USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=8 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+ 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -121:sc= 0.486 (180deg=-0.234) USER MOD Single : A 34 CYS SG : rot 180:sc= -2.98! USER MOD Single : A 38 LYS NZ :NH3+ -105:sc= -0.674 (180deg=-1.51!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -142:sc= -0.362 (180deg=-1.33!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -157:sc= -0.58 (180deg=-1) USER MOD Single : A 58 LYS NZ :NH3+ 148:sc= -0.174 (180deg=-0.877) USER MOD Single : A 59 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.043) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 159:sc= -0.0418 (180deg=-0.24) USER MOD ----------------------------------------------------------------- ATOM 93 N LEU A 7 -7.210 -1.188 7.359 1.00 0.00 N ATOM 94 CA LEU A 7 -6.560 -0.900 6.086 1.00 0.00 C ATOM 95 C LEU A 7 -5.162 -0.322 6.296 1.00 0.00 C ATOM 96 O LEU A 7 -4.258 -0.555 5.494 1.00 0.00 O ATOM 97 CB LEU A 7 -7.412 0.084 5.278 1.00 0.00 C ATOM 98 CG LEU A 7 -7.489 -0.202 3.778 1.00 0.00 C ATOM 99 CD1 LEU A 7 -8.258 0.899 3.064 1.00 0.00 C ATOM 100 CD2 LEU A 7 -6.093 -0.347 3.191 1.00 0.00 C ATOM 0 HA LEU A 7 -6.462 -1.836 5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.423 0.083 5.684 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.012 1.088 5.420 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.022 -1.142 3.633 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.303 0.679 1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.270 0.955 3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.753 1.853 3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.167 -0.550 2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.535 0.576 3.347 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.576 -1.171 3.682 1.00 0.00 H new ATOM 112 N GLU A 8 -4.996 0.441 7.371 1.00 0.00 N ATOM 113 CA GLU A 8 -3.711 1.062 7.677 1.00 0.00 C ATOM 114 C GLU A 8 -2.709 0.041 8.209 1.00 0.00 C ATOM 115 O GLU A 8 -1.503 0.184 8.008 1.00 0.00 O ATOM 116 CB GLU A 8 -3.900 2.189 8.694 1.00 0.00 C ATOM 117 CG GLU A 8 -4.833 3.288 8.211 1.00 0.00 C ATOM 118 CD GLU A 8 -5.296 4.195 9.335 1.00 0.00 C ATOM 119 OE1 GLU A 8 -4.587 4.280 10.359 1.00 0.00 O ATOM 120 OE2 GLU A 8 -6.367 4.821 9.189 1.00 0.00 O ATOM 0 H GLU A 8 -5.734 0.645 8.045 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.311 1.474 6.751 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.293 1.770 9.620 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.928 2.624 8.928 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.324 3.885 7.454 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.702 2.837 7.731 1.00 0.00 H new ATOM 127 N GLU A 9 -3.208 -0.986 8.887 1.00 0.00 N ATOM 128 CA GLU A 9 -2.345 -2.023 9.443 1.00 0.00 C ATOM 129 C GLU A 9 -1.875 -2.986 8.355 1.00 0.00 C ATOM 130 O GLU A 9 -0.832 -3.627 8.488 1.00 0.00 O ATOM 131 CB GLU A 9 -3.077 -2.790 10.548 1.00 0.00 C ATOM 132 CG GLU A 9 -4.234 -3.637 10.042 1.00 0.00 C ATOM 133 CD GLU A 9 -4.572 -4.780 10.979 1.00 0.00 C ATOM 134 OE1 GLU A 9 -4.250 -4.678 12.181 1.00 0.00 O ATOM 135 OE2 GLU A 9 -5.158 -5.778 10.509 1.00 0.00 O ATOM 0 H GLU A 9 -4.203 -1.123 9.065 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.468 -1.538 9.871 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.365 -3.435 11.063 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.453 -2.079 11.283 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.113 -3.005 9.913 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.983 -4.039 9.060 1.00 0.00 H new ATOM 142 N LYS A 10 -2.651 -3.083 7.281 1.00 0.00 N ATOM 143 CA LYS A 10 -2.317 -3.967 6.170 1.00 0.00 C ATOM 144 C LYS A 10 -1.068 -3.477 5.444 1.00 0.00 C ATOM 145 O LYS A 10 -0.116 -4.230 5.243 1.00 0.00 O ATOM 146 CB LYS A 10 -3.494 -4.052 5.193 1.00 0.00 C ATOM 147 CG LYS A 10 -4.039 -5.460 5.018 1.00 0.00 C ATOM 148 CD LYS A 10 -5.553 -5.460 4.883 1.00 0.00 C ATOM 149 CE LYS A 10 -6.033 -6.579 3.972 1.00 0.00 C ATOM 150 NZ LYS A 10 -6.514 -7.756 4.746 1.00 0.00 N ATOM 0 H LYS A 10 -3.517 -2.559 7.156 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.114 -4.960 6.571 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.295 -3.402 5.545 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.178 -3.670 4.222 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.594 -5.916 4.134 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.749 -6.072 5.872 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.007 -5.572 5.868 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.884 -4.500 4.487 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.837 -6.210 3.336 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.220 -6.885 3.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.833 -8.497 4.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.740 -8.125 5.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.306 -7.470 5.356 1.00 0.00 H new ATOM 164 N VAL A 11 -1.085 -2.208 5.051 1.00 0.00 N ATOM 165 CA VAL A 11 0.040 -1.605 4.345 1.00 0.00 C ATOM 166 C VAL A 11 1.264 -1.495 5.244 1.00 0.00 C ATOM 167 O VAL A 11 2.395 -1.528 4.770 1.00 0.00 O ATOM 168 CB VAL A 11 -0.315 -0.208 3.803 1.00 0.00 C ATOM 169 CG1 VAL A 11 0.803 0.326 2.917 1.00 0.00 C ATOM 170 CG2 VAL A 11 -1.636 -0.246 3.048 1.00 0.00 C ATOM 0 H VAL A 11 -1.869 -1.575 5.210 1.00 0.00 H new ATOM 0 HA VAL A 11 0.270 -2.262 3.506 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.428 0.470 4.649 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.532 1.314 2.545 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.724 0.397 3.496 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.955 -0.350 2.075 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.869 0.750 2.673 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.557 -0.940 2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.429 -0.576 3.719 1.00 0.00 H new ATOM 180 N LYS A 12 1.025 -1.358 6.540 1.00 0.00 N ATOM 181 CA LYS A 12 2.107 -1.239 7.516 1.00 0.00 C ATOM 182 C LYS A 12 3.018 -2.461 7.463 1.00 0.00 C ATOM 183 O LYS A 12 4.235 -2.345 7.598 1.00 0.00 O ATOM 184 CB LYS A 12 1.537 -1.073 8.925 1.00 0.00 C ATOM 185 CG LYS A 12 2.457 -0.313 9.867 1.00 0.00 C ATOM 186 CD LYS A 12 3.470 -1.236 10.524 1.00 0.00 C ATOM 187 CE LYS A 12 2.809 -2.168 11.526 1.00 0.00 C ATOM 188 NZ LYS A 12 3.056 -1.741 12.931 1.00 0.00 N ATOM 0 H LYS A 12 0.089 -1.326 6.945 1.00 0.00 H new ATOM 0 HA LYS A 12 2.695 -0.356 7.266 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.582 -0.551 8.863 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.334 -2.058 9.345 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.980 0.468 9.315 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.863 0.183 10.635 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.977 -1.824 9.759 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.232 -0.641 11.027 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.735 -2.198 11.340 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.186 -3.181 11.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.588 -2.403 13.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.079 -1.736 13.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.673 -0.785 13.076 1.00 0.00 H new ATOM 202 N ALA A 13 2.421 -3.627 7.244 1.00 0.00 N ATOM 203 CA ALA A 13 3.185 -4.867 7.145 1.00 0.00 C ATOM 204 C ALA A 13 3.780 -4.989 5.749 1.00 0.00 C ATOM 205 O ALA A 13 4.794 -5.655 5.538 1.00 0.00 O ATOM 206 CB ALA A 13 2.299 -6.065 7.461 1.00 0.00 C ATOM 0 H ALA A 13 1.414 -3.741 7.132 1.00 0.00 H new ATOM 0 HA ALA A 13 3.996 -4.847 7.873 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.884 -6.981 7.383 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.907 -5.970 8.474 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.471 -6.102 6.753 1.00 0.00 H new ATOM 212 N LEU A 14 3.131 -4.317 4.808 1.00 0.00 N ATOM 213 CA LEU A 14 3.551 -4.297 3.418 1.00 0.00 C ATOM 214 C LEU A 14 4.909 -3.609 3.267 1.00 0.00 C ATOM 215 O LEU A 14 5.639 -3.854 2.308 1.00 0.00 O ATOM 216 CB LEU A 14 2.488 -3.562 2.599 1.00 0.00 C ATOM 217 CG LEU A 14 2.400 -3.951 1.124 1.00 0.00 C ATOM 218 CD1 LEU A 14 0.962 -3.843 0.643 1.00 0.00 C ATOM 219 CD2 LEU A 14 3.312 -3.073 0.282 1.00 0.00 C ATOM 0 H LEU A 14 2.292 -3.767 4.992 1.00 0.00 H new ATOM 0 HA LEU A 14 3.658 -5.320 3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.516 -3.736 3.060 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.683 -2.491 2.662 1.00 0.00 H new ATOM 0 HG LEU A 14 2.730 -4.984 1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.908 -4.122 -0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.331 -4.512 1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.614 -2.817 0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.234 -3.366 -0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.014 -2.030 0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.342 -3.192 0.617 1.00 0.00 H new ATOM 231 N GLU A 15 5.225 -2.733 4.218 1.00 0.00 N ATOM 232 CA GLU A 15 6.476 -1.984 4.202 1.00 0.00 C ATOM 233 C GLU A 15 7.653 -2.845 4.657 1.00 0.00 C ATOM 234 O GLU A 15 8.650 -2.972 3.947 1.00 0.00 O ATOM 235 CB GLU A 15 6.340 -0.748 5.098 1.00 0.00 C ATOM 236 CG GLU A 15 7.655 -0.039 5.386 1.00 0.00 C ATOM 237 CD GLU A 15 8.156 -0.295 6.794 1.00 0.00 C ATOM 238 OE1 GLU A 15 7.806 -1.346 7.369 1.00 0.00 O ATOM 239 OE2 GLU A 15 8.900 0.558 7.322 1.00 0.00 O ATOM 0 H GLU A 15 4.625 -2.524 5.016 1.00 0.00 H new ATOM 0 HA GLU A 15 6.678 -1.673 3.177 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.656 -0.043 4.625 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.886 -1.046 6.043 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.407 -0.370 4.670 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.526 1.033 5.239 1.00 0.00 H new ATOM 246 N GLU A 16 7.535 -3.425 5.847 1.00 0.00 N ATOM 247 CA GLU A 16 8.595 -4.265 6.401 1.00 0.00 C ATOM 248 C GLU A 16 9.114 -5.266 5.369 1.00 0.00 C ATOM 249 O GLU A 16 10.269 -5.688 5.429 1.00 0.00 O ATOM 250 CB GLU A 16 8.087 -5.008 7.637 1.00 0.00 C ATOM 251 CG GLU A 16 6.817 -5.806 7.386 1.00 0.00 C ATOM 252 CD GLU A 16 6.573 -6.861 8.448 1.00 0.00 C ATOM 253 OE1 GLU A 16 7.466 -7.707 8.660 1.00 0.00 O ATOM 254 OE2 GLU A 16 5.488 -6.840 9.066 1.00 0.00 O ATOM 0 H GLU A 16 6.716 -3.330 6.448 1.00 0.00 H new ATOM 0 HA GLU A 16 9.422 -3.613 6.684 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.866 -5.683 7.991 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.902 -4.288 8.434 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.966 -5.126 7.352 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.881 -6.286 6.410 1.00 0.00 H new ATOM 261 N LYS A 17 8.256 -5.642 4.427 1.00 0.00 N ATOM 262 CA LYS A 17 8.632 -6.593 3.386 1.00 0.00 C ATOM 263 C LYS A 17 9.510 -5.935 2.324 1.00 0.00 C ATOM 264 O LYS A 17 10.473 -6.534 1.844 1.00 0.00 O ATOM 265 CB LYS A 17 7.381 -7.184 2.733 1.00 0.00 C ATOM 266 CG LYS A 17 7.683 -8.198 1.642 1.00 0.00 C ATOM 267 CD LYS A 17 6.608 -9.270 1.564 1.00 0.00 C ATOM 268 CE LYS A 17 6.278 -9.627 0.123 1.00 0.00 C ATOM 269 NZ LYS A 17 5.006 -8.999 -0.327 1.00 0.00 N ATOM 0 H LYS A 17 7.296 -5.303 4.362 1.00 0.00 H new ATOM 0 HA LYS A 17 9.206 -7.392 3.855 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.772 -7.660 3.501 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.786 -6.375 2.310 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.760 -7.688 0.682 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.649 -8.664 1.834 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.944 -10.162 2.093 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.707 -8.920 2.068 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.092 -9.304 -0.526 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.203 -10.710 0.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.817 -9.267 -1.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.225 -9.326 0.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.086 -7.964 -0.258 1.00 0.00 H new ATOM 283 N VAL A 18 9.171 -4.702 1.957 1.00 0.00 N ATOM 284 CA VAL A 18 9.928 -3.970 0.946 1.00 0.00 C ATOM 285 C VAL A 18 11.217 -3.396 1.521 1.00 0.00 C ATOM 286 O VAL A 18 12.278 -3.493 0.906 1.00 0.00 O ATOM 287 CB VAL A 18 9.109 -2.817 0.345 1.00 0.00 C ATOM 288 CG1 VAL A 18 9.807 -2.252 -0.883 1.00 0.00 C ATOM 289 CG2 VAL A 18 7.698 -3.273 0.003 1.00 0.00 C ATOM 0 H VAL A 18 8.378 -4.190 2.344 1.00 0.00 H new ATOM 0 HA VAL A 18 10.165 -4.691 0.164 1.00 0.00 H new ATOM 0 HB VAL A 18 9.034 -2.026 1.092 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.213 -1.436 -1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.792 -1.878 -0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.917 -3.036 -1.632 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.139 -2.439 -0.421 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.744 -4.085 -0.723 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.199 -3.622 0.907 1.00 0.00 H new ATOM 299 N LYS A 19 11.117 -2.787 2.698 1.00 0.00 N ATOM 300 CA LYS A 19 12.276 -2.184 3.350 1.00 0.00 C ATOM 301 C LYS A 19 13.461 -3.148 3.389 1.00 0.00 C ATOM 302 O LYS A 19 14.617 -2.725 3.372 1.00 0.00 O ATOM 303 CB LYS A 19 11.921 -1.749 4.772 1.00 0.00 C ATOM 304 CG LYS A 19 10.972 -0.564 4.826 1.00 0.00 C ATOM 305 CD LYS A 19 11.649 0.673 5.395 1.00 0.00 C ATOM 306 CE LYS A 19 12.168 1.584 4.293 1.00 0.00 C ATOM 307 NZ LYS A 19 11.702 2.987 4.468 1.00 0.00 N ATOM 0 H LYS A 19 10.246 -2.697 3.221 1.00 0.00 H new ATOM 0 HA LYS A 19 12.564 -1.311 2.765 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.469 -2.590 5.298 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.837 -1.495 5.305 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.602 -0.348 3.824 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.106 -0.819 5.437 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.942 1.221 6.018 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.476 0.372 6.039 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.258 1.561 4.286 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.836 1.209 3.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.077 3.576 3.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.662 3.012 4.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.041 3.354 5.380 1.00 0.00 H new ATOM 321 N ALA A 20 13.167 -4.443 3.443 1.00 0.00 N ATOM 322 CA ALA A 20 14.211 -5.463 3.486 1.00 0.00 C ATOM 323 C ALA A 20 14.619 -5.905 2.082 1.00 0.00 C ATOM 324 O ALA A 20 15.638 -6.570 1.903 1.00 0.00 O ATOM 325 CB ALA A 20 13.746 -6.659 4.302 1.00 0.00 C ATOM 0 H ALA A 20 12.216 -4.812 3.458 1.00 0.00 H new ATOM 0 HA ALA A 20 15.087 -5.025 3.965 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.534 -7.412 4.326 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.519 -6.339 5.319 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.852 -7.084 3.847 1.00 0.00 H new ATOM 331 N LEU A 21 13.817 -5.532 1.091 1.00 0.00 N ATOM 332 CA LEU A 21 14.087 -5.886 -0.294 1.00 0.00 C ATOM 333 C LEU A 21 15.313 -5.145 -0.818 1.00 0.00 C ATOM 334 O LEU A 21 16.360 -5.745 -1.057 1.00 0.00 O ATOM 335 CB LEU A 21 12.868 -5.561 -1.155 1.00 0.00 C ATOM 336 CG LEU A 21 12.465 -6.650 -2.148 1.00 0.00 C ATOM 337 CD1 LEU A 21 11.172 -6.275 -2.853 1.00 0.00 C ATOM 338 CD2 LEU A 21 13.577 -6.889 -3.158 1.00 0.00 C ATOM 0 H LEU A 21 12.969 -4.981 1.225 1.00 0.00 H new ATOM 0 HA LEU A 21 14.291 -6.955 -0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 21 12.022 -5.360 -0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 21 13.068 -4.643 -1.708 1.00 0.00 H new ATOM 0 HG LEU A 21 12.299 -7.576 -1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 21 10.900 -7.062 -3.557 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.377 -6.156 -2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.310 -5.338 -3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 21 13.272 -7.668 -3.857 1.00 0.00 H new ATOM 0 HD22 LEU A 21 13.776 -5.968 -3.705 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.481 -7.203 -2.636 1.00 0.00 H new ATOM 371 N GLY A 25 14.506 -2.112 -9.863 1.00 0.00 N ATOM 372 CA GLY A 25 13.812 -1.500 -10.980 1.00 0.00 C ATOM 373 C GLY A 25 12.316 -1.406 -10.753 1.00 0.00 C ATOM 374 O GLY A 25 11.798 -0.341 -10.415 1.00 0.00 O ATOM 0 HA2 GLY A 25 14.214 -0.501 -11.150 1.00 0.00 H new ATOM 0 HA3 GLY A 25 14.003 -2.079 -11.884 1.00 0.00 H new ATOM 378 N ARG A 26 11.619 -2.522 -10.941 1.00 0.00 N ATOM 379 CA ARG A 26 10.174 -2.562 -10.755 1.00 0.00 C ATOM 380 C ARG A 26 9.807 -2.281 -9.298 1.00 0.00 C ATOM 381 O ARG A 26 8.726 -1.771 -9.006 1.00 0.00 O ATOM 382 CB ARG A 26 9.624 -3.922 -11.224 1.00 0.00 C ATOM 383 CG ARG A 26 8.998 -4.781 -10.130 1.00 0.00 C ATOM 384 CD ARG A 26 7.550 -4.395 -9.873 1.00 0.00 C ATOM 385 NE ARG A 26 6.625 -5.139 -10.726 1.00 0.00 N ATOM 386 CZ ARG A 26 6.145 -4.688 -11.884 1.00 0.00 C ATOM 387 NH1 ARG A 26 6.493 -3.489 -12.339 1.00 0.00 N ATOM 388 NH2 ARG A 26 5.312 -5.439 -12.591 1.00 0.00 N ATOM 0 H ARG A 26 12.032 -3.411 -11.222 1.00 0.00 H new ATOM 0 HA ARG A 26 9.715 -1.781 -11.361 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.877 -3.746 -11.998 1.00 0.00 H new ATOM 0 HB3 ARG A 26 10.435 -4.484 -11.686 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.049 -5.831 -10.418 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.572 -4.674 -9.210 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.306 -4.579 -8.827 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.423 -3.326 -10.047 1.00 0.00 H new ATOM 0 HE ARG A 26 6.328 -6.064 -10.414 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.133 -2.905 -11.800 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.120 -3.152 -13.227 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.040 -6.360 -12.248 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.943 -5.096 -13.478 1.00 0.00 H new ATOM 402 N ILE A 27 10.718 -2.620 -8.390 1.00 0.00 N ATOM 403 CA ILE A 27 10.496 -2.407 -6.965 1.00 0.00 C ATOM 404 C ILE A 27 10.468 -0.919 -6.626 1.00 0.00 C ATOM 405 O ILE A 27 9.799 -0.501 -5.682 1.00 0.00 O ATOM 406 CB ILE A 27 11.584 -3.093 -6.116 1.00 0.00 C ATOM 407 CG1 ILE A 27 11.736 -4.560 -6.525 1.00 0.00 C ATOM 408 CG2 ILE A 27 11.252 -2.984 -4.634 1.00 0.00 C ATOM 409 CD1 ILE A 27 13.120 -5.118 -6.274 1.00 0.00 C ATOM 0 H ILE A 27 11.618 -3.044 -8.617 1.00 0.00 H new ATOM 0 HA ILE A 27 9.528 -2.849 -6.729 1.00 0.00 H new ATOM 0 HB ILE A 27 12.532 -2.585 -6.294 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.007 -5.158 -5.978 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.500 -4.660 -7.584 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.031 -3.474 -4.050 1.00 0.00 H new ATOM 0 HG22 ILE A 27 11.193 -1.933 -4.351 1.00 0.00 H new ATOM 0 HG23 ILE A 27 10.294 -3.467 -4.439 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.154 -6.161 -6.588 1.00 0.00 H new ATOM 0 HD12 ILE A 27 13.852 -4.544 -6.842 1.00 0.00 H new ATOM 0 HD13 ILE A 27 13.352 -5.051 -5.211 1.00 0.00 H new ATOM 421 N GLU A 28 11.202 -0.123 -7.398 1.00 0.00 N ATOM 422 CA GLU A 28 11.262 1.318 -7.173 1.00 0.00 C ATOM 423 C GLU A 28 9.864 1.930 -7.154 1.00 0.00 C ATOM 424 O GLU A 28 9.497 2.630 -6.211 1.00 0.00 O ATOM 425 CB GLU A 28 12.109 1.987 -8.257 1.00 0.00 C ATOM 426 CG GLU A 28 12.989 3.111 -7.735 1.00 0.00 C ATOM 427 CD GLU A 28 13.072 4.280 -8.697 1.00 0.00 C ATOM 428 OE1 GLU A 28 12.029 4.922 -8.943 1.00 0.00 O ATOM 429 OE2 GLU A 28 14.180 4.554 -9.203 1.00 0.00 O ATOM 0 H GLU A 28 11.763 -0.451 -8.184 1.00 0.00 H new ATOM 0 HA GLU A 28 11.723 1.488 -6.200 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.739 1.234 -8.731 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.449 2.382 -9.029 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.599 3.459 -6.779 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.992 2.726 -7.549 1.00 0.00 H new ATOM 436 N GLU A 29 9.086 1.660 -8.199 1.00 0.00 N ATOM 437 CA GLU A 29 7.727 2.184 -8.300 1.00 0.00 C ATOM 438 C GLU A 29 6.886 1.753 -7.101 1.00 0.00 C ATOM 439 O GLU A 29 5.971 2.462 -6.683 1.00 0.00 O ATOM 440 CB GLU A 29 7.069 1.707 -9.598 1.00 0.00 C ATOM 441 CG GLU A 29 5.618 2.139 -9.745 1.00 0.00 C ATOM 442 CD GLU A 29 5.477 3.625 -10.015 1.00 0.00 C ATOM 443 OE1 GLU A 29 6.429 4.375 -9.714 1.00 0.00 O ATOM 444 OE2 GLU A 29 4.415 4.038 -10.525 1.00 0.00 O ATOM 0 H GLU A 29 9.374 1.081 -8.988 1.00 0.00 H new ATOM 0 HA GLU A 29 7.784 3.272 -8.308 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.639 2.088 -10.445 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.121 0.619 -9.642 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.157 1.580 -10.559 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.073 1.885 -8.836 1.00 0.00 H new ATOM 451 N LEU A 30 7.203 0.586 -6.555 1.00 0.00 N ATOM 452 CA LEU A 30 6.479 0.054 -5.406 1.00 0.00 C ATOM 453 C LEU A 30 6.799 0.839 -4.137 1.00 0.00 C ATOM 454 O LEU A 30 6.037 0.809 -3.175 1.00 0.00 O ATOM 455 CB LEU A 30 6.832 -1.418 -5.194 1.00 0.00 C ATOM 456 CG LEU A 30 6.105 -2.400 -6.115 1.00 0.00 C ATOM 457 CD1 LEU A 30 7.082 -3.406 -6.701 1.00 0.00 C ATOM 458 CD2 LEU A 30 4.990 -3.115 -5.363 1.00 0.00 C ATOM 0 H LEU A 30 7.958 -0.012 -6.890 1.00 0.00 H new ATOM 0 HA LEU A 30 5.413 0.149 -5.614 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.906 -1.541 -5.333 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.612 -1.683 -4.160 1.00 0.00 H new ATOM 0 HG LEU A 30 5.660 -1.835 -6.934 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.546 -4.096 -7.353 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.844 -2.880 -7.276 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.557 -3.964 -5.894 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.485 -3.809 -6.035 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.413 -3.666 -4.523 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.273 -2.382 -4.992 1.00 0.00 H new ATOM 470 N LYS A 31 7.939 1.522 -4.137 1.00 0.00 N ATOM 471 CA LYS A 31 8.372 2.297 -2.978 1.00 0.00 C ATOM 472 C LYS A 31 7.636 3.629 -2.874 1.00 0.00 C ATOM 473 O LYS A 31 6.980 3.905 -1.874 1.00 0.00 O ATOM 474 CB LYS A 31 9.878 2.544 -3.057 1.00 0.00 C ATOM 475 CG LYS A 31 10.455 3.196 -1.812 1.00 0.00 C ATOM 476 CD LYS A 31 11.689 2.457 -1.320 1.00 0.00 C ATOM 477 CE LYS A 31 12.529 3.325 -0.398 1.00 0.00 C ATOM 478 NZ LYS A 31 13.350 4.309 -1.157 1.00 0.00 N ATOM 0 H LYS A 31 8.582 1.555 -4.928 1.00 0.00 H new ATOM 0 HA LYS A 31 8.135 1.718 -2.085 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.385 1.594 -3.227 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.089 3.177 -3.919 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.712 4.233 -2.028 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.701 3.212 -1.025 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.386 1.552 -0.793 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.290 2.143 -2.173 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.876 3.855 0.296 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.183 2.691 0.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.908 4.882 -0.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.991 3.803 -1.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.725 4.931 -1.709 1.00 0.00 H new ATOM 492 N LYS A 32 7.762 4.458 -3.903 1.00 0.00 N ATOM 493 CA LYS A 32 7.119 5.771 -3.917 1.00 0.00 C ATOM 494 C LYS A 32 5.619 5.672 -3.637 1.00 0.00 C ATOM 495 O LYS A 32 5.073 6.442 -2.849 1.00 0.00 O ATOM 496 CB LYS A 32 7.348 6.456 -5.265 1.00 0.00 C ATOM 497 CG LYS A 32 7.243 7.971 -5.203 1.00 0.00 C ATOM 498 CD LYS A 32 5.849 8.448 -5.580 1.00 0.00 C ATOM 499 CE LYS A 32 5.857 9.902 -6.026 1.00 0.00 C ATOM 500 NZ LYS A 32 5.162 10.087 -7.329 1.00 0.00 N ATOM 0 H LYS A 32 8.304 4.246 -4.741 1.00 0.00 H new ATOM 0 HA LYS A 32 7.571 6.365 -3.122 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.335 6.184 -5.639 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.620 6.079 -5.983 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.486 8.313 -4.197 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.976 8.416 -5.877 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.454 7.823 -6.381 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.181 8.332 -4.727 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.374 10.517 -5.267 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.886 10.250 -6.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.190 11.091 -7.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.638 9.520 -8.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.172 9.779 -7.241 1.00 0.00 H new ATOM 514 N LYS A 33 4.961 4.726 -4.296 1.00 0.00 N ATOM 515 CA LYS A 33 3.524 4.527 -4.132 1.00 0.00 C ATOM 516 C LYS A 33 3.186 3.925 -2.768 1.00 0.00 C ATOM 517 O LYS A 33 2.070 4.073 -2.279 1.00 0.00 O ATOM 518 CB LYS A 33 2.984 3.629 -5.246 1.00 0.00 C ATOM 519 CG LYS A 33 1.513 3.857 -5.552 1.00 0.00 C ATOM 520 CD LYS A 33 0.616 3.069 -4.609 1.00 0.00 C ATOM 521 CE LYS A 33 -0.038 1.890 -5.313 1.00 0.00 C ATOM 522 NZ LYS A 33 -1.242 2.304 -6.085 1.00 0.00 N ATOM 0 H LYS A 33 5.401 4.081 -4.952 1.00 0.00 H new ATOM 0 HA LYS A 33 3.049 5.506 -4.192 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.566 3.799 -6.152 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.130 2.586 -4.964 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.284 4.920 -5.470 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.305 3.565 -6.581 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.203 2.709 -3.764 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.155 3.726 -4.205 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.682 1.424 -5.985 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.320 1.138 -4.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.073 1.786 -5.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.396 3.326 -5.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.099 2.090 -7.093 1.00 0.00 H new ATOM 536 N CYS A 34 4.145 3.219 -2.178 1.00 0.00 N ATOM 537 CA CYS A 34 3.940 2.566 -0.885 1.00 0.00 C ATOM 538 C CYS A 34 3.657 3.566 0.240 1.00 0.00 C ATOM 539 O CYS A 34 2.633 3.476 0.918 1.00 0.00 O ATOM 540 CB CYS A 34 5.180 1.748 -0.525 1.00 0.00 C ATOM 541 SG CYS A 34 4.839 0.000 -0.148 1.00 0.00 S ATOM 0 H CYS A 34 5.075 3.083 -2.574 1.00 0.00 H new ATOM 0 HA CYS A 34 3.066 1.923 -0.983 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.887 1.798 -1.353 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.666 2.206 0.337 1.00 0.00 H new ATOM 0 HG CYS A 34 5.952 -0.606 0.142 1.00 0.00 H new ATOM 546 N GLU A 35 4.584 4.495 0.453 1.00 0.00 N ATOM 547 CA GLU A 35 4.448 5.486 1.519 1.00 0.00 C ATOM 548 C GLU A 35 3.326 6.480 1.237 1.00 0.00 C ATOM 549 O GLU A 35 2.509 6.760 2.111 1.00 0.00 O ATOM 550 CB GLU A 35 5.769 6.230 1.728 1.00 0.00 C ATOM 551 CG GLU A 35 6.380 6.754 0.443 1.00 0.00 C ATOM 552 CD GLU A 35 6.734 8.226 0.519 1.00 0.00 C ATOM 553 OE1 GLU A 35 6.008 8.977 1.205 1.00 0.00 O ATOM 554 OE2 GLU A 35 7.736 8.630 -0.108 1.00 0.00 O ATOM 0 H GLU A 35 5.438 4.584 -0.098 1.00 0.00 H new ATOM 0 HA GLU A 35 4.189 4.947 2.430 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.602 7.065 2.408 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.480 5.561 2.213 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.278 6.180 0.213 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.681 6.595 -0.378 1.00 0.00 H new ATOM 561 N GLU A 36 3.288 7.011 0.022 1.00 0.00 N ATOM 562 CA GLU A 36 2.261 7.973 -0.359 1.00 0.00 C ATOM 563 C GLU A 36 0.865 7.403 -0.115 1.00 0.00 C ATOM 564 O GLU A 36 -0.090 8.141 0.122 1.00 0.00 O ATOM 565 CB GLU A 36 2.417 8.361 -1.831 1.00 0.00 C ATOM 566 CG GLU A 36 1.446 9.440 -2.285 1.00 0.00 C ATOM 567 CD GLU A 36 0.336 8.896 -3.162 1.00 0.00 C ATOM 568 OE1 GLU A 36 -0.093 7.745 -2.933 1.00 0.00 O ATOM 569 OE2 GLU A 36 -0.105 9.620 -4.079 1.00 0.00 O ATOM 0 H GLU A 36 3.956 6.792 -0.717 1.00 0.00 H new ATOM 0 HA GLU A 36 2.384 8.863 0.258 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.436 8.708 -2.000 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.275 7.474 -2.448 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.009 9.922 -1.410 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.993 10.208 -2.832 1.00 0.00 H new ATOM 576 N LEU A 37 0.764 6.082 -0.186 1.00 0.00 N ATOM 577 CA LEU A 37 -0.502 5.388 0.014 1.00 0.00 C ATOM 578 C LEU A 37 -0.917 5.397 1.483 1.00 0.00 C ATOM 579 O LEU A 37 -2.097 5.541 1.803 1.00 0.00 O ATOM 580 CB LEU A 37 -0.381 3.947 -0.493 1.00 0.00 C ATOM 581 CG LEU A 37 -1.544 3.017 -0.136 1.00 0.00 C ATOM 582 CD1 LEU A 37 -2.882 3.712 -0.355 1.00 0.00 C ATOM 583 CD2 LEU A 37 -1.464 1.733 -0.951 1.00 0.00 C ATOM 0 H LEU A 37 1.552 5.465 -0.383 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.274 5.911 -0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.279 3.971 -1.578 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.539 3.518 -0.095 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.467 2.762 0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.693 3.031 -0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.938 4.600 0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.974 4.002 -1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.297 1.082 -0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.514 1.973 -2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.524 1.224 -0.737 1.00 0.00 H new ATOM 595 N LYS A 38 0.057 5.233 2.372 1.00 0.00 N ATOM 596 CA LYS A 38 -0.211 5.213 3.807 1.00 0.00 C ATOM 597 C LYS A 38 -0.871 6.510 4.270 1.00 0.00 C ATOM 598 O LYS A 38 -1.918 6.488 4.917 1.00 0.00 O ATOM 599 CB LYS A 38 1.087 4.978 4.583 1.00 0.00 C ATOM 600 CG LYS A 38 1.172 3.599 5.222 1.00 0.00 C ATOM 601 CD LYS A 38 1.670 3.677 6.657 1.00 0.00 C ATOM 602 CE LYS A 38 3.151 3.346 6.750 1.00 0.00 C ATOM 603 NZ LYS A 38 3.408 1.890 6.577 1.00 0.00 N ATOM 0 H LYS A 38 1.039 5.112 2.125 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.903 4.394 4.006 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.933 5.110 3.908 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.178 5.736 5.361 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.190 3.127 5.202 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.841 2.967 4.638 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.494 4.678 7.051 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.102 2.986 7.279 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.696 3.904 5.988 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.535 3.670 7.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.630 1.465 7.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.563 1.433 6.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.211 1.754 5.931 1.00 0.00 H new ATOM 617 N LYS A 39 -0.248 7.637 3.944 1.00 0.00 N ATOM 618 CA LYS A 39 -0.768 8.943 4.335 1.00 0.00 C ATOM 619 C LYS A 39 -2.158 9.187 3.750 1.00 0.00 C ATOM 620 O LYS A 39 -2.957 9.931 4.320 1.00 0.00 O ATOM 621 CB LYS A 39 0.193 10.049 3.888 1.00 0.00 C ATOM 622 CG LYS A 39 0.137 10.348 2.397 1.00 0.00 C ATOM 623 CD LYS A 39 1.509 10.699 1.847 1.00 0.00 C ATOM 624 CE LYS A 39 1.884 12.138 2.158 1.00 0.00 C ATOM 625 NZ LYS A 39 2.791 12.235 3.335 1.00 0.00 N ATOM 0 H LYS A 39 0.620 7.673 3.409 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.853 8.958 5.422 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.035 10.961 4.440 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.211 9.762 4.153 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.258 9.482 1.866 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.551 11.174 2.216 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.255 10.028 2.273 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.520 10.545 0.768 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.369 12.582 1.289 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.979 12.716 2.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.023 13.233 3.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.319 11.834 4.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.665 11.705 3.144 1.00 0.00 H new ATOM 639 N LYS A 40 -2.439 8.566 2.609 1.00 0.00 N ATOM 640 CA LYS A 40 -3.730 8.728 1.950 1.00 0.00 C ATOM 641 C LYS A 40 -4.854 8.110 2.775 1.00 0.00 C ATOM 642 O LYS A 40 -6.004 8.537 2.688 1.00 0.00 O ATOM 643 CB LYS A 40 -3.699 8.100 0.556 1.00 0.00 C ATOM 644 CG LYS A 40 -4.775 8.634 -0.376 1.00 0.00 C ATOM 645 CD LYS A 40 -4.255 9.780 -1.228 1.00 0.00 C ATOM 646 CE LYS A 40 -5.077 9.948 -2.496 1.00 0.00 C ATOM 647 NZ LYS A 40 -5.240 8.661 -3.227 1.00 0.00 N ATOM 0 H LYS A 40 -1.791 7.947 2.122 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.924 9.796 1.856 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.721 8.278 0.108 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.815 7.020 0.650 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.130 7.831 -1.022 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.630 8.973 0.210 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.281 10.705 -0.651 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.213 9.597 -1.490 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.059 10.348 -2.242 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.595 10.677 -3.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.190 8.835 -4.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.482 8.006 -2.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.163 8.242 -2.992 1.00 0.00 H new ATOM 661 N ILE A 41 -4.521 7.104 3.576 1.00 0.00 N ATOM 662 CA ILE A 41 -5.512 6.440 4.414 1.00 0.00 C ATOM 663 C ILE A 41 -5.853 7.298 5.626 1.00 0.00 C ATOM 664 O ILE A 41 -6.991 7.304 6.096 1.00 0.00 O ATOM 665 CB ILE A 41 -5.022 5.060 4.891 1.00 0.00 C ATOM 666 CG1 ILE A 41 -4.380 4.294 3.729 1.00 0.00 C ATOM 667 CG2 ILE A 41 -6.177 4.267 5.487 1.00 0.00 C ATOM 668 CD1 ILE A 41 -4.030 2.859 4.060 1.00 0.00 C ATOM 0 H ILE A 41 -3.575 6.731 3.663 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.404 6.299 3.803 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.269 5.203 5.666 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.062 4.305 2.879 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.475 4.816 3.418 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.817 3.294 5.820 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.592 4.810 6.336 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.951 4.128 4.732 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.580 2.384 3.188 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.323 2.839 4.889 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.934 2.319 4.341 1.00 0.00 H new ATOM 680 N GLU A 42 -4.861 8.032 6.121 1.00 0.00 N ATOM 681 CA GLU A 42 -5.060 8.905 7.271 1.00 0.00 C ATOM 682 C GLU A 42 -6.007 10.044 6.910 1.00 0.00 C ATOM 683 O GLU A 42 -6.759 10.533 7.752 1.00 0.00 O ATOM 684 CB GLU A 42 -3.721 9.466 7.753 1.00 0.00 C ATOM 685 CG GLU A 42 -3.088 8.655 8.871 1.00 0.00 C ATOM 686 CD GLU A 42 -1.628 9.000 9.088 1.00 0.00 C ATOM 687 OE1 GLU A 42 -1.218 10.115 8.701 1.00 0.00 O ATOM 688 OE2 GLU A 42 -0.893 8.157 9.644 1.00 0.00 O ATOM 0 H GLU A 42 -3.913 8.039 5.744 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.503 8.321 8.077 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.030 9.509 6.911 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.868 10.490 8.097 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.639 8.826 9.796 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.176 7.594 8.639 1.00 0.00 H new ATOM 695 N GLU A 43 -5.966 10.455 5.645 1.00 0.00 N ATOM 696 CA GLU A 43 -6.822 11.530 5.160 1.00 0.00 C ATOM 697 C GLU A 43 -8.243 11.021 4.939 1.00 0.00 C ATOM 698 O GLU A 43 -9.213 11.770 5.056 1.00 0.00 O ATOM 699 CB GLU A 43 -6.254 12.113 3.859 1.00 0.00 C ATOM 700 CG GLU A 43 -6.426 11.219 2.638 1.00 0.00 C ATOM 701 CD GLU A 43 -6.796 12.000 1.392 1.00 0.00 C ATOM 702 OE1 GLU A 43 -7.791 12.755 1.439 1.00 0.00 O ATOM 703 OE2 GLU A 43 -6.094 11.856 0.370 1.00 0.00 O ATOM 0 H GLU A 43 -5.348 10.058 4.938 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.852 12.318 5.912 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.737 13.070 3.663 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.192 12.315 3.999 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.500 10.673 2.459 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.199 10.478 2.841 1.00 0.00 H new ATOM 710 N LEU A 44 -8.350 9.738 4.616 1.00 0.00 N ATOM 711 CA LEU A 44 -9.638 9.104 4.371 1.00 0.00 C ATOM 712 C LEU A 44 -10.524 9.170 5.610 1.00 0.00 C ATOM 713 O LEU A 44 -10.097 9.631 6.668 1.00 0.00 O ATOM 714 CB LEU A 44 -9.428 7.646 3.953 1.00 0.00 C ATOM 715 CG LEU A 44 -9.065 7.440 2.482 1.00 0.00 C ATOM 716 CD1 LEU A 44 -8.814 5.967 2.197 1.00 0.00 C ATOM 717 CD2 LEU A 44 -10.165 7.983 1.581 1.00 0.00 C ATOM 0 H LEU A 44 -7.551 9.111 4.517 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.139 9.642 3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.638 7.217 4.570 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.339 7.087 4.168 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.148 7.990 2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.557 5.838 1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.992 5.611 2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.713 5.394 2.423 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.890 7.828 0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.099 7.461 1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.295 9.049 1.768 1.00 0.00 H new ATOM 757 N GLU A 49 -14.742 7.839 -0.791 1.00 0.00 N ATOM 758 CA GLU A 49 -13.484 7.705 -1.519 1.00 0.00 C ATOM 759 C GLU A 49 -12.637 6.568 -0.953 1.00 0.00 C ATOM 760 O GLU A 49 -11.754 6.045 -1.631 1.00 0.00 O ATOM 761 CB GLU A 49 -12.699 9.017 -1.465 1.00 0.00 C ATOM 762 CG GLU A 49 -11.440 9.007 -2.318 1.00 0.00 C ATOM 763 CD GLU A 49 -11.265 10.286 -3.113 1.00 0.00 C ATOM 764 OE1 GLU A 49 -11.595 11.366 -2.580 1.00 0.00 O ATOM 765 OE2 GLU A 49 -10.795 10.208 -4.268 1.00 0.00 O ATOM 0 HA GLU A 49 -13.720 7.470 -2.557 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.345 9.831 -1.794 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.426 9.225 -0.431 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.571 8.861 -1.676 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.476 8.160 -3.003 1.00 0.00 H new ATOM 772 N VAL A 50 -12.910 6.191 0.295 1.00 0.00 N ATOM 773 CA VAL A 50 -12.169 5.118 0.950 1.00 0.00 C ATOM 774 C VAL A 50 -12.169 3.845 0.106 1.00 0.00 C ATOM 775 O VAL A 50 -11.245 3.036 0.188 1.00 0.00 O ATOM 776 CB VAL A 50 -12.754 4.797 2.339 1.00 0.00 C ATOM 777 CG1 VAL A 50 -11.880 3.788 3.068 1.00 0.00 C ATOM 778 CG2 VAL A 50 -12.909 6.069 3.160 1.00 0.00 C ATOM 0 H VAL A 50 -13.638 6.613 0.871 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.145 5.472 1.066 1.00 0.00 H new ATOM 0 HB VAL A 50 -13.741 4.356 2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -12.310 3.574 4.047 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.825 2.867 2.487 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.878 4.198 3.193 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -13.323 5.823 4.138 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -11.935 6.541 3.287 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -13.580 6.756 2.644 1.00 0.00 H new ATOM 788 N LYS A 51 -13.210 3.673 -0.702 1.00 0.00 N ATOM 789 CA LYS A 51 -13.328 2.499 -1.558 1.00 0.00 C ATOM 790 C LYS A 51 -12.271 2.515 -2.659 1.00 0.00 C ATOM 791 O LYS A 51 -11.845 1.465 -3.139 1.00 0.00 O ATOM 792 CB LYS A 51 -14.725 2.431 -2.178 1.00 0.00 C ATOM 793 CG LYS A 51 -15.042 1.088 -2.817 1.00 0.00 C ATOM 794 CD LYS A 51 -15.816 1.257 -4.116 1.00 0.00 C ATOM 795 CE LYS A 51 -17.317 1.307 -3.872 1.00 0.00 C ATOM 796 NZ LYS A 51 -17.884 2.649 -4.176 1.00 0.00 N ATOM 0 H LYS A 51 -13.984 4.332 -0.782 1.00 0.00 H new ATOM 0 HA LYS A 51 -13.168 1.615 -0.940 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -15.466 2.641 -1.407 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.818 3.213 -2.931 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.115 0.549 -3.012 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.623 0.482 -2.122 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.497 2.173 -4.614 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -15.584 0.431 -4.789 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -17.810 0.556 -4.489 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -17.525 1.052 -2.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -18.908 2.642 -3.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -17.432 3.362 -3.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -17.709 2.882 -5.174 1.00 0.00 H new ATOM 810 N LYS A 52 -11.852 3.713 -3.055 1.00 0.00 N ATOM 811 CA LYS A 52 -10.847 3.866 -4.101 1.00 0.00 C ATOM 812 C LYS A 52 -9.458 3.505 -3.580 1.00 0.00 C ATOM 813 O LYS A 52 -8.788 2.630 -4.128 1.00 0.00 O ATOM 814 CB LYS A 52 -10.856 5.302 -4.633 1.00 0.00 C ATOM 815 CG LYS A 52 -9.700 5.619 -5.570 1.00 0.00 C ATOM 816 CD LYS A 52 -9.748 4.763 -6.824 1.00 0.00 C ATOM 817 CE LYS A 52 -10.475 5.472 -7.955 1.00 0.00 C ATOM 818 NZ LYS A 52 -11.898 5.748 -7.615 1.00 0.00 N ATOM 0 H LYS A 52 -12.193 4.592 -2.667 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.093 3.184 -4.915 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.795 5.479 -5.157 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.827 5.992 -3.790 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.733 6.673 -5.846 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.755 5.455 -5.052 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.733 4.519 -7.139 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.248 3.820 -6.603 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.967 6.410 -8.181 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.429 4.860 -8.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.449 5.860 -8.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -12.283 4.955 -7.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.958 6.622 -7.054 1.00 0.00 H new ATOM 832 N VAL A 53 -9.029 4.186 -2.521 1.00 0.00 N ATOM 833 CA VAL A 53 -7.718 3.939 -1.929 1.00 0.00 C ATOM 834 C VAL A 53 -7.517 2.460 -1.614 1.00 0.00 C ATOM 835 O VAL A 53 -6.391 1.966 -1.606 1.00 0.00 O ATOM 836 CB VAL A 53 -7.519 4.760 -0.641 1.00 0.00 C ATOM 837 CG1 VAL A 53 -6.084 4.645 -0.150 1.00 0.00 C ATOM 838 CG2 VAL A 53 -7.897 6.214 -0.871 1.00 0.00 C ATOM 0 H VAL A 53 -9.571 4.914 -2.055 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.979 4.249 -2.668 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.175 4.356 0.130 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.963 5.232 0.761 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.853 3.600 0.058 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.406 5.021 -0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.750 6.778 0.050 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.269 6.633 -1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.943 6.275 -1.171 1.00 0.00 H new ATOM 848 N GLU A 54 -8.616 1.757 -1.357 1.00 0.00 N ATOM 849 CA GLU A 54 -8.553 0.333 -1.048 1.00 0.00 C ATOM 850 C GLU A 54 -8.006 -0.452 -2.235 1.00 0.00 C ATOM 851 O GLU A 54 -7.352 -1.480 -2.067 1.00 0.00 O ATOM 852 CB GLU A 54 -9.939 -0.192 -0.670 1.00 0.00 C ATOM 853 CG GLU A 54 -9.902 -1.467 0.157 1.00 0.00 C ATOM 854 CD GLU A 54 -11.269 -2.104 0.309 1.00 0.00 C ATOM 855 OE1 GLU A 54 -11.910 -2.388 -0.725 1.00 0.00 O ATOM 856 OE2 GLU A 54 -11.698 -2.319 1.462 1.00 0.00 O ATOM 0 H GLU A 54 -9.558 2.149 -1.357 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.880 0.198 -0.201 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.470 0.578 -0.111 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.509 -0.376 -1.580 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.223 -2.180 -0.311 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.498 -1.244 1.144 1.00 0.00 H new ATOM 863 N GLU A 55 -8.278 0.047 -3.437 1.00 0.00 N ATOM 864 CA GLU A 55 -7.815 -0.598 -4.660 1.00 0.00 C ATOM 865 C GLU A 55 -6.360 -0.238 -4.946 1.00 0.00 C ATOM 866 O GLU A 55 -5.634 -1.003 -5.579 1.00 0.00 O ATOM 867 CB GLU A 55 -8.698 -0.187 -5.840 1.00 0.00 C ATOM 868 CG GLU A 55 -8.271 -0.799 -7.165 1.00 0.00 C ATOM 869 CD GLU A 55 -8.640 -2.266 -7.276 1.00 0.00 C ATOM 870 OE1 GLU A 55 -8.439 -3.004 -6.288 1.00 0.00 O ATOM 871 OE2 GLU A 55 -9.128 -2.675 -8.350 1.00 0.00 O ATOM 0 H GLU A 55 -8.818 0.899 -3.590 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.882 -1.677 -4.523 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.727 -0.478 -5.631 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.686 0.899 -5.931 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.737 -0.248 -7.982 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.193 -0.690 -7.281 1.00 0.00 H new ATOM 878 N GLU A 56 -5.944 0.936 -4.480 1.00 0.00 N ATOM 879 CA GLU A 56 -4.578 1.407 -4.687 1.00 0.00 C ATOM 880 C GLU A 56 -3.577 0.558 -3.906 1.00 0.00 C ATOM 881 O GLU A 56 -2.422 0.418 -4.308 1.00 0.00 O ATOM 882 CB GLU A 56 -4.456 2.872 -4.266 1.00 0.00 C ATOM 883 CG GLU A 56 -4.990 3.848 -5.301 1.00 0.00 C ATOM 884 CD GLU A 56 -4.163 5.116 -5.388 1.00 0.00 C ATOM 885 OE1 GLU A 56 -3.116 5.096 -6.067 1.00 0.00 O ATOM 886 OE2 GLU A 56 -4.563 6.128 -4.775 1.00 0.00 O ATOM 0 H GLU A 56 -6.535 1.580 -3.955 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.349 1.316 -5.749 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.994 3.018 -3.329 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.408 3.099 -4.071 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.008 3.363 -6.277 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.020 4.106 -5.054 1.00 0.00 H new ATOM 893 N VAL A 57 -4.026 -0.006 -2.789 1.00 0.00 N ATOM 894 CA VAL A 57 -3.169 -0.839 -1.954 1.00 0.00 C ATOM 895 C VAL A 57 -3.072 -2.252 -2.512 1.00 0.00 C ATOM 896 O VAL A 57 -2.097 -2.961 -2.271 1.00 0.00 O ATOM 897 CB VAL A 57 -3.686 -0.911 -0.505 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.673 -1.607 0.390 1.00 0.00 C ATOM 899 CG2 VAL A 57 -4.007 0.481 0.023 1.00 0.00 C ATOM 0 H VAL A 57 -4.979 0.099 -2.441 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.182 -0.376 -1.956 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.606 -1.496 -0.499 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.056 -1.648 1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.501 -2.620 0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.735 -1.053 0.377 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.371 0.407 1.048 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.107 1.095 0.001 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.774 0.939 -0.602 1.00 0.00 H new ATOM 909 N LYS A 58 -4.098 -2.656 -3.251 1.00 0.00 N ATOM 910 CA LYS A 58 -4.144 -3.984 -3.846 1.00 0.00 C ATOM 911 C LYS A 58 -3.213 -4.085 -5.051 1.00 0.00 C ATOM 912 O LYS A 58 -2.719 -5.163 -5.374 1.00 0.00 O ATOM 913 CB LYS A 58 -5.577 -4.313 -4.264 1.00 0.00 C ATOM 914 CG LYS A 58 -6.282 -5.273 -3.320 1.00 0.00 C ATOM 915 CD LYS A 58 -7.431 -5.990 -4.011 1.00 0.00 C ATOM 916 CE LYS A 58 -8.642 -6.108 -3.099 1.00 0.00 C ATOM 917 NZ LYS A 58 -9.143 -4.774 -2.665 1.00 0.00 N ATOM 0 H LYS A 58 -4.914 -2.078 -3.453 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.807 -4.703 -3.100 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.151 -3.388 -4.323 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.564 -4.745 -5.265 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.568 -6.006 -2.944 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.660 -4.725 -2.457 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.707 -5.449 -4.916 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.108 -6.984 -4.320 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.437 -6.643 -3.619 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.380 -6.700 -2.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.174 -4.815 -2.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.693 -4.510 -1.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.912 -4.064 -3.389 1.00 0.00 H new ATOM 931 N LYS A 59 -2.989 -2.959 -5.721 1.00 0.00 N ATOM 932 CA LYS A 59 -2.130 -2.928 -6.900 1.00 0.00 C ATOM 933 C LYS A 59 -0.653 -3.012 -6.523 1.00 0.00 C ATOM 934 O LYS A 59 0.137 -3.640 -7.227 1.00 0.00 O ATOM 935 CB LYS A 59 -2.386 -1.654 -7.710 1.00 0.00 C ATOM 936 CG LYS A 59 -1.513 -1.533 -8.951 1.00 0.00 C ATOM 937 CD LYS A 59 -0.470 -0.436 -8.798 1.00 0.00 C ATOM 938 CE LYS A 59 -0.920 0.857 -9.458 1.00 0.00 C ATOM 939 NZ LYS A 59 -0.841 0.779 -10.943 1.00 0.00 N ATOM 0 H LYS A 59 -3.390 -2.056 -5.468 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.374 -3.800 -7.507 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.434 -1.629 -8.010 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.216 -0.787 -7.071 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.016 -2.484 -9.141 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.139 -1.322 -9.818 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.280 -0.258 -7.739 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.471 -0.763 -9.240 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.945 1.079 -9.160 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.300 1.680 -9.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.941 1.732 -11.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.078 0.380 -11.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.605 0.171 -11.300 1.00 0.00 H new ATOM 953 N LEU A 60 -0.280 -2.372 -5.419 1.00 0.00 N ATOM 954 CA LEU A 60 1.111 -2.381 -4.976 1.00 0.00 C ATOM 955 C LEU A 60 1.482 -3.714 -4.335 1.00 0.00 C ATOM 956 O LEU A 60 2.638 -4.125 -4.379 1.00 0.00 O ATOM 957 CB LEU A 60 1.381 -1.241 -3.992 1.00 0.00 C ATOM 958 CG LEU A 60 2.861 -1.020 -3.676 1.00 0.00 C ATOM 959 CD1 LEU A 60 3.208 0.458 -3.706 1.00 0.00 C ATOM 960 CD2 LEU A 60 3.218 -1.632 -2.330 1.00 0.00 C ATOM 0 H LEU A 60 -0.915 -1.845 -4.819 1.00 0.00 H new ATOM 0 HA LEU A 60 1.731 -2.238 -5.861 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.967 -0.319 -4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.850 -1.445 -3.063 1.00 0.00 H new ATOM 0 HG LEU A 60 3.451 -1.518 -4.446 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.266 0.588 -3.478 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.998 0.861 -4.697 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.609 0.987 -2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.275 -1.464 -2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.617 -1.168 -1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.018 -2.703 -2.353 1.00 0.00 H new ATOM 972 N GLU A 61 0.501 -4.385 -3.744 1.00 0.00 N ATOM 973 CA GLU A 61 0.740 -5.671 -3.100 1.00 0.00 C ATOM 974 C GLU A 61 1.118 -6.727 -4.132 1.00 0.00 C ATOM 975 O GLU A 61 2.173 -7.354 -4.038 1.00 0.00 O ATOM 976 CB GLU A 61 -0.502 -6.113 -2.326 1.00 0.00 C ATOM 977 CG GLU A 61 -0.185 -6.761 -0.989 1.00 0.00 C ATOM 978 CD GLU A 61 -1.345 -7.568 -0.441 1.00 0.00 C ATOM 979 OE1 GLU A 61 -2.506 -7.216 -0.739 1.00 0.00 O ATOM 980 OE2 GLU A 61 -1.093 -8.551 0.286 1.00 0.00 O ATOM 0 H GLU A 61 -0.465 -4.061 -3.697 1.00 0.00 H new ATOM 0 HA GLU A 61 1.570 -5.557 -2.402 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.143 -5.247 -2.158 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.069 -6.816 -2.936 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.683 -7.410 -1.101 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.086 -5.988 -0.270 1.00 0.00 H new ATOM 987 N GLU A 62 0.251 -6.910 -5.121 1.00 0.00 N ATOM 988 CA GLU A 62 0.490 -7.881 -6.180 1.00 0.00 C ATOM 989 C GLU A 62 1.745 -7.523 -6.972 1.00 0.00 C ATOM 990 O GLU A 62 2.397 -8.392 -7.551 1.00 0.00 O ATOM 991 CB GLU A 62 -0.719 -7.947 -7.116 1.00 0.00 C ATOM 992 CG GLU A 62 -1.026 -9.349 -7.615 1.00 0.00 C ATOM 993 CD GLU A 62 -2.097 -9.363 -8.689 1.00 0.00 C ATOM 994 OE1 GLU A 62 -3.290 -9.462 -8.335 1.00 0.00 O ATOM 995 OE2 GLU A 62 -1.741 -9.277 -9.883 1.00 0.00 O ATOM 0 H GLU A 62 -0.626 -6.397 -5.211 1.00 0.00 H new ATOM 0 HA GLU A 62 0.640 -8.858 -5.721 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.593 -7.556 -6.595 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.541 -7.296 -7.972 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.115 -9.798 -8.010 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.349 -9.967 -6.777 1.00 0.00 H new ATOM 1002 N GLU A 63 2.074 -6.236 -6.994 1.00 0.00 N ATOM 1003 CA GLU A 63 3.246 -5.755 -7.715 1.00 0.00 C ATOM 1004 C GLU A 63 4.528 -6.366 -7.148 1.00 0.00 C ATOM 1005 O GLU A 63 5.413 -6.779 -7.898 1.00 0.00 O ATOM 1006 CB GLU A 63 3.310 -4.225 -7.651 1.00 0.00 C ATOM 1007 CG GLU A 63 2.776 -3.544 -8.901 1.00 0.00 C ATOM 1008 CD GLU A 63 3.871 -2.889 -9.720 1.00 0.00 C ATOM 1009 OE1 GLU A 63 4.727 -2.201 -9.125 1.00 0.00 O ATOM 1010 OE2 GLU A 63 3.873 -3.064 -10.957 1.00 0.00 O ATOM 0 H GLU A 63 1.544 -5.506 -6.519 1.00 0.00 H new ATOM 0 HA GLU A 63 3.159 -6.064 -8.757 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.740 -3.881 -6.788 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.344 -3.919 -7.493 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.256 -4.278 -9.517 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.042 -2.791 -8.615 1.00 0.00 H new ATOM 1017 N ILE A 64 4.623 -6.421 -5.822 1.00 0.00 N ATOM 1018 CA ILE A 64 5.794 -6.983 -5.159 1.00 0.00 C ATOM 1019 C ILE A 64 5.922 -8.479 -5.438 1.00 0.00 C ATOM 1020 O ILE A 64 7.015 -9.042 -5.365 1.00 0.00 O ATOM 1021 CB ILE A 64 5.738 -6.767 -3.633 1.00 0.00 C ATOM 1022 CG1 ILE A 64 5.407 -5.307 -3.312 1.00 0.00 C ATOM 1023 CG2 ILE A 64 7.059 -7.174 -2.995 1.00 0.00 C ATOM 1024 CD1 ILE A 64 5.425 -4.984 -1.831 1.00 0.00 C ATOM 0 H ILE A 64 3.901 -6.082 -5.186 1.00 0.00 H new ATOM 0 HA ILE A 64 6.662 -6.461 -5.563 1.00 0.00 H new ATOM 0 HB ILE A 64 4.948 -7.394 -3.219 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.122 -4.662 -3.823 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.421 -5.072 -3.713 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.006 -7.017 -1.918 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.252 -8.227 -3.199 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.865 -6.570 -3.411 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.181 -3.932 -1.685 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.690 -5.602 -1.315 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.417 -5.186 -1.427 1.00 0.00 H new ATOM 1036 N LYS A 65 4.801 -9.120 -5.751 1.00 0.00 N ATOM 1037 CA LYS A 65 4.794 -10.551 -6.035 1.00 0.00 C ATOM 1038 C LYS A 65 5.562 -10.855 -7.320 1.00 0.00 C ATOM 1039 O LYS A 65 6.159 -11.922 -7.458 1.00 0.00 O ATOM 1040 CB LYS A 65 3.358 -11.065 -6.146 1.00 0.00 C ATOM 1041 CG LYS A 65 2.879 -11.805 -4.906 1.00 0.00 C ATOM 1042 CD LYS A 65 1.777 -11.041 -4.189 1.00 0.00 C ATOM 1043 CE LYS A 65 1.929 -11.129 -2.679 1.00 0.00 C ATOM 1044 NZ LYS A 65 1.018 -12.146 -2.086 1.00 0.00 N ATOM 0 H LYS A 65 3.887 -8.672 -5.814 1.00 0.00 H new ATOM 0 HA LYS A 65 5.289 -11.063 -5.210 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.693 -10.223 -6.336 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.284 -11.730 -7.007 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.513 -12.792 -5.189 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.717 -11.959 -4.227 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.798 -9.996 -4.497 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.806 -11.441 -4.482 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.961 -11.379 -2.432 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.722 -10.155 -2.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.153 -12.174 -1.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.032 -11.895 -2.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.232 -13.081 -2.489 1.00 0.00 H new ATOM 1058 N LYS A 66 5.540 -9.911 -8.254 1.00 0.00 N ATOM 1059 CA LYS A 66 6.234 -10.079 -9.526 1.00 0.00 C ATOM 1060 C LYS A 66 7.742 -10.164 -9.314 1.00 0.00 C ATOM 1061 O LYS A 66 8.369 -11.174 -9.635 1.00 0.00 O ATOM 1062 CB LYS A 66 5.905 -8.921 -10.469 1.00 0.00 C ATOM 1063 CG LYS A 66 4.530 -9.026 -11.108 1.00 0.00 C ATOM 1064 CD LYS A 66 4.608 -9.628 -12.502 1.00 0.00 C ATOM 1065 CE LYS A 66 4.238 -11.102 -12.496 1.00 0.00 C ATOM 1066 NZ LYS A 66 2.793 -11.311 -12.204 1.00 0.00 N ATOM 0 H LYS A 66 5.050 -9.022 -8.155 1.00 0.00 H new ATOM 0 HA LYS A 66 5.894 -11.012 -9.976 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.968 -7.984 -9.916 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.659 -8.878 -11.255 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.882 -9.639 -10.481 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.077 -8.036 -11.163 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.939 -9.087 -13.171 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.617 -9.507 -12.895 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.480 -11.541 -13.464 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.838 -11.624 -11.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.501 -12.248 -12.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.634 -11.254 -11.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.232 -10.577 -12.682 1.00 0.00 H new