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 Single : A 10 LYS NZ :NH3+ 166:sc= 0.0555 (180deg=0.0331) USER MOD Single : A 12 LYS NZ :NH3+ -155:sc= -0.0478 (180deg=-0.304) USER MOD Single : A 17 LYS NZ :NH3+ 171:sc= -0.0105 (180deg=-0.125) 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 33 LYS NZ :NH3+ -151:sc= -0.0583 (180deg=-1.07) USER MOD Single : A 34 CYS SG : rot 130:sc= -2.79 USER MOD Single : A 38 LYS NZ :NH3+ -124:sc= 0.0997 (180deg=-0.254) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 59 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 -7.116 -1.021 7.253 1.00 0.00 N ATOM 94 CA LEU A 7 -6.440 -0.741 5.992 1.00 0.00 C ATOM 95 C LEU A 7 -5.032 -0.196 6.229 1.00 0.00 C ATOM 96 O LEU A 7 -4.138 -0.381 5.404 1.00 0.00 O ATOM 97 CB LEU A 7 -7.255 0.265 5.175 1.00 0.00 C ATOM 98 CG LEU A 7 -7.350 -0.037 3.679 1.00 0.00 C ATOM 99 CD1 LEU A 7 -8.377 0.870 3.018 1.00 0.00 C ATOM 100 CD2 LEU A 7 -5.987 0.121 3.016 1.00 0.00 C ATOM 0 HA LEU A 7 -6.355 -1.676 5.438 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.264 0.310 5.585 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.815 1.254 5.303 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.674 -1.070 3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.432 0.642 1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.353 0.708 3.475 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.082 1.911 3.151 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.073 -0.098 1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.634 1.144 3.149 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.278 -0.570 3.472 1.00 0.00 H new ATOM 112 N GLU A 8 -4.847 0.487 7.354 1.00 0.00 N ATOM 113 CA GLU A 8 -3.553 1.069 7.691 1.00 0.00 C ATOM 114 C GLU A 8 -2.574 0.010 8.194 1.00 0.00 C ATOM 115 O GLU A 8 -1.365 0.131 7.995 1.00 0.00 O ATOM 116 CB GLU A 8 -3.725 2.161 8.747 1.00 0.00 C ATOM 117 CG GLU A 8 -4.327 3.445 8.197 1.00 0.00 C ATOM 118 CD GLU A 8 -4.646 4.452 9.284 1.00 0.00 C ATOM 119 OE1 GLU A 8 -3.740 4.771 10.082 1.00 0.00 O ATOM 120 OE2 GLU A 8 -5.802 4.922 9.337 1.00 0.00 O ATOM 0 H GLU A 8 -5.577 0.651 8.048 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.139 1.505 6.782 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.361 1.784 9.548 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.754 2.384 9.189 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.633 3.892 7.486 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.238 3.208 7.647 1.00 0.00 H new ATOM 127 N GLU A 9 -3.097 -1.021 8.850 1.00 0.00 N ATOM 128 CA GLU A 9 -2.256 -2.090 9.380 1.00 0.00 C ATOM 129 C GLU A 9 -1.807 -3.043 8.274 1.00 0.00 C ATOM 130 O GLU A 9 -0.804 -3.742 8.415 1.00 0.00 O ATOM 131 CB GLU A 9 -3.003 -2.864 10.471 1.00 0.00 C ATOM 132 CG GLU A 9 -4.174 -3.685 9.952 1.00 0.00 C ATOM 133 CD GLU A 9 -4.491 -4.872 10.840 1.00 0.00 C ATOM 134 OE1 GLU A 9 -4.390 -4.732 12.078 1.00 0.00 O ATOM 135 OE2 GLU A 9 -4.844 -5.941 10.299 1.00 0.00 O ATOM 0 H GLU A 9 -4.095 -1.139 9.027 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.367 -1.632 9.813 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.302 -3.528 10.976 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.369 -2.159 11.217 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.055 -3.047 9.876 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.948 -4.038 8.946 1.00 0.00 H new ATOM 142 N LYS A 10 -2.555 -3.069 7.176 1.00 0.00 N ATOM 143 CA LYS A 10 -2.233 -3.940 6.050 1.00 0.00 C ATOM 144 C LYS A 10 -0.990 -3.447 5.315 1.00 0.00 C ATOM 145 O LYS A 10 -0.026 -4.192 5.138 1.00 0.00 O ATOM 146 CB LYS A 10 -3.419 -4.012 5.085 1.00 0.00 C ATOM 147 CG LYS A 10 -3.943 -5.425 4.871 1.00 0.00 C ATOM 148 CD LYS A 10 -4.088 -5.749 3.392 1.00 0.00 C ATOM 149 CE LYS A 10 -4.851 -7.047 3.179 1.00 0.00 C ATOM 150 NZ LYS A 10 -4.580 -7.636 1.839 1.00 0.00 N ATOM 0 H LYS A 10 -3.389 -2.497 7.041 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.026 -4.937 6.439 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.227 -3.388 5.467 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.121 -3.594 4.123 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.264 -6.140 5.336 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.909 -5.535 5.365 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.607 -4.933 2.889 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.101 -5.827 2.937 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.574 -7.763 3.953 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.920 -6.861 3.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.918 -8.619 1.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.075 -7.083 1.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.557 -7.618 1.652 1.00 0.00 H new ATOM 164 N VAL A 11 -1.023 -2.190 4.888 1.00 0.00 N ATOM 165 CA VAL A 11 0.098 -1.593 4.170 1.00 0.00 C ATOM 166 C VAL A 11 1.330 -1.479 5.055 1.00 0.00 C ATOM 167 O VAL A 11 2.458 -1.518 4.571 1.00 0.00 O ATOM 168 CB VAL A 11 -0.259 -0.198 3.621 1.00 0.00 C ATOM 169 CG1 VAL A 11 0.843 0.318 2.706 1.00 0.00 C ATOM 170 CG2 VAL A 11 -1.596 -0.234 2.896 1.00 0.00 C ATOM 0 H VAL A 11 -1.815 -1.563 5.027 1.00 0.00 H new ATOM 0 HA VAL A 11 0.319 -2.257 3.335 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.348 0.490 4.462 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.571 1.304 2.329 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.777 0.388 3.264 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.971 -0.368 1.868 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.831 0.760 2.516 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.540 -0.937 2.065 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.376 -0.551 3.588 1.00 0.00 H new ATOM 180 N LYS A 12 1.106 -1.330 6.353 1.00 0.00 N ATOM 181 CA LYS A 12 2.197 -1.207 7.316 1.00 0.00 C ATOM 182 C LYS A 12 3.107 -2.427 7.258 1.00 0.00 C ATOM 183 O LYS A 12 4.327 -2.310 7.373 1.00 0.00 O ATOM 184 CB LYS A 12 1.643 -1.033 8.732 1.00 0.00 C ATOM 185 CG LYS A 12 2.625 -0.383 9.693 1.00 0.00 C ATOM 186 CD LYS A 12 3.555 -1.409 10.319 1.00 0.00 C ATOM 187 CE LYS A 12 3.134 -1.753 11.738 1.00 0.00 C ATOM 188 NZ LYS A 12 3.299 -0.597 12.662 1.00 0.00 N ATOM 0 H LYS A 12 0.175 -1.291 6.767 1.00 0.00 H new ATOM 0 HA LYS A 12 2.782 -0.325 7.056 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.737 -0.429 8.687 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.356 -2.009 9.124 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.213 0.366 9.163 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.077 0.139 10.477 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.561 -2.314 9.711 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.574 -1.022 10.325 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.092 -2.073 11.740 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.727 -2.594 12.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.419 -0.945 13.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.137 -0.048 12.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.456 0.010 12.613 1.00 0.00 H new ATOM 202 N ALA A 13 2.509 -3.595 7.052 1.00 0.00 N ATOM 203 CA ALA A 13 3.272 -4.832 6.948 1.00 0.00 C ATOM 204 C ALA A 13 3.862 -4.948 5.550 1.00 0.00 C ATOM 205 O ALA A 13 4.874 -5.613 5.330 1.00 0.00 O ATOM 206 CB ALA A 13 2.391 -6.032 7.261 1.00 0.00 C ATOM 0 H ALA A 13 1.500 -3.711 6.954 1.00 0.00 H new ATOM 0 HA ALA A 13 4.083 -4.814 7.676 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.979 -6.946 7.178 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.001 -5.942 8.275 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.562 -6.069 6.555 1.00 0.00 H new ATOM 212 N LEU A 14 3.210 -4.268 4.614 1.00 0.00 N ATOM 213 CA LEU A 14 3.627 -4.240 3.223 1.00 0.00 C ATOM 214 C LEU A 14 4.990 -3.563 3.078 1.00 0.00 C ATOM 215 O LEU A 14 5.723 -3.815 2.121 1.00 0.00 O ATOM 216 CB LEU A 14 2.570 -3.491 2.411 1.00 0.00 C ATOM 217 CG LEU A 14 2.472 -3.878 0.934 1.00 0.00 C ATOM 218 CD1 LEU A 14 1.035 -4.225 0.577 1.00 0.00 C ATOM 219 CD2 LEU A 14 2.986 -2.755 0.044 1.00 0.00 C ATOM 0 H LEU A 14 2.372 -3.718 4.803 1.00 0.00 H new ATOM 0 HA LEU A 14 3.724 -5.260 2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.598 -3.654 2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.778 -2.423 2.475 1.00 0.00 H new ATOM 0 HG LEU A 14 3.097 -4.755 0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.978 -4.499 -0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.700 -5.063 1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.395 -3.362 0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.906 -3.054 -1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.391 -1.857 0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.029 -2.549 0.284 1.00 0.00 H new ATOM 231 N GLU A 15 5.313 -2.695 4.033 1.00 0.00 N ATOM 232 CA GLU A 15 6.573 -1.962 4.025 1.00 0.00 C ATOM 233 C GLU A 15 7.731 -2.845 4.487 1.00 0.00 C ATOM 234 O GLU A 15 8.808 -2.831 3.890 1.00 0.00 O ATOM 235 CB GLU A 15 6.451 -0.724 4.921 1.00 0.00 C ATOM 236 CG GLU A 15 7.773 -0.029 5.204 1.00 0.00 C ATOM 237 CD GLU A 15 7.612 1.193 6.088 1.00 0.00 C ATOM 238 OE1 GLU A 15 6.717 1.181 6.960 1.00 0.00 O ATOM 239 OE2 GLU A 15 8.380 2.161 5.909 1.00 0.00 O ATOM 0 H GLU A 15 4.712 -2.482 4.829 1.00 0.00 H new ATOM 0 HA GLU A 15 6.786 -1.649 3.003 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.773 -0.013 4.449 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.997 -1.017 5.868 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.454 -0.732 5.683 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.233 0.267 4.261 1.00 0.00 H new ATOM 246 N GLU A 16 7.505 -3.607 5.551 1.00 0.00 N ATOM 247 CA GLU A 16 8.534 -4.491 6.092 1.00 0.00 C ATOM 248 C GLU A 16 9.103 -5.404 5.008 1.00 0.00 C ATOM 249 O GLU A 16 10.264 -5.810 5.071 1.00 0.00 O ATOM 250 CB GLU A 16 7.962 -5.331 7.234 1.00 0.00 C ATOM 251 CG GLU A 16 7.508 -4.508 8.427 1.00 0.00 C ATOM 252 CD GLU A 16 8.627 -4.243 9.415 1.00 0.00 C ATOM 253 OE1 GLU A 16 8.986 -5.173 10.168 1.00 0.00 O ATOM 254 OE2 GLU A 16 9.146 -3.107 9.434 1.00 0.00 O ATOM 0 H GLU A 16 6.620 -3.631 6.057 1.00 0.00 H new ATOM 0 HA GLU A 16 9.344 -3.869 6.474 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.117 -5.910 6.860 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.717 -6.045 7.562 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.106 -3.558 8.076 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.696 -5.029 8.935 1.00 0.00 H new ATOM 261 N LYS A 17 8.278 -5.728 4.018 1.00 0.00 N ATOM 262 CA LYS A 17 8.697 -6.597 2.923 1.00 0.00 C ATOM 263 C LYS A 17 9.591 -5.853 1.934 1.00 0.00 C ATOM 264 O LYS A 17 10.668 -6.328 1.577 1.00 0.00 O ATOM 265 CB LYS A 17 7.475 -7.161 2.197 1.00 0.00 C ATOM 266 CG LYS A 17 7.708 -8.536 1.592 1.00 0.00 C ATOM 267 CD LYS A 17 7.359 -8.565 0.112 1.00 0.00 C ATOM 268 CE LYS A 17 7.674 -9.916 -0.509 1.00 0.00 C ATOM 269 NZ LYS A 17 6.879 -11.012 0.111 1.00 0.00 N ATOM 0 H LYS A 17 7.314 -5.402 3.951 1.00 0.00 H new ATOM 0 HA LYS A 17 9.273 -7.418 3.351 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.641 -7.218 2.897 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.182 -6.470 1.406 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.752 -8.820 1.726 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.106 -9.274 2.122 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.300 -8.342 -0.017 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.915 -7.786 -0.409 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.470 -9.880 -1.579 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.737 -10.129 -0.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.007 -11.887 -0.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.201 -11.165 1.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.872 -10.751 0.116 1.00 0.00 H new ATOM 283 N VAL A 18 9.132 -4.687 1.488 1.00 0.00 N ATOM 284 CA VAL A 18 9.886 -3.882 0.534 1.00 0.00 C ATOM 285 C VAL A 18 11.181 -3.360 1.144 1.00 0.00 C ATOM 286 O VAL A 18 12.260 -3.539 0.578 1.00 0.00 O ATOM 287 CB VAL A 18 9.061 -2.687 0.035 1.00 0.00 C ATOM 288 CG1 VAL A 18 9.798 -1.947 -1.072 1.00 0.00 C ATOM 289 CG2 VAL A 18 7.689 -3.141 -0.441 1.00 0.00 C ATOM 0 H VAL A 18 8.241 -4.279 1.772 1.00 0.00 H new ATOM 0 HA VAL A 18 10.121 -4.536 -0.305 1.00 0.00 H new ATOM 0 HB VAL A 18 8.921 -1.999 0.869 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.195 -1.104 -1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.752 -1.581 -0.693 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.975 -2.625 -1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.121 -2.279 -0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.805 -3.854 -1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.157 -3.616 0.383 1.00 0.00 H new ATOM 299 N LYS A 19 11.069 -2.705 2.294 1.00 0.00 N ATOM 300 CA LYS A 19 12.232 -2.146 2.975 1.00 0.00 C ATOM 301 C LYS A 19 13.342 -3.185 3.124 1.00 0.00 C ATOM 302 O LYS A 19 14.526 -2.846 3.134 1.00 0.00 O ATOM 303 CB LYS A 19 11.836 -1.608 4.350 1.00 0.00 C ATOM 304 CG LYS A 19 10.895 -0.419 4.284 1.00 0.00 C ATOM 305 CD LYS A 19 11.016 0.459 5.522 1.00 0.00 C ATOM 306 CE LYS A 19 11.359 1.898 5.162 1.00 0.00 C ATOM 307 NZ LYS A 19 12.612 2.353 5.826 1.00 0.00 N ATOM 0 H LYS A 19 10.184 -2.548 2.775 1.00 0.00 H new ATOM 0 HA LYS A 19 12.612 -1.327 2.364 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.362 -2.406 4.921 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.737 -1.320 4.892 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.116 0.172 3.395 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.868 -0.771 4.186 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.078 0.437 6.077 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.785 0.055 6.180 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.469 1.986 4.081 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.536 2.551 5.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.811 3.337 5.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.499 2.294 6.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.402 1.746 5.529 1.00 0.00 H new ATOM 321 N ALA A 20 12.952 -4.451 3.239 1.00 0.00 N ATOM 322 CA ALA A 20 13.916 -5.537 3.387 1.00 0.00 C ATOM 323 C ALA A 20 14.300 -6.131 2.033 1.00 0.00 C ATOM 324 O ALA A 20 15.242 -6.917 1.936 1.00 0.00 O ATOM 325 CB ALA A 20 13.355 -6.617 4.298 1.00 0.00 C ATOM 0 H ALA A 20 11.977 -4.750 3.233 1.00 0.00 H new ATOM 0 HA ALA A 20 14.819 -5.125 3.838 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.084 -7.421 4.400 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.144 -6.192 5.279 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.435 -7.013 3.869 1.00 0.00 H new ATOM 331 N LEU A 21 13.563 -5.755 0.992 1.00 0.00 N ATOM 332 CA LEU A 21 13.822 -6.250 -0.352 1.00 0.00 C ATOM 333 C LEU A 21 15.134 -5.696 -0.898 1.00 0.00 C ATOM 334 O LEU A 21 16.112 -6.428 -1.053 1.00 0.00 O ATOM 335 CB LEU A 21 12.664 -5.868 -1.275 1.00 0.00 C ATOM 336 CG LEU A 21 12.174 -6.983 -2.198 1.00 0.00 C ATOM 337 CD1 LEU A 21 10.926 -6.545 -2.951 1.00 0.00 C ATOM 338 CD2 LEU A 21 13.273 -7.393 -3.169 1.00 0.00 C ATOM 0 H LEU A 21 12.779 -5.106 1.056 1.00 0.00 H new ATOM 0 HA LEU A 21 13.907 -7.336 -0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.828 -5.531 -0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.972 -5.020 -1.887 1.00 0.00 H new ATOM 0 HG LEU A 21 11.917 -7.848 -1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 21 10.592 -7.352 -3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.137 -6.304 -2.239 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.154 -5.664 -3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.907 -8.188 -3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 21 13.563 -6.534 -3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.138 -7.751 -2.610 1.00 0.00 H new ATOM 371 N GLY A 25 14.291 -0.532 -9.773 1.00 0.00 N ATOM 372 CA GLY A 25 13.379 -0.935 -10.827 1.00 0.00 C ATOM 373 C GLY A 25 12.009 -1.310 -10.296 1.00 0.00 C ATOM 374 O GLY A 25 11.200 -0.439 -9.978 1.00 0.00 O ATOM 0 HA2 GLY A 25 13.277 -0.122 -11.545 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.802 -1.784 -11.364 1.00 0.00 H new ATOM 378 N ARG A 26 11.750 -2.609 -10.199 1.00 0.00 N ATOM 379 CA ARG A 26 10.469 -3.100 -9.701 1.00 0.00 C ATOM 380 C ARG A 26 10.186 -2.561 -8.302 1.00 0.00 C ATOM 381 O ARG A 26 9.207 -1.848 -8.085 1.00 0.00 O ATOM 382 CB ARG A 26 10.464 -4.632 -9.675 1.00 0.00 C ATOM 383 CG ARG A 26 9.188 -5.265 -10.216 1.00 0.00 C ATOM 384 CD ARG A 26 7.932 -4.626 -9.636 1.00 0.00 C ATOM 385 NE ARG A 26 6.973 -4.266 -10.680 1.00 0.00 N ATOM 386 CZ ARG A 26 6.701 -3.015 -11.054 1.00 0.00 C ATOM 387 NH1 ARG A 26 7.300 -1.986 -10.467 1.00 0.00 N ATOM 388 NH2 ARG A 26 5.820 -2.793 -12.019 1.00 0.00 N ATOM 0 H ARG A 26 12.410 -3.342 -10.459 1.00 0.00 H new ATOM 0 HA ARG A 26 9.687 -2.748 -10.374 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.311 -4.996 -10.257 1.00 0.00 H new ATOM 0 HB3 ARG A 26 10.615 -4.967 -8.649 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.172 -5.172 -11.302 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.189 -6.331 -9.987 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.464 -5.317 -8.935 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.205 -3.735 -9.071 1.00 0.00 H new ATOM 0 HE ARG A 26 6.479 -5.022 -11.154 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.977 -2.148 -9.721 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.084 -1.034 -10.762 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.352 -3.578 -12.473 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.610 -1.838 -12.308 1.00 0.00 H new ATOM 402 N ILE A 27 11.049 -2.917 -7.356 1.00 0.00 N ATOM 403 CA ILE A 27 10.900 -2.484 -5.971 1.00 0.00 C ATOM 404 C ILE A 27 10.827 -0.964 -5.858 1.00 0.00 C ATOM 405 O ILE A 27 10.211 -0.437 -4.934 1.00 0.00 O ATOM 406 CB ILE A 27 12.060 -2.995 -5.093 1.00 0.00 C ATOM 407 CG1 ILE A 27 12.255 -4.500 -5.288 1.00 0.00 C ATOM 408 CG2 ILE A 27 11.799 -2.674 -3.629 1.00 0.00 C ATOM 409 CD1 ILE A 27 13.494 -4.851 -6.081 1.00 0.00 C ATOM 0 H ILE A 27 11.863 -3.508 -7.525 1.00 0.00 H new ATOM 0 HA ILE A 27 9.963 -2.912 -5.615 1.00 0.00 H new ATOM 0 HB ILE A 27 12.975 -2.488 -5.398 1.00 0.00 H new ATOM 0 HG12 ILE A 27 12.310 -4.981 -4.311 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.381 -4.909 -5.795 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.627 -3.041 -3.023 1.00 0.00 H new ATOM 0 HG22 ILE A 27 11.708 -1.595 -3.504 1.00 0.00 H new ATOM 0 HG23 ILE A 27 10.874 -3.155 -3.310 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.568 -5.934 -6.180 1.00 0.00 H new ATOM 0 HD12 ILE A 27 13.432 -4.400 -7.071 1.00 0.00 H new ATOM 0 HD13 ILE A 27 14.376 -4.473 -5.564 1.00 0.00 H new ATOM 421 N GLU A 28 11.474 -0.266 -6.786 1.00 0.00 N ATOM 422 CA GLU A 28 11.490 1.196 -6.771 1.00 0.00 C ATOM 423 C GLU A 28 10.080 1.779 -6.854 1.00 0.00 C ATOM 424 O GLU A 28 9.672 2.559 -5.993 1.00 0.00 O ATOM 425 CB GLU A 28 12.342 1.724 -7.928 1.00 0.00 C ATOM 426 CG GLU A 28 13.705 2.238 -7.494 1.00 0.00 C ATOM 427 CD GLU A 28 14.466 2.899 -8.625 1.00 0.00 C ATOM 428 OE1 GLU A 28 13.968 3.910 -9.165 1.00 0.00 O ATOM 429 OE2 GLU A 28 15.561 2.408 -8.972 1.00 0.00 O ATOM 0 H GLU A 28 11.993 -0.686 -7.557 1.00 0.00 H new ATOM 0 HA GLU A 28 11.926 1.512 -5.823 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.479 0.928 -8.660 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.802 2.528 -8.429 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.578 2.952 -6.681 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.293 1.409 -7.101 1.00 0.00 H new ATOM 436 N GLU A 29 9.342 1.405 -7.895 1.00 0.00 N ATOM 437 CA GLU A 29 7.980 1.902 -8.086 1.00 0.00 C ATOM 438 C GLU A 29 7.093 1.543 -6.898 1.00 0.00 C ATOM 439 O GLU A 29 6.176 2.284 -6.545 1.00 0.00 O ATOM 440 CB GLU A 29 7.381 1.328 -9.373 1.00 0.00 C ATOM 441 CG GLU A 29 5.955 1.783 -9.643 1.00 0.00 C ATOM 442 CD GLU A 29 5.894 3.112 -10.370 1.00 0.00 C ATOM 443 OE1 GLU A 29 6.789 3.954 -10.143 1.00 0.00 O ATOM 444 OE2 GLU A 29 4.954 3.310 -11.168 1.00 0.00 O ATOM 0 H GLU A 29 9.662 0.761 -8.619 1.00 0.00 H new ATOM 0 HA GLU A 29 8.027 2.988 -8.165 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.010 1.616 -10.215 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.401 0.240 -9.318 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.442 1.025 -10.235 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.419 1.865 -8.698 1.00 0.00 H new ATOM 451 N LEU A 30 7.373 0.398 -6.291 1.00 0.00 N ATOM 452 CA LEU A 30 6.606 -0.077 -5.147 1.00 0.00 C ATOM 453 C LEU A 30 6.875 0.765 -3.903 1.00 0.00 C ATOM 454 O LEU A 30 6.080 0.764 -2.965 1.00 0.00 O ATOM 455 CB LEU A 30 6.940 -1.541 -4.861 1.00 0.00 C ATOM 456 CG LEU A 30 6.425 -2.536 -5.903 1.00 0.00 C ATOM 457 CD1 LEU A 30 7.436 -3.648 -6.127 1.00 0.00 C ATOM 458 CD2 LEU A 30 5.084 -3.110 -5.475 1.00 0.00 C ATOM 0 H LEU A 30 8.131 -0.223 -6.574 1.00 0.00 H new ATOM 0 HA LEU A 30 5.549 0.015 -5.396 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.023 -1.643 -4.786 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.527 -1.809 -3.889 1.00 0.00 H new ATOM 0 HG LEU A 30 6.287 -2.005 -6.845 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.051 -4.345 -6.871 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.374 -3.221 -6.481 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.609 -4.177 -5.190 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.733 -3.816 -6.228 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.196 -3.624 -4.520 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.360 -2.302 -5.369 1.00 0.00 H new ATOM 470 N LYS A 31 8.006 1.462 -3.889 1.00 0.00 N ATOM 471 CA LYS A 31 8.387 2.289 -2.749 1.00 0.00 C ATOM 472 C LYS A 31 7.632 3.615 -2.729 1.00 0.00 C ATOM 473 O LYS A 31 6.962 3.939 -1.752 1.00 0.00 O ATOM 474 CB LYS A 31 9.893 2.552 -2.773 1.00 0.00 C ATOM 475 CG LYS A 31 10.384 3.395 -1.608 1.00 0.00 C ATOM 476 CD LYS A 31 11.693 2.861 -1.046 1.00 0.00 C ATOM 477 CE LYS A 31 12.466 3.944 -0.312 1.00 0.00 C ATOM 478 NZ LYS A 31 13.892 3.568 -0.110 1.00 0.00 N ATOM 0 H LYS A 31 8.677 1.471 -4.657 1.00 0.00 H new ATOM 0 HA LYS A 31 8.123 1.742 -1.844 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.420 1.598 -2.767 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.151 3.053 -3.706 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.521 4.426 -1.936 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.628 3.408 -0.823 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.488 2.034 -0.366 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.303 2.463 -1.857 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.412 4.875 -0.877 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.999 4.131 0.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.385 4.333 0.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.944 2.694 0.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.345 3.414 -1.034 1.00 0.00 H new ATOM 492 N LYS A 32 7.758 4.387 -3.802 1.00 0.00 N ATOM 493 CA LYS A 32 7.100 5.688 -3.896 1.00 0.00 C ATOM 494 C LYS A 32 5.605 5.590 -3.599 1.00 0.00 C ATOM 495 O LYS A 32 5.097 6.250 -2.693 1.00 0.00 O ATOM 496 CB LYS A 32 7.317 6.288 -5.287 1.00 0.00 C ATOM 497 CG LYS A 32 7.670 7.766 -5.264 1.00 0.00 C ATOM 498 CD LYS A 32 6.425 8.637 -5.293 1.00 0.00 C ATOM 499 CE LYS A 32 6.752 10.061 -5.710 1.00 0.00 C ATOM 500 NZ LYS A 32 6.568 10.267 -7.173 1.00 0.00 N ATOM 0 H LYS A 32 8.311 4.135 -4.622 1.00 0.00 H new ATOM 0 HA LYS A 32 7.547 6.339 -3.144 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.114 5.740 -5.789 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.412 6.148 -5.879 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.250 7.989 -4.368 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.301 8.004 -6.120 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.698 8.212 -5.985 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.961 8.643 -4.307 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.114 10.755 -5.163 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.782 10.292 -5.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.801 11.251 -7.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.195 9.623 -7.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.579 10.072 -7.429 1.00 0.00 H new ATOM 514 N LYS A 33 4.905 4.774 -4.377 1.00 0.00 N ATOM 515 CA LYS A 33 3.464 4.595 -4.214 1.00 0.00 C ATOM 516 C LYS A 33 3.113 4.011 -2.844 1.00 0.00 C ATOM 517 O LYS A 33 1.999 4.187 -2.358 1.00 0.00 O ATOM 518 CB LYS A 33 2.915 3.696 -5.323 1.00 0.00 C ATOM 519 CG LYS A 33 1.799 4.340 -6.129 1.00 0.00 C ATOM 520 CD LYS A 33 0.727 3.330 -6.507 1.00 0.00 C ATOM 521 CE LYS A 33 -0.065 2.873 -5.292 1.00 0.00 C ATOM 522 NZ LYS A 33 -1.141 3.839 -4.934 1.00 0.00 N ATOM 0 H LYS A 33 5.313 4.222 -5.132 1.00 0.00 H new ATOM 0 HA LYS A 33 3.001 5.580 -4.282 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.728 3.425 -5.996 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.546 2.771 -4.880 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.351 5.148 -5.550 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.213 4.787 -7.033 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.050 3.773 -7.238 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.191 2.467 -6.985 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.506 1.897 -5.493 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.609 2.750 -4.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.321 3.794 -3.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.843 4.802 -5.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.011 3.597 -5.450 1.00 0.00 H new ATOM 536 N CYS A 34 4.057 3.296 -2.240 1.00 0.00 N ATOM 537 CA CYS A 34 3.834 2.667 -0.939 1.00 0.00 C ATOM 538 C CYS A 34 3.499 3.687 0.151 1.00 0.00 C ATOM 539 O CYS A 34 2.464 3.588 0.808 1.00 0.00 O ATOM 540 CB CYS A 34 5.077 1.877 -0.525 1.00 0.00 C ATOM 541 SG CYS A 34 4.763 0.114 -0.197 1.00 0.00 S ATOM 0 H CYS A 34 4.986 3.136 -2.630 1.00 0.00 H new ATOM 0 HA CYS A 34 2.978 2.001 -1.046 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.826 1.961 -1.312 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.502 2.332 0.370 1.00 0.00 H new ATOM 0 HG CYS A 34 5.623 -0.609 -0.851 1.00 0.00 H new ATOM 546 N GLU A 35 4.394 4.649 0.359 1.00 0.00 N ATOM 547 CA GLU A 35 4.202 5.663 1.392 1.00 0.00 C ATOM 548 C GLU A 35 3.026 6.581 1.077 1.00 0.00 C ATOM 549 O GLU A 35 2.125 6.741 1.894 1.00 0.00 O ATOM 550 CB GLU A 35 5.477 6.488 1.580 1.00 0.00 C ATOM 551 CG GLU A 35 6.083 6.967 0.275 1.00 0.00 C ATOM 552 CD GLU A 35 6.400 8.450 0.284 1.00 0.00 C ATOM 553 OE1 GLU A 35 5.696 9.201 0.992 1.00 0.00 O ATOM 554 OE2 GLU A 35 7.350 8.859 -0.415 1.00 0.00 O ATOM 0 H GLU A 35 5.258 4.748 -0.173 1.00 0.00 H new ATOM 0 HA GLU A 35 3.975 5.139 2.320 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.253 7.351 2.206 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.213 5.888 2.115 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.996 6.406 0.076 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.393 6.752 -0.541 1.00 0.00 H new ATOM 561 N GLU A 36 3.038 7.183 -0.109 1.00 0.00 N ATOM 562 CA GLU A 36 1.968 8.086 -0.520 1.00 0.00 C ATOM 563 C GLU A 36 0.594 7.469 -0.261 1.00 0.00 C ATOM 564 O GLU A 36 -0.389 8.177 -0.047 1.00 0.00 O ATOM 565 CB GLU A 36 2.111 8.438 -2.001 1.00 0.00 C ATOM 566 CG GLU A 36 1.350 9.690 -2.406 1.00 0.00 C ATOM 567 CD GLU A 36 0.085 9.379 -3.182 1.00 0.00 C ATOM 568 OE1 GLU A 36 -0.401 8.232 -3.090 1.00 0.00 O ATOM 569 OE2 GLU A 36 -0.420 10.282 -3.881 1.00 0.00 O ATOM 0 H GLU A 36 3.777 7.062 -0.802 1.00 0.00 H new ATOM 0 HA GLU A 36 2.051 8.996 0.074 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.167 8.574 -2.233 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.759 7.599 -2.601 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.093 10.259 -1.513 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.997 10.324 -3.012 1.00 0.00 H new ATOM 576 N LEU A 37 0.542 6.144 -0.296 1.00 0.00 N ATOM 577 CA LEU A 37 -0.698 5.409 -0.078 1.00 0.00 C ATOM 578 C LEU A 37 -1.139 5.485 1.384 1.00 0.00 C ATOM 579 O LEU A 37 -2.325 5.626 1.676 1.00 0.00 O ATOM 580 CB LEU A 37 -0.503 3.949 -0.504 1.00 0.00 C ATOM 581 CG LEU A 37 -1.579 2.966 -0.036 1.00 0.00 C ATOM 582 CD1 LEU A 37 -2.971 3.501 -0.341 1.00 0.00 C ATOM 583 CD2 LEU A 37 -1.376 1.605 -0.688 1.00 0.00 C ATOM 0 H LEU A 37 1.352 5.551 -0.475 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.484 5.863 -0.681 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.453 3.912 -1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.462 3.607 -0.129 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.489 2.851 1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.719 2.785 0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.116 4.451 0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.076 3.650 -1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.149 0.918 -0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.437 1.708 -1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.396 1.214 -0.415 1.00 0.00 H new ATOM 595 N LYS A 38 -0.179 5.381 2.296 1.00 0.00 N ATOM 596 CA LYS A 38 -0.472 5.428 3.726 1.00 0.00 C ATOM 597 C LYS A 38 -1.091 6.766 4.130 1.00 0.00 C ATOM 598 O LYS A 38 -2.196 6.810 4.670 1.00 0.00 O ATOM 599 CB LYS A 38 0.801 5.181 4.535 1.00 0.00 C ATOM 600 CG LYS A 38 1.111 3.708 4.745 1.00 0.00 C ATOM 601 CD LYS A 38 2.570 3.492 5.115 1.00 0.00 C ATOM 602 CE LYS A 38 2.779 2.150 5.797 1.00 0.00 C ATOM 603 NZ LYS A 38 3.781 2.235 6.896 1.00 0.00 N ATOM 0 H LYS A 38 0.809 5.264 2.072 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.197 4.642 3.940 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.642 5.652 4.026 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.704 5.666 5.507 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.472 3.310 5.533 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.879 3.153 3.836 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.186 3.545 4.217 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.901 4.293 5.776 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.830 1.795 6.198 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.109 1.416 5.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.541 1.545 6.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.184 3.193 6.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.319 2.026 7.804 1.00 0.00 H new ATOM 617 N LYS A 39 -0.370 7.853 3.870 1.00 0.00 N ATOM 618 CA LYS A 39 -0.841 9.192 4.211 1.00 0.00 C ATOM 619 C LYS A 39 -2.250 9.439 3.678 1.00 0.00 C ATOM 620 O LYS A 39 -3.008 10.227 4.244 1.00 0.00 O ATOM 621 CB LYS A 39 0.118 10.246 3.654 1.00 0.00 C ATOM 622 CG LYS A 39 0.172 10.280 2.136 1.00 0.00 C ATOM 623 CD LYS A 39 1.362 11.083 1.638 1.00 0.00 C ATOM 624 CE LYS A 39 1.165 12.573 1.871 1.00 0.00 C ATOM 625 NZ LYS A 39 2.459 13.278 2.081 1.00 0.00 N ATOM 0 H LYS A 39 0.546 7.832 3.422 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.871 9.268 5.298 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.182 11.228 4.020 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.119 10.054 4.040 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.232 9.262 1.750 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.749 10.714 1.748 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.266 10.750 2.148 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.509 10.896 0.574 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.649 13.009 1.016 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.525 12.723 2.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.281 14.291 2.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.940 12.880 2.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.061 13.157 1.241 1.00 0.00 H new ATOM 639 N LYS A 40 -2.595 8.763 2.587 1.00 0.00 N ATOM 640 CA LYS A 40 -3.914 8.915 1.983 1.00 0.00 C ATOM 641 C LYS A 40 -4.993 8.296 2.869 1.00 0.00 C ATOM 642 O LYS A 40 -6.143 8.735 2.858 1.00 0.00 O ATOM 643 CB LYS A 40 -3.941 8.270 0.597 1.00 0.00 C ATOM 644 CG LYS A 40 -5.245 8.493 -0.154 1.00 0.00 C ATOM 645 CD LYS A 40 -5.250 9.829 -0.881 1.00 0.00 C ATOM 646 CE LYS A 40 -5.030 9.655 -2.375 1.00 0.00 C ATOM 647 NZ LYS A 40 -3.669 10.094 -2.791 1.00 0.00 N ATOM 0 H LYS A 40 -1.982 8.106 2.104 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.120 9.981 1.883 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.118 8.668 0.004 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.770 7.199 0.701 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.395 7.687 -0.872 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.080 8.456 0.546 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.201 10.334 -0.709 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.470 10.470 -0.470 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.171 8.608 -2.643 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.779 10.228 -2.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.559 9.959 -3.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.542 11.100 -2.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.954 9.530 -2.289 1.00 0.00 H new ATOM 661 N ILE A 41 -4.615 7.280 3.636 1.00 0.00 N ATOM 662 CA ILE A 41 -5.553 6.612 4.530 1.00 0.00 C ATOM 663 C ILE A 41 -5.834 7.473 5.756 1.00 0.00 C ATOM 664 O ILE A 41 -6.933 7.442 6.310 1.00 0.00 O ATOM 665 CB ILE A 41 -5.024 5.238 4.988 1.00 0.00 C ATOM 666 CG1 ILE A 41 -4.405 4.483 3.809 1.00 0.00 C ATOM 667 CG2 ILE A 41 -6.146 4.426 5.618 1.00 0.00 C ATOM 668 CD1 ILE A 41 -3.950 3.082 4.155 1.00 0.00 C ATOM 0 H ILE A 41 -3.668 6.902 3.657 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.475 6.460 3.969 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.248 5.394 5.738 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.134 4.429 3.000 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.553 5.050 3.433 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.760 3.458 5.937 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.542 4.961 6.481 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.941 4.276 4.888 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.523 2.609 3.271 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.197 3.128 4.942 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.802 2.498 4.502 1.00 0.00 H new ATOM 680 N GLU A 42 -4.836 8.247 6.168 1.00 0.00 N ATOM 681 CA GLU A 42 -4.976 9.124 7.323 1.00 0.00 C ATOM 682 C GLU A 42 -5.926 10.274 7.005 1.00 0.00 C ATOM 683 O GLU A 42 -6.636 10.768 7.881 1.00 0.00 O ATOM 684 CB GLU A 42 -3.612 9.673 7.745 1.00 0.00 C ATOM 685 CG GLU A 42 -2.957 8.876 8.863 1.00 0.00 C ATOM 686 CD GLU A 42 -1.606 9.436 9.264 1.00 0.00 C ATOM 687 OE1 GLU A 42 -0.911 9.993 8.388 1.00 0.00 O ATOM 688 OE2 GLU A 42 -1.244 9.320 10.453 1.00 0.00 O ATOM 0 H GLU A 42 -3.921 8.284 5.719 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.391 8.543 8.147 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.949 9.682 6.880 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.729 10.708 8.068 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.615 8.868 9.732 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.837 7.841 8.544 1.00 0.00 H new ATOM 695 N GLU A 43 -5.941 10.688 5.741 1.00 0.00 N ATOM 696 CA GLU A 43 -6.809 11.773 5.302 1.00 0.00 C ATOM 697 C GLU A 43 -8.250 11.289 5.184 1.00 0.00 C ATOM 698 O GLU A 43 -9.196 12.057 5.363 1.00 0.00 O ATOM 699 CB GLU A 43 -6.322 12.338 3.961 1.00 0.00 C ATOM 700 CG GLU A 43 -6.564 11.425 2.767 1.00 0.00 C ATOM 701 CD GLU A 43 -6.967 12.191 1.522 1.00 0.00 C ATOM 702 OE1 GLU A 43 -6.066 12.683 0.811 1.00 0.00 O ATOM 703 OE2 GLU A 43 -8.183 12.299 1.259 1.00 0.00 O ATOM 0 H GLU A 43 -5.361 10.287 5.004 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.772 12.568 6.047 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.819 13.291 3.780 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.254 12.544 4.034 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.659 10.854 2.561 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.345 10.706 3.016 1.00 0.00 H new ATOM 710 N LEU A 44 -8.405 10.003 4.883 1.00 0.00 N ATOM 711 CA LEU A 44 -9.721 9.395 4.737 1.00 0.00 C ATOM 712 C LEU A 44 -10.552 9.582 6.003 1.00 0.00 C ATOM 713 O LEU A 44 -10.105 10.207 6.965 1.00 0.00 O ATOM 714 CB LEU A 44 -9.573 7.904 4.417 1.00 0.00 C ATOM 715 CG LEU A 44 -9.859 7.521 2.965 1.00 0.00 C ATOM 716 CD1 LEU A 44 -9.717 6.020 2.773 1.00 0.00 C ATOM 717 CD2 LEU A 44 -11.248 7.985 2.556 1.00 0.00 C ATOM 0 H LEU A 44 -7.628 9.359 4.735 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.240 9.889 3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.558 7.594 4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.245 7.341 5.064 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.130 8.019 2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.924 5.765 1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.702 5.715 3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.423 5.502 3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.435 7.704 1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.992 7.516 3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.314 9.068 2.656 1.00 0.00 H new ATOM 757 N GLU A 49 -15.086 6.887 -0.102 1.00 0.00 N ATOM 758 CA GLU A 49 -13.770 6.963 -0.725 1.00 0.00 C ATOM 759 C GLU A 49 -12.871 5.825 -0.249 1.00 0.00 C ATOM 760 O GLU A 49 -11.893 5.476 -0.909 1.00 0.00 O ATOM 761 CB GLU A 49 -13.114 8.310 -0.415 1.00 0.00 C ATOM 762 CG GLU A 49 -11.742 8.479 -1.049 1.00 0.00 C ATOM 763 CD GLU A 49 -11.570 9.829 -1.717 1.00 0.00 C ATOM 764 OE1 GLU A 49 -12.398 10.171 -2.587 1.00 0.00 O ATOM 765 OE2 GLU A 49 -10.606 10.545 -1.369 1.00 0.00 O ATOM 0 HA GLU A 49 -13.902 6.868 -1.803 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.767 9.111 -0.762 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.022 8.420 0.666 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.975 8.356 -0.284 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.587 7.691 -1.786 1.00 0.00 H new ATOM 772 N VAL A 50 -13.208 5.250 0.904 1.00 0.00 N ATOM 773 CA VAL A 50 -12.433 4.152 1.471 1.00 0.00 C ATOM 774 C VAL A 50 -12.197 3.046 0.447 1.00 0.00 C ATOM 775 O VAL A 50 -11.191 2.339 0.503 1.00 0.00 O ATOM 776 CB VAL A 50 -13.137 3.555 2.705 1.00 0.00 C ATOM 777 CG1 VAL A 50 -14.473 2.938 2.319 1.00 0.00 C ATOM 778 CG2 VAL A 50 -12.244 2.530 3.387 1.00 0.00 C ATOM 0 H VAL A 50 -14.014 5.528 1.463 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.471 4.567 1.770 1.00 0.00 H new ATOM 0 HB VAL A 50 -13.330 4.362 3.412 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -14.952 2.523 3.206 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -15.115 3.704 1.885 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.310 2.145 1.590 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.759 2.120 4.256 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.014 1.726 2.688 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.318 3.009 3.706 1.00 0.00 H new ATOM 788 N LYS A 51 -13.133 2.901 -0.484 1.00 0.00 N ATOM 789 CA LYS A 51 -13.030 1.879 -1.520 1.00 0.00 C ATOM 790 C LYS A 51 -11.951 2.235 -2.540 1.00 0.00 C ATOM 791 O LYS A 51 -11.331 1.353 -3.133 1.00 0.00 O ATOM 792 CB LYS A 51 -14.376 1.704 -2.226 1.00 0.00 C ATOM 793 CG LYS A 51 -14.526 0.363 -2.926 1.00 0.00 C ATOM 794 CD LYS A 51 -15.744 0.340 -3.835 1.00 0.00 C ATOM 795 CE LYS A 51 -16.918 -0.368 -3.177 1.00 0.00 C ATOM 796 NZ LYS A 51 -17.065 -1.768 -3.661 1.00 0.00 N ATOM 0 H LYS A 51 -13.972 3.478 -0.543 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.751 0.941 -1.040 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -15.177 1.815 -1.495 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.500 2.502 -2.958 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -13.630 0.155 -3.511 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -14.611 -0.429 -2.182 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -16.029 1.361 -4.088 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -15.492 -0.162 -4.769 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -16.781 -0.370 -2.096 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -17.835 0.185 -3.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -17.876 -2.215 -3.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -17.222 -1.765 -4.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -16.200 -2.303 -3.444 1.00 0.00 H new ATOM 810 N LYS A 52 -11.734 3.532 -2.740 1.00 0.00 N ATOM 811 CA LYS A 52 -10.732 4.000 -3.692 1.00 0.00 C ATOM 812 C LYS A 52 -9.324 3.651 -3.217 1.00 0.00 C ATOM 813 O LYS A 52 -8.573 2.977 -3.920 1.00 0.00 O ATOM 814 CB LYS A 52 -10.861 5.513 -3.890 1.00 0.00 C ATOM 815 CG LYS A 52 -9.728 6.126 -4.700 1.00 0.00 C ATOM 816 CD LYS A 52 -10.068 7.535 -5.154 1.00 0.00 C ATOM 817 CE LYS A 52 -10.914 7.524 -6.418 1.00 0.00 C ATOM 818 NZ LYS A 52 -10.942 8.858 -7.080 1.00 0.00 N ATOM 0 H LYS A 52 -12.237 4.276 -2.257 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.905 3.499 -4.645 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.807 5.725 -4.388 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.899 5.996 -2.913 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.819 6.146 -4.099 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.522 5.502 -5.570 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.605 8.055 -4.360 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.149 8.092 -5.335 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.519 6.782 -7.112 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.931 7.220 -6.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.529 8.808 -7.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.342 9.561 -6.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.974 9.137 -7.339 1.00 0.00 H new ATOM 832 N VAL A 53 -8.974 4.113 -2.022 1.00 0.00 N ATOM 833 CA VAL A 53 -7.656 3.847 -1.456 1.00 0.00 C ATOM 834 C VAL A 53 -7.415 2.348 -1.310 1.00 0.00 C ATOM 835 O VAL A 53 -6.271 1.894 -1.318 1.00 0.00 O ATOM 836 CB VAL A 53 -7.485 4.524 -0.082 1.00 0.00 C ATOM 837 CG1 VAL A 53 -6.073 4.319 0.447 1.00 0.00 C ATOM 838 CG2 VAL A 53 -7.816 6.006 -0.173 1.00 0.00 C ATOM 0 H VAL A 53 -9.584 4.673 -1.426 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.924 4.264 -2.148 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.180 4.060 0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.974 4.805 1.418 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.876 3.252 0.553 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.357 4.753 -0.251 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.690 6.468 0.806 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.148 6.485 -0.889 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.848 6.129 -0.502 1.00 0.00 H new ATOM 848 N GLU A 54 -8.495 1.584 -1.180 1.00 0.00 N ATOM 849 CA GLU A 54 -8.393 0.137 -1.038 1.00 0.00 C ATOM 850 C GLU A 54 -7.829 -0.485 -2.310 1.00 0.00 C ATOM 851 O GLU A 54 -7.055 -1.441 -2.258 1.00 0.00 O ATOM 852 CB GLU A 54 -9.764 -0.466 -0.724 1.00 0.00 C ATOM 853 CG GLU A 54 -9.693 -1.872 -0.152 1.00 0.00 C ATOM 854 CD GLU A 54 -8.959 -1.927 1.173 1.00 0.00 C ATOM 855 OE1 GLU A 54 -7.717 -2.063 1.159 1.00 0.00 O ATOM 856 OE2 GLU A 54 -9.625 -1.830 2.225 1.00 0.00 O ATOM 0 H GLU A 54 -9.450 1.943 -1.170 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.716 -0.080 -0.212 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.282 0.180 -0.015 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.362 -0.483 -1.635 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.704 -2.257 -0.019 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.194 -2.526 -0.867 1.00 0.00 H new ATOM 863 N GLU A 55 -8.221 0.070 -3.452 1.00 0.00 N ATOM 864 CA GLU A 55 -7.754 -0.420 -4.743 1.00 0.00 C ATOM 865 C GLU A 55 -6.296 -0.031 -4.973 1.00 0.00 C ATOM 866 O GLU A 55 -5.564 -0.717 -5.687 1.00 0.00 O ATOM 867 CB GLU A 55 -8.628 0.139 -5.868 1.00 0.00 C ATOM 868 CG GLU A 55 -8.233 -0.358 -7.249 1.00 0.00 C ATOM 869 CD GLU A 55 -9.101 -1.506 -7.725 1.00 0.00 C ATOM 870 OE1 GLU A 55 -9.297 -2.464 -6.948 1.00 0.00 O ATOM 871 OE2 GLU A 55 -9.585 -1.449 -8.875 1.00 0.00 O ATOM 0 H GLU A 55 -8.862 0.861 -3.509 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.826 -1.508 -4.743 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.667 -0.130 -5.678 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.573 1.227 -5.853 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.302 0.465 -7.961 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.191 -0.678 -7.232 1.00 0.00 H new ATOM 878 N GLU A 56 -5.883 1.075 -4.362 1.00 0.00 N ATOM 879 CA GLU A 56 -4.516 1.563 -4.493 1.00 0.00 C ATOM 880 C GLU A 56 -3.535 0.646 -3.767 1.00 0.00 C ATOM 881 O GLU A 56 -2.372 0.534 -4.152 1.00 0.00 O ATOM 882 CB GLU A 56 -4.411 2.983 -3.933 1.00 0.00 C ATOM 883 CG GLU A 56 -4.898 4.055 -4.894 1.00 0.00 C ATOM 884 CD GLU A 56 -4.777 5.452 -4.318 1.00 0.00 C ATOM 885 OE1 GLU A 56 -5.289 5.680 -3.202 1.00 0.00 O ATOM 886 OE2 GLU A 56 -4.169 6.318 -4.982 1.00 0.00 O ATOM 0 H GLU A 56 -6.479 1.652 -3.769 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.258 1.571 -5.552 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.989 3.044 -3.011 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.372 3.186 -3.672 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.324 3.996 -5.819 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.939 3.861 -5.152 1.00 0.00 H new ATOM 893 N VAL A 57 -4.016 -0.008 -2.715 1.00 0.00 N ATOM 894 CA VAL A 57 -3.188 -0.918 -1.931 1.00 0.00 C ATOM 895 C VAL A 57 -3.126 -2.298 -2.574 1.00 0.00 C ATOM 896 O VAL A 57 -2.174 -3.046 -2.366 1.00 0.00 O ATOM 897 CB VAL A 57 -3.717 -1.059 -0.490 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.745 -1.861 0.361 1.00 0.00 C ATOM 899 CG2 VAL A 57 -3.975 0.310 0.125 1.00 0.00 C ATOM 0 H VAL A 57 -4.977 0.075 -2.385 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.187 -0.488 -1.903 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.664 -1.598 -0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.136 -1.949 1.375 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.621 -2.855 -0.068 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.780 -1.354 0.387 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.348 0.188 1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.047 0.881 0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.716 0.843 -0.471 1.00 0.00 H new ATOM 909 N LYS A 58 -4.156 -2.630 -3.345 1.00 0.00 N ATOM 910 CA LYS A 58 -4.231 -3.923 -4.016 1.00 0.00 C ATOM 911 C LYS A 58 -3.294 -3.984 -5.220 1.00 0.00 C ATOM 912 O LYS A 58 -2.836 -5.059 -5.601 1.00 0.00 O ATOM 913 CB LYS A 58 -5.667 -4.202 -4.460 1.00 0.00 C ATOM 914 CG LYS A 58 -6.349 -5.298 -3.660 1.00 0.00 C ATOM 915 CD LYS A 58 -6.819 -4.791 -2.306 1.00 0.00 C ATOM 916 CE LYS A 58 -7.674 -5.824 -1.590 1.00 0.00 C ATOM 917 NZ LYS A 58 -7.818 -5.520 -0.140 1.00 0.00 N ATOM 0 H LYS A 58 -4.953 -2.019 -3.521 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.916 -4.686 -3.305 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.250 -3.285 -4.374 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.665 -4.481 -5.514 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.201 -5.683 -4.221 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.659 -6.130 -3.518 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.955 -4.542 -1.690 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.391 -3.873 -2.439 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.660 -5.862 -2.052 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.228 -6.811 -1.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.408 -6.248 0.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.879 -5.509 0.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.268 -4.589 -0.023 1.00 0.00 H new ATOM 931 N LYS A 59 -3.030 -2.833 -5.829 1.00 0.00 N ATOM 932 CA LYS A 59 -2.163 -2.772 -7.003 1.00 0.00 C ATOM 933 C LYS A 59 -0.691 -2.926 -6.625 1.00 0.00 C ATOM 934 O LYS A 59 0.072 -3.577 -7.337 1.00 0.00 O ATOM 935 CB LYS A 59 -2.372 -1.452 -7.750 1.00 0.00 C ATOM 936 CG LYS A 59 -1.488 -1.299 -8.977 1.00 0.00 C ATOM 937 CD LYS A 59 -0.254 -0.460 -8.676 1.00 0.00 C ATOM 938 CE LYS A 59 -0.611 1.002 -8.455 1.00 0.00 C ATOM 939 NZ LYS A 59 0.094 1.896 -9.415 1.00 0.00 N ATOM 0 H LYS A 59 -3.402 -1.931 -5.531 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.433 -3.604 -7.654 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.416 -1.378 -8.054 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.179 -0.624 -7.068 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.182 -2.283 -9.331 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.058 -0.834 -9.781 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.245 -0.851 -7.790 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.453 -0.542 -9.502 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.688 1.133 -8.561 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.353 1.289 -7.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.176 2.884 -9.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.122 1.790 -9.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.171 1.639 -10.387 1.00 0.00 H new ATOM 953 N LEU A 60 -0.291 -2.317 -5.513 1.00 0.00 N ATOM 954 CA LEU A 60 1.096 -2.392 -5.066 1.00 0.00 C ATOM 955 C LEU A 60 1.401 -3.734 -4.414 1.00 0.00 C ATOM 956 O LEU A 60 2.548 -4.168 -4.388 1.00 0.00 O ATOM 957 CB LEU A 60 1.416 -1.263 -4.088 1.00 0.00 C ATOM 958 CG LEU A 60 2.906 -0.953 -3.951 1.00 0.00 C ATOM 959 CD1 LEU A 60 3.166 0.531 -4.127 1.00 0.00 C ATOM 960 CD2 LEU A 60 3.436 -1.436 -2.610 1.00 0.00 C ATOM 0 H LEU A 60 -0.903 -1.769 -4.908 1.00 0.00 H new ATOM 0 HA LEU A 60 1.724 -2.287 -5.951 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.897 -0.360 -4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.020 -1.525 -3.107 1.00 0.00 H new ATOM 0 HG LEU A 60 3.437 -1.487 -4.739 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.233 0.728 -4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.832 0.844 -5.116 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.620 1.089 -3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.499 -1.205 -2.534 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.898 -0.936 -1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.292 -2.513 -2.529 1.00 0.00 H new ATOM 972 N GLU A 61 0.373 -4.386 -3.889 1.00 0.00 N ATOM 973 CA GLU A 61 0.543 -5.680 -3.244 1.00 0.00 C ATOM 974 C GLU A 61 0.908 -6.741 -4.276 1.00 0.00 C ATOM 975 O GLU A 61 1.923 -7.427 -4.149 1.00 0.00 O ATOM 976 CB GLU A 61 -0.741 -6.070 -2.515 1.00 0.00 C ATOM 977 CG GLU A 61 -0.502 -6.660 -1.136 1.00 0.00 C ATOM 978 CD GLU A 61 -1.424 -7.824 -0.831 1.00 0.00 C ATOM 979 OE1 GLU A 61 -1.833 -8.522 -1.783 1.00 0.00 O ATOM 980 OE2 GLU A 61 -1.737 -8.038 0.359 1.00 0.00 O ATOM 0 H GLU A 61 -0.587 -4.040 -3.897 1.00 0.00 H new ATOM 0 HA GLU A 61 1.354 -5.609 -2.519 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.376 -5.189 -2.419 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.288 -6.793 -3.121 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.533 -6.993 -1.062 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.642 -5.884 -0.384 1.00 0.00 H new ATOM 987 N GLU A 62 0.071 -6.863 -5.300 1.00 0.00 N ATOM 988 CA GLU A 62 0.290 -7.826 -6.368 1.00 0.00 C ATOM 989 C GLU A 62 1.568 -7.505 -7.140 1.00 0.00 C ATOM 990 O GLU A 62 2.196 -8.391 -7.719 1.00 0.00 O ATOM 991 CB GLU A 62 -0.907 -7.826 -7.320 1.00 0.00 C ATOM 992 CG GLU A 62 -1.257 -9.201 -7.857 1.00 0.00 C ATOM 993 CD GLU A 62 -2.429 -9.173 -8.818 1.00 0.00 C ATOM 994 OE1 GLU A 62 -3.408 -8.449 -8.538 1.00 0.00 O ATOM 995 OE2 GLU A 62 -2.369 -9.873 -9.850 1.00 0.00 O ATOM 0 H GLU A 62 -0.772 -6.300 -5.411 1.00 0.00 H new ATOM 0 HA GLU A 62 0.399 -8.814 -5.922 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.774 -7.417 -6.801 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.694 -7.162 -8.157 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.388 -9.621 -8.363 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.492 -9.863 -7.024 1.00 0.00 H new ATOM 1002 N GLU A 63 1.943 -6.229 -7.143 1.00 0.00 N ATOM 1003 CA GLU A 63 3.143 -5.783 -7.843 1.00 0.00 C ATOM 1004 C GLU A 63 4.388 -6.470 -7.288 1.00 0.00 C ATOM 1005 O GLU A 63 5.183 -7.036 -8.039 1.00 0.00 O ATOM 1006 CB GLU A 63 3.279 -4.262 -7.729 1.00 0.00 C ATOM 1007 CG GLU A 63 2.755 -3.512 -8.943 1.00 0.00 C ATOM 1008 CD GLU A 63 3.654 -2.361 -9.351 1.00 0.00 C ATOM 1009 OE1 GLU A 63 4.438 -1.890 -8.500 1.00 0.00 O ATOM 1010 OE2 GLU A 63 3.574 -1.930 -10.520 1.00 0.00 O ATOM 0 H GLU A 63 1.432 -5.485 -6.668 1.00 0.00 H new ATOM 0 HA GLU A 63 3.049 -6.055 -8.894 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.742 -3.923 -6.843 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.329 -4.009 -7.581 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.656 -4.205 -9.779 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.757 -3.130 -8.726 1.00 0.00 H new ATOM 1017 N ILE A 64 4.549 -6.419 -5.971 1.00 0.00 N ATOM 1018 CA ILE A 64 5.690 -7.036 -5.310 1.00 0.00 C ATOM 1019 C ILE A 64 5.735 -8.537 -5.588 1.00 0.00 C ATOM 1020 O ILE A 64 6.799 -9.156 -5.547 1.00 0.00 O ATOM 1021 CB ILE A 64 5.644 -6.802 -3.785 1.00 0.00 C ATOM 1022 CG1 ILE A 64 5.451 -5.312 -3.480 1.00 0.00 C ATOM 1023 CG2 ILE A 64 6.916 -7.323 -3.127 1.00 0.00 C ATOM 1024 CD1 ILE A 64 5.485 -4.982 -2.002 1.00 0.00 C ATOM 0 H ILE A 64 3.899 -5.954 -5.338 1.00 0.00 H new ATOM 0 HA ILE A 64 6.589 -6.569 -5.713 1.00 0.00 H new ATOM 0 HB ILE A 64 4.796 -7.351 -3.375 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.229 -4.743 -3.988 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.497 -4.986 -3.894 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.867 -7.150 -2.052 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.013 -8.392 -3.318 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.779 -6.801 -3.539 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.342 -3.910 -1.865 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.689 -5.523 -1.490 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.449 -5.275 -1.586 1.00 0.00 H new ATOM 1036 N LYS A 65 4.574 -9.118 -5.873 1.00 0.00 N ATOM 1037 CA LYS A 65 4.483 -10.545 -6.160 1.00 0.00 C ATOM 1038 C LYS A 65 5.306 -10.904 -7.394 1.00 0.00 C ATOM 1039 O LYS A 65 5.890 -11.985 -7.471 1.00 0.00 O ATOM 1040 CB LYS A 65 3.022 -10.953 -6.366 1.00 0.00 C ATOM 1041 CG LYS A 65 2.572 -12.080 -5.453 1.00 0.00 C ATOM 1042 CD LYS A 65 2.513 -11.630 -4.002 1.00 0.00 C ATOM 1043 CE LYS A 65 1.095 -11.268 -3.586 1.00 0.00 C ATOM 1044 NZ LYS A 65 0.739 -11.850 -2.262 1.00 0.00 N ATOM 0 H LYS A 65 3.683 -8.623 -5.911 1.00 0.00 H new ATOM 0 HA LYS A 65 4.886 -11.090 -5.307 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.384 -10.085 -6.200 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.881 -11.258 -7.403 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.589 -12.433 -5.766 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.258 -12.922 -5.547 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.890 -12.425 -3.358 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.166 -10.768 -3.861 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.994 -10.183 -3.545 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.393 -11.625 -4.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.235 -11.580 -2.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.810 -12.887 -2.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.393 -11.490 -1.538 1.00 0.00 H new ATOM 1058 N LYS A 66 5.349 -9.989 -8.359 1.00 0.00 N ATOM 1059 CA LYS A 66 6.102 -10.210 -9.588 1.00 0.00 C ATOM 1060 C LYS A 66 7.585 -10.396 -9.287 1.00 0.00 C ATOM 1061 O LYS A 66 8.147 -11.465 -9.522 1.00 0.00 O ATOM 1062 CB LYS A 66 5.906 -9.034 -10.549 1.00 0.00 C ATOM 1063 CG LYS A 66 4.812 -9.266 -11.579 1.00 0.00 C ATOM 1064 CD LYS A 66 5.373 -9.315 -12.992 1.00 0.00 C ATOM 1065 CE LYS A 66 5.644 -10.744 -13.436 1.00 0.00 C ATOM 1066 NZ LYS A 66 5.771 -10.852 -14.915 1.00 0.00 N ATOM 0 H LYS A 66 4.871 -9.089 -8.313 1.00 0.00 H new ATOM 0 HA LYS A 66 5.728 -11.119 -10.058 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.667 -8.140 -9.972 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.845 -8.838 -11.066 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.297 -10.201 -11.359 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.071 -8.470 -11.509 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.669 -8.847 -13.680 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.296 -8.738 -13.038 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.560 -11.102 -12.966 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.836 -11.390 -13.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.955 -11.842 -15.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.888 -10.534 -15.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.559 -10.256 -15.240 1.00 0.00 H new