 1.00 0.00 C ATOM 623 CD LYS A 39 1.336 11.225 1.503 1.00 0.00 C ATOM 624 CE LYS A 39 0.880 11.998 0.276 1.00 0.00 C ATOM 625 NZ LYS A 39 2.029 12.414 -0.575 1.00 0.00 N ATOM 0 H LYS A 39 0.662 7.903 3.372 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.687 9.372 5.274 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.013 11.304 3.966 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.268 10.109 3.908 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.309 9.347 1.667 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.745 10.745 1.726 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.675 11.923 2.269 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.189 10.598 1.243 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.199 11.381 -0.310 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.322 12.880 0.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.676 12.755 -1.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.554 13.177 -0.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.660 11.602 -0.727 1.00 0.00 H new ATOM 639 N LYS A 40 -2.516 8.827 2.645 1.00 0.00 N ATOM 640 CA LYS A 40 -3.854 8.982 2.087 1.00 0.00 C ATOM 641 C LYS A 40 -4.909 8.324 2.974 1.00 0.00 C ATOM 642 O LYS A 40 -6.074 8.715 2.957 1.00 0.00 O ATOM 643 CB LYS A 40 -3.915 8.389 0.679 1.00 0.00 C ATOM 644 CG LYS A 40 -5.070 8.922 -0.154 1.00 0.00 C ATOM 645 CD LYS A 40 -4.922 8.542 -1.619 1.00 0.00 C ATOM 646 CE LYS A 40 -6.197 8.821 -2.397 1.00 0.00 C ATOM 647 NZ LYS A 40 -6.182 10.174 -3.021 1.00 0.00 N ATOM 0 H LYS A 40 -1.930 8.151 2.155 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.070 10.049 2.038 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.978 8.600 0.164 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.001 7.305 0.753 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.010 8.528 0.232 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.117 10.007 -0.061 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.096 9.100 -2.059 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.670 7.485 -1.698 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.322 8.065 -3.172 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.055 8.738 -1.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.069 10.326 -3.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.088 10.897 -2.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.378 10.245 -3.677 1.00 0.00 H new ATOM 661 N ILE A 41 -4.500 7.321 3.744 1.00 0.00 N ATOM 662 CA ILE A 41 -5.423 6.617 4.628 1.00 0.00 C ATOM 663 C ILE A 41 -5.737 7.444 5.871 1.00 0.00 C ATOM 664 O ILE A 41 -6.876 7.471 6.336 1.00 0.00 O ATOM 665 CB ILE A 41 -4.861 5.250 5.062 1.00 0.00 C ATOM 666 CG1 ILE A 41 -4.296 4.502 3.850 1.00 0.00 C ATOM 667 CG2 ILE A 41 -5.943 4.430 5.750 1.00 0.00 C ATOM 668 CD1 ILE A 41 -3.926 3.063 4.136 1.00 0.00 C ATOM 0 H ILE A 41 -3.540 6.978 3.774 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.340 6.458 4.060 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.051 5.410 5.773 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.032 4.525 3.046 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.413 5.029 3.489 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.533 3.466 6.052 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.300 4.964 6.631 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.773 4.271 5.061 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.534 2.601 3.230 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.167 3.031 4.917 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.810 2.519 4.467 1.00 0.00 H new ATOM 680 N GLU A 42 -4.725 8.123 6.402 1.00 0.00 N ATOM 681 CA GLU A 42 -4.908 8.953 7.586 1.00 0.00 C ATOM 682 C GLU A 42 -5.864 10.103 7.289 1.00 0.00 C ATOM 683 O GLU A 42 -6.601 10.553 8.166 1.00 0.00 O ATOM 684 CB GLU A 42 -3.563 9.497 8.073 1.00 0.00 C ATOM 685 CG GLU A 42 -2.797 10.269 7.013 1.00 0.00 C ATOM 686 CD GLU A 42 -1.694 11.129 7.601 1.00 0.00 C ATOM 687 OE1 GLU A 42 -1.755 11.425 8.813 1.00 0.00 O ATOM 688 OE2 GLU A 42 -0.771 11.505 6.850 1.00 0.00 O ATOM 0 H GLU A 42 -3.774 8.115 6.033 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.339 8.335 8.374 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.733 10.147 8.931 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.949 8.666 8.419 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.365 9.568 6.299 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.490 10.902 6.458 1.00 0.00 H new ATOM 695 N GLU A 43 -5.850 10.569 6.043 1.00 0.00 N ATOM 696 CA GLU A 43 -6.721 11.660 5.627 1.00 0.00 C ATOM 697 C GLU A 43 -8.154 11.163 5.453 1.00 0.00 C ATOM 698 O GLU A 43 -9.114 11.904 5.663 1.00 0.00 O ATOM 699 CB GLU A 43 -6.207 12.287 4.323 1.00 0.00 C ATOM 700 CG GLU A 43 -6.494 11.466 3.071 1.00 0.00 C ATOM 701 CD GLU A 43 -7.251 12.253 2.019 1.00 0.00 C ATOM 702 OE1 GLU A 43 -8.420 12.610 2.273 1.00 0.00 O ATOM 703 OE2 GLU A 43 -6.675 12.513 0.942 1.00 0.00 O ATOM 0 H GLU A 43 -5.245 10.207 5.306 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.714 12.424 6.404 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.657 13.273 4.207 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.130 12.436 4.406 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.553 11.113 2.649 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.072 10.583 3.344 1.00 0.00 H new ATOM 710 N LEU A 44 -8.280 9.899 5.067 1.00 0.00 N ATOM 711 CA LEU A 44 -9.581 9.278 4.858 1.00 0.00 C ATOM 712 C LEU A 44 -10.406 9.294 6.140 1.00 0.00 C ATOM 713 O LEU A 44 -9.908 9.660 7.205 1.00 0.00 O ATOM 714 CB LEU A 44 -9.401 7.840 4.366 1.00 0.00 C ATOM 715 CG LEU A 44 -9.336 7.677 2.846 1.00 0.00 C ATOM 716 CD1 LEU A 44 -8.906 6.264 2.476 1.00 0.00 C ATOM 717 CD2 LEU A 44 -10.682 8.010 2.218 1.00 0.00 C ATOM 0 H LEU A 44 -7.489 9.280 4.891 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.117 9.852 4.102 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.485 7.436 4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.226 7.237 4.746 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.593 8.372 2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.866 6.168 1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.920 6.062 2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.624 5.548 2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.619 7.889 1.137 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.444 7.339 2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.948 9.041 2.453 1.00 0.00 H new ATOM 757 N GLU A 49 -15.044 7.637 -0.953 1.00 0.00 N ATOM 758 CA GLU A 49 -13.692 7.660 -1.499 1.00 0.00 C ATOM 759 C GLU A 49 -12.849 6.525 -0.924 1.00 0.00 C ATOM 760 O GLU A 49 -11.866 6.100 -1.531 1.00 0.00 O ATOM 761 CB GLU A 49 -13.026 9.005 -1.204 1.00 0.00 C ATOM 762 CG GLU A 49 -11.621 9.125 -1.772 1.00 0.00 C ATOM 763 CD GLU A 49 -10.900 10.368 -1.287 1.00 0.00 C ATOM 764 OE1 GLU A 49 -10.367 10.342 -0.158 1.00 0.00 O ATOM 765 OE2 GLU A 49 -10.869 11.367 -2.037 1.00 0.00 O ATOM 0 HA GLU A 49 -13.761 7.523 -2.578 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.644 9.805 -1.613 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.987 9.153 -0.125 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.044 8.243 -1.494 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.673 9.141 -2.861 1.00 0.00 H new ATOM 772 N VAL A 50 -13.241 6.038 0.250 1.00 0.00 N ATOM 773 CA VAL A 50 -12.522 4.953 0.910 1.00 0.00 C ATOM 774 C VAL A 50 -12.322 3.766 -0.029 1.00 0.00 C ATOM 775 O VAL A 50 -11.341 3.032 0.082 1.00 0.00 O ATOM 776 CB VAL A 50 -13.268 4.479 2.173 1.00 0.00 C ATOM 777 CG1 VAL A 50 -14.631 3.906 1.813 1.00 0.00 C ATOM 778 CG2 VAL A 50 -12.436 3.460 2.936 1.00 0.00 C ATOM 0 H VAL A 50 -14.054 6.378 0.764 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.547 5.347 1.196 1.00 0.00 H new ATOM 0 HB VAL A 50 -13.426 5.342 2.820 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -15.139 3.578 2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -15.229 4.672 1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.503 3.057 1.142 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.980 3.138 3.824 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.241 2.598 2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.490 3.912 3.234 1.00 0.00 H new ATOM 788 N LYS A 51 -13.260 3.587 -0.952 1.00 0.00 N ATOM 789 CA LYS A 51 -13.190 2.490 -1.912 1.00 0.00 C ATOM 790 C LYS A 51 -12.066 2.714 -2.921 1.00 0.00 C ATOM 791 O LYS A 51 -11.492 1.760 -3.446 1.00 0.00 O ATOM 792 CB LYS A 51 -14.525 2.341 -2.644 1.00 0.00 C ATOM 793 CG LYS A 51 -14.542 1.204 -3.656 1.00 0.00 C ATOM 794 CD LYS A 51 -15.864 0.454 -3.631 1.00 0.00 C ATOM 795 CE LYS A 51 -15.742 -0.866 -2.889 1.00 0.00 C ATOM 796 NZ LYS A 51 -15.147 -0.691 -1.535 1.00 0.00 N ATOM 0 H LYS A 51 -14.078 4.187 -1.056 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.979 1.573 -1.361 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -15.315 2.176 -1.911 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.755 3.275 -3.156 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.368 1.603 -4.655 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -13.727 0.513 -3.442 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -16.625 1.072 -3.154 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.198 0.269 -4.652 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -16.728 -1.322 -2.796 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -15.126 -1.553 -3.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.369 -1.521 -0.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.115 -0.593 -1.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.541 0.163 -1.090 1.00 0.00 H new ATOM 810 N LYS A 52 -11.759 3.979 -3.190 1.00 0.00 N ATOM 811 CA LYS A 52 -10.706 4.324 -4.140 1.00 0.00 C ATOM 812 C LYS A 52 -9.331 3.947 -3.593 1.00 0.00 C ATOM 813 O LYS A 52 -8.591 3.187 -4.216 1.00 0.00 O ATOM 814 CB LYS A 52 -10.755 5.822 -4.457 1.00 0.00 C ATOM 815 CG LYS A 52 -9.573 6.317 -5.275 1.00 0.00 C ATOM 816 CD LYS A 52 -9.462 5.578 -6.599 1.00 0.00 C ATOM 817 CE LYS A 52 -8.255 6.042 -7.396 1.00 0.00 C ATOM 818 NZ LYS A 52 -8.251 5.484 -8.777 1.00 0.00 N ATOM 0 H LYS A 52 -12.223 4.781 -2.765 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.874 3.759 -5.057 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.676 6.039 -4.999 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.796 6.380 -3.522 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.681 7.386 -5.462 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.654 6.184 -4.705 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.387 4.507 -6.414 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.368 5.738 -7.183 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.249 7.131 -7.445 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.343 5.741 -6.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.411 5.825 -9.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.230 4.445 -8.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.109 5.792 -9.278 1.00 0.00 H new ATOM 832 N VAL A 53 -8.995 4.484 -2.424 1.00 0.00 N ATOM 833 CA VAL A 53 -7.708 4.203 -1.796 1.00 0.00 C ATOM 834 C VAL A 53 -7.516 2.705 -1.585 1.00 0.00 C ATOM 835 O VAL A 53 -6.388 2.215 -1.546 1.00 0.00 O ATOM 836 CB VAL A 53 -7.569 4.923 -0.440 1.00 0.00 C ATOM 837 CG1 VAL A 53 -6.133 4.852 0.055 1.00 0.00 C ATOM 838 CG2 VAL A 53 -8.033 6.370 -0.550 1.00 0.00 C ATOM 0 H VAL A 53 -9.595 5.115 -1.893 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.940 4.575 -2.474 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.206 4.418 0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.053 5.365 1.013 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.841 3.809 0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.474 5.331 -0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.927 6.861 0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.426 6.892 -1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -9.079 6.394 -0.856 1.00 0.00 H new ATOM 848 N GLU A 54 -8.624 1.981 -1.450 1.00 0.00 N ATOM 849 CA GLU A 54 -8.572 0.539 -1.248 1.00 0.00 C ATOM 850 C GLU A 54 -7.973 -0.153 -2.468 1.00 0.00 C ATOM 851 O GLU A 54 -7.247 -1.139 -2.342 1.00 0.00 O ATOM 852 CB GLU A 54 -9.973 -0.010 -0.971 1.00 0.00 C ATOM 853 CG GLU A 54 -10.394 0.107 0.486 1.00 0.00 C ATOM 854 CD GLU A 54 -11.828 -0.327 0.714 1.00 0.00 C ATOM 855 OE1 GLU A 54 -12.084 -1.550 0.727 1.00 0.00 O ATOM 856 OE2 GLU A 54 -12.697 0.555 0.879 1.00 0.00 O ATOM 0 H GLU A 54 -9.567 2.370 -1.477 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.936 0.337 -0.386 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.693 0.523 -1.593 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.009 -1.058 -1.268 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.732 -0.501 1.102 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.274 1.140 0.813 1.00 0.00 H new ATOM 863 N GLU A 55 -8.281 0.376 -3.647 1.00 0.00 N ATOM 864 CA GLU A 55 -7.772 -0.183 -4.894 1.00 0.00 C ATOM 865 C GLU A 55 -6.294 0.149 -5.072 1.00 0.00 C ATOM 866 O GLU A 55 -5.555 -0.589 -5.721 1.00 0.00 O ATOM 867 CB GLU A 55 -8.575 0.351 -6.082 1.00 0.00 C ATOM 868 CG GLU A 55 -8.106 -0.186 -7.425 1.00 0.00 C ATOM 869 CD GLU A 55 -9.234 -0.784 -8.243 1.00 0.00 C ATOM 870 OE1 GLU A 55 -10.200 -0.052 -8.547 1.00 0.00 O ATOM 871 OE2 GLU A 55 -9.153 -1.985 -8.579 1.00 0.00 O ATOM 0 H GLU A 55 -8.881 1.192 -3.765 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.881 -1.267 -4.851 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.625 0.094 -5.944 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.511 1.439 -6.093 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.640 0.620 -7.991 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.340 -0.944 -7.261 1.00 0.00 H new ATOM 878 N GLU A 56 -5.870 1.267 -4.490 1.00 0.00 N ATOM 879 CA GLU A 56 -4.481 1.701 -4.581 1.00 0.00 C ATOM 880 C GLU A 56 -3.564 0.777 -3.785 1.00 0.00 C ATOM 881 O GLU A 56 -2.391 0.610 -4.118 1.00 0.00 O ATOM 882 CB GLU A 56 -4.346 3.136 -4.067 1.00 0.00 C ATOM 883 CG GLU A 56 -4.615 4.191 -5.128 1.00 0.00 C ATOM 884 CD GLU A 56 -5.305 5.418 -4.567 1.00 0.00 C ATOM 885 OE1 GLU A 56 -4.595 6.349 -4.127 1.00 0.00 O ATOM 886 OE2 GLU A 56 -6.553 5.450 -4.567 1.00 0.00 O ATOM 0 H GLU A 56 -6.470 1.890 -3.949 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.181 1.662 -5.628 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.038 3.282 -3.238 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.340 3.278 -3.672 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.672 4.487 -5.588 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.232 3.760 -5.916 1.00 0.00 H new ATOM 893 N VAL A 57 -4.109 0.178 -2.732 1.00 0.00 N ATOM 894 CA VAL A 57 -3.347 -0.732 -1.884 1.00 0.00 C ATOM 895 C VAL A 57 -3.312 -2.136 -2.479 1.00 0.00 C ATOM 896 O VAL A 57 -2.399 -2.913 -2.211 1.00 0.00 O ATOM 897 CB VAL A 57 -3.939 -0.805 -0.463 1.00 0.00 C ATOM 898 CG1 VAL A 57 -3.003 -1.557 0.472 1.00 0.00 C ATOM 899 CG2 VAL A 57 -4.231 0.592 0.071 1.00 0.00 C ATOM 0 H VAL A 57 -5.079 0.307 -2.444 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.333 -0.337 -1.827 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.880 -1.353 -0.513 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.440 -1.597 1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.854 -2.571 0.100 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.043 -1.043 0.517 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.648 0.518 1.075 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.307 1.169 0.104 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.947 1.089 -0.583 1.00 0.00 H new ATOM 909 N LYS A 58 -4.323 -2.453 -3.278 1.00 0.00 N ATOM 910 CA LYS A 58 -4.429 -3.762 -3.909 1.00 0.00 C ATOM 911 C LYS A 58 -3.450 -3.909 -5.074 1.00 0.00 C ATOM 912 O LYS A 58 -3.031 -5.017 -5.401 1.00 0.00 O ATOM 913 CB LYS A 58 -5.860 -3.992 -4.397 1.00 0.00 C ATOM 914 CG LYS A 58 -6.667 -4.917 -3.500 1.00 0.00 C ATOM 915 CD LYS A 58 -8.159 -4.764 -3.740 1.00 0.00 C ATOM 916 CE LYS A 58 -8.965 -5.679 -2.832 1.00 0.00 C ATOM 917 NZ LYS A 58 -10.264 -5.065 -2.435 1.00 0.00 N ATOM 0 H LYS A 58 -5.086 -1.816 -3.505 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.172 -4.513 -3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.370 -3.031 -4.467 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.829 -4.411 -5.403 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.372 -5.950 -3.682 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.441 -4.701 -2.456 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.452 -3.728 -3.568 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.386 -4.991 -4.782 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.151 -6.624 -3.342 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.384 -5.908 -1.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.783 -5.720 -1.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.086 -4.176 -1.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.830 -4.870 -3.285 1.00 0.00 H new ATOM 931 N LYS A 59 -3.109 -2.794 -5.710 1.00 0.00 N ATOM 932 CA LYS A 59 -2.195 -2.813 -6.851 1.00 0.00 C ATOM 933 C LYS A 59 -0.748 -3.034 -6.418 1.00 0.00 C ATOM 934 O LYS A 59 0.001 -3.746 -7.087 1.00 0.00 O ATOM 935 CB LYS A 59 -2.304 -1.504 -7.639 1.00 0.00 C ATOM 936 CG LYS A 59 -1.313 -1.397 -8.793 1.00 0.00 C ATOM 937 CD LYS A 59 -0.235 -0.359 -8.516 1.00 0.00 C ATOM 938 CE LYS A 59 -0.695 1.038 -8.900 1.00 0.00 C ATOM 939 NZ LYS A 59 0.436 1.890 -9.362 1.00 0.00 N ATOM 0 H LYS A 59 -3.450 -1.866 -5.457 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.486 -3.649 -7.487 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.316 -1.410 -8.032 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.147 -0.667 -6.959 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.848 -2.368 -8.964 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.846 -1.133 -9.707 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.027 -0.379 -7.458 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.667 -0.612 -9.073 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.443 0.969 -9.690 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.178 1.509 -8.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.193 2.892 -9.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.289 1.663 -8.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.617 1.710 -10.370 1.00 0.00 H new ATOM 953 N LEU A 60 -0.349 -2.409 -5.315 1.00 0.00 N ATOM 954 CA LEU A 60 1.021 -2.536 -4.827 1.00 0.00 C ATOM 955 C LEU A 60 1.252 -3.857 -4.102 1.00 0.00 C ATOM 956 O LEU A 60 2.378 -4.342 -4.037 1.00 0.00 O ATOM 957 CB LEU A 60 1.372 -1.374 -3.903 1.00 0.00 C ATOM 958 CG LEU A 60 2.864 -1.045 -3.850 1.00 0.00 C ATOM 959 CD1 LEU A 60 3.098 0.439 -4.084 1.00 0.00 C ATOM 960 CD2 LEU A 60 3.463 -1.483 -2.522 1.00 0.00 C ATOM 0 H LEU A 60 -0.950 -1.813 -4.745 1.00 0.00 H new ATOM 0 HA LEU A 60 1.672 -2.515 -5.701 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.827 -0.488 -4.229 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.027 -1.608 -2.896 1.00 0.00 H new ATOM 0 HG LEU A 60 3.363 -1.596 -4.647 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.167 0.650 -4.042 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.711 0.718 -5.064 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.584 1.014 -3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.525 -1.240 -2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.959 -0.965 -1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.335 -2.559 -2.402 1.00 0.00 H new ATOM 972 N GLU A 61 0.192 -4.431 -3.553 1.00 0.00 N ATOM 973 CA GLU A 61 0.300 -5.692 -2.834 1.00 0.00 C ATOM 974 C GLU A 61 0.576 -6.840 -3.800 1.00 0.00 C ATOM 975 O GLU A 61 1.489 -7.639 -3.591 1.00 0.00 O ATOM 976 CB GLU A 61 -0.986 -5.957 -2.052 1.00 0.00 C ATOM 977 CG GLU A 61 -0.745 -6.466 -0.642 1.00 0.00 C ATOM 978 CD GLU A 61 -1.755 -7.515 -0.219 1.00 0.00 C ATOM 979 OE1 GLU A 61 -2.960 -7.192 -0.165 1.00 0.00 O ATOM 980 OE2 GLU A 61 -1.340 -8.661 0.056 1.00 0.00 O ATOM 0 H GLU A 61 -0.751 -4.045 -3.591 1.00 0.00 H new ATOM 0 HA GLU A 61 1.134 -5.624 -2.135 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.568 -5.037 -2.003 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.588 -6.686 -2.595 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.258 -6.887 -0.578 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.784 -5.628 0.054 1.00 0.00 H new ATOM 987 N GLU A 62 -0.221 -6.908 -4.859 1.00 0.00 N ATOM 988 CA GLU A 62 -0.079 -7.946 -5.871 1.00 0.00 C ATOM 989 C GLU A 62 1.205 -7.757 -6.676 1.00 0.00 C ATOM 990 O GLU A 62 1.760 -8.716 -7.214 1.00 0.00 O ATOM 991 CB GLU A 62 -1.289 -7.926 -6.806 1.00 0.00 C ATOM 992 CG GLU A 62 -1.761 -9.310 -7.216 1.00 0.00 C ATOM 993 CD GLU A 62 -2.904 -9.264 -8.210 1.00 0.00 C ATOM 994 OE1 GLU A 62 -3.919 -8.596 -7.918 1.00 0.00 O ATOM 995 OE2 GLU A 62 -2.787 -9.897 -9.281 1.00 0.00 O ATOM 0 H GLU A 62 -0.979 -6.250 -5.040 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.025 -8.911 -5.367 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.109 -7.402 -6.315 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.037 -7.357 -7.701 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.927 -9.860 -7.652 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.077 -9.860 -6.329 1.00 0.00 H new ATOM 1002 N GLU A 63 1.667 -6.515 -6.759 1.00 0.00 N ATOM 1003 CA GLU A 63 2.879 -6.192 -7.503 1.00 0.00 C ATOM 1004 C GLU A 63 4.096 -6.899 -6.912 1.00 0.00 C ATOM 1005 O GLU A 63 4.798 -7.633 -7.606 1.00 0.00 O ATOM 1006 CB GLU A 63 3.096 -4.675 -7.515 1.00 0.00 C ATOM 1007 CG GLU A 63 2.890 -4.046 -8.883 1.00 0.00 C ATOM 1008 CD GLU A 63 3.997 -4.391 -9.858 1.00 0.00 C ATOM 1009 OE1 GLU A 63 4.661 -5.431 -9.658 1.00 0.00 O ATOM 1010 OE2 GLU A 63 4.200 -3.624 -10.822 1.00 0.00 O ATOM 0 H GLU A 63 1.219 -5.712 -6.318 1.00 0.00 H new ATOM 0 HA GLU A 63 2.755 -6.544 -8.527 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.412 -4.212 -6.804 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.108 -4.458 -7.172 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.935 -4.378 -9.291 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.831 -2.963 -8.775 1.00 0.00 H new ATOM 1017 N ILE A 64 4.339 -6.671 -5.626 1.00 0.00 N ATOM 1018 CA ILE A 64 5.469 -7.284 -4.937 1.00 0.00 C ATOM 1019 C ILE A 64 5.418 -8.807 -5.036 1.00 0.00 C ATOM 1020 O ILE A 64 6.447 -9.478 -4.958 1.00 0.00 O ATOM 1021 CB ILE A 64 5.505 -6.880 -3.450 1.00 0.00 C ATOM 1022 CG1 ILE A 64 5.424 -5.357 -3.309 1.00 0.00 C ATOM 1023 CG2 ILE A 64 6.766 -7.413 -2.785 1.00 0.00 C ATOM 1024 CD1 ILE A 64 5.538 -4.871 -1.880 1.00 0.00 C ATOM 0 H ILE A 64 3.767 -6.065 -5.038 1.00 0.00 H new ATOM 0 HA ILE A 64 6.372 -6.922 -5.429 1.00 0.00 H new ATOM 0 HB ILE A 64 4.642 -7.319 -2.950 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.218 -4.903 -3.902 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.478 -5.012 -3.726 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.776 -7.119 -1.735 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.784 -8.500 -2.857 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.643 -7.002 -3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.472 -3.783 -1.859 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.728 -5.295 -1.286 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.496 -5.184 -1.464 1.00 0.00 H new ATOM 1036 N LYS A 65 4.214 -9.347 -5.206 1.00 0.00 N ATOM 1037 CA LYS A 65 4.035 -10.790 -5.312 1.00 0.00 C ATOM 1038 C LYS A 65 4.759 -11.339 -6.537 1.00 0.00 C ATOM 1039 O LYS A 65 5.227 -12.478 -6.535 1.00 0.00 O ATOM 1040 CB LYS A 65 2.545 -11.137 -5.381 1.00 0.00 C ATOM 1041 CG LYS A 65 1.996 -11.725 -4.091 1.00 0.00 C ATOM 1042 CD LYS A 65 2.023 -10.708 -2.961 1.00 0.00 C ATOM 1043 CE LYS A 65 1.839 -11.375 -1.608 1.00 0.00 C ATOM 1044 NZ LYS A 65 3.039 -12.162 -1.207 1.00 0.00 N ATOM 0 H LYS A 65 3.351 -8.808 -5.273 1.00 0.00 H new ATOM 0 HA LYS A 65 4.465 -11.252 -4.423 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.982 -10.237 -5.629 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.383 -11.847 -6.192 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.973 -12.066 -4.251 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.583 -12.599 -3.809 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.971 -10.170 -2.977 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.235 -9.971 -3.115 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.635 -10.615 -0.854 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.970 -12.031 -1.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.984 -12.387 -0.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.075 -13.045 -1.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.897 -11.605 -1.392 1.00 0.00 H new ATOM 1058 N LYS A 66 4.847 -10.522 -7.581 1.00 0.00 N ATOM 1059 CA LYS A 66 5.516 -10.926 -8.813 1.00 0.00 C ATOM 1060 C LYS A 66 7.023 -11.033 -8.602 1.00 0.00 C ATOM 1061 O LYS A 66 7.608 -12.103 -8.767 1.00 0.00 O ATOM 1062 CB LYS A 66 5.215 -9.929 -9.933 1.00 0.00 C ATOM 1063 CG LYS A 66 3.730 -9.689 -10.150 1.00 0.00 C ATOM 1064 CD LYS A 66 3.479 -8.845 -11.389 1.00 0.00 C ATOM 1065 CE LYS A 66 2.224 -9.291 -12.124 1.00 0.00 C ATOM 1066 NZ LYS A 66 1.073 -8.384 -11.858 1.00 0.00 N ATOM 0 H LYS A 66 4.464 -9.577 -7.599 1.00 0.00 H new ATOM 0 HA LYS A 66 5.136 -11.907 -9.099 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.698 -8.980 -9.703 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.655 -10.294 -10.861 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.216 -10.645 -10.249 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.309 -9.190 -9.277 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.381 -7.798 -11.103 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.337 -8.914 -12.057 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.422 -9.321 -13.195 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.965 -10.305 -11.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.237 -8.722 -12.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.867 -8.374 -10.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.310 -7.421 -12.173 1.00 0.00 H new