USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=7 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+ -108:sc= -0.505 (180deg=-1.38!) 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+ -163:sc=-0.00225 (180deg=-0.116) 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+ -135:sc= -1.17 (180deg=-2.33) USER MOD Single : A 34 CYS SG : rot -170:sc= -2.15 USER MOD Single : A 38 LYS NZ :NH3+ 168:sc= -0.303 (180deg=-0.607) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0319) 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+ -159:sc= -0.0241 (180deg=-0.189) USER MOD ----------------------------------------------------------------- ATOM 93 N LEU A 7 -6.924 -1.602 7.353 1.00 0.00 N ATOM 94 CA LEU A 7 -6.296 -1.170 6.108 1.00 0.00 C ATOM 95 C LEU A 7 -4.926 -0.540 6.358 1.00 0.00 C ATOM 96 O LEU A 7 -3.994 -0.731 5.577 1.00 0.00 O ATOM 97 CB LEU A 7 -7.202 -0.168 5.389 1.00 0.00 C ATOM 98 CG LEU A 7 -7.331 -0.373 3.879 1.00 0.00 C ATOM 99 CD1 LEU A 7 -8.152 0.747 3.258 1.00 0.00 C ATOM 100 CD2 LEU A 7 -5.955 -0.450 3.233 1.00 0.00 C ATOM 0 HA LEU A 7 -6.152 -2.051 5.483 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.196 -0.218 5.833 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.822 0.837 5.572 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.847 -1.316 3.701 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.234 0.585 2.183 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.148 0.756 3.700 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.663 1.703 3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.065 -0.596 2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.413 0.477 3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.400 -1.286 3.658 1.00 0.00 H new ATOM 112 N GLU A 8 -4.813 0.220 7.443 1.00 0.00 N ATOM 113 CA GLU A 8 -3.561 0.888 7.782 1.00 0.00 C ATOM 114 C GLU A 8 -2.531 -0.096 8.329 1.00 0.00 C ATOM 115 O GLU A 8 -1.331 0.065 8.111 1.00 0.00 O ATOM 116 CB GLU A 8 -3.814 2.000 8.802 1.00 0.00 C ATOM 117 CG GLU A 8 -4.534 3.204 8.217 1.00 0.00 C ATOM 118 CD GLU A 8 -4.942 4.211 9.277 1.00 0.00 C ATOM 119 OE1 GLU A 8 -6.061 4.084 9.816 1.00 0.00 O ATOM 120 OE2 GLU A 8 -4.141 5.124 9.567 1.00 0.00 O ATOM 0 H GLU A 8 -5.573 0.389 8.102 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.159 1.322 6.867 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.403 1.599 9.627 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.861 2.324 9.219 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.886 3.691 7.488 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.421 2.867 7.680 1.00 0.00 H new ATOM 127 N GLU A 9 -3.003 -1.114 9.042 1.00 0.00 N ATOM 128 CA GLU A 9 -2.115 -2.120 9.617 1.00 0.00 C ATOM 129 C GLU A 9 -1.635 -3.107 8.553 1.00 0.00 C ATOM 130 O GLU A 9 -0.632 -3.795 8.740 1.00 0.00 O ATOM 131 CB GLU A 9 -2.822 -2.865 10.754 1.00 0.00 C ATOM 132 CG GLU A 9 -3.819 -3.914 10.283 1.00 0.00 C ATOM 133 CD GLU A 9 -3.341 -5.330 10.537 1.00 0.00 C ATOM 134 OE1 GLU A 9 -2.775 -5.579 11.622 1.00 0.00 O ATOM 135 OE2 GLU A 9 -3.534 -6.190 9.652 1.00 0.00 O ATOM 0 H GLU A 9 -3.993 -1.264 9.235 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.241 -1.608 10.019 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.071 -3.348 11.380 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.342 -2.141 11.381 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.771 -3.759 10.792 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.002 -3.782 9.217 1.00 0.00 H new ATOM 142 N LYS A 10 -2.362 -3.175 7.442 1.00 0.00 N ATOM 143 CA LYS A 10 -2.019 -4.081 6.351 1.00 0.00 C ATOM 144 C LYS A 10 -0.836 -3.551 5.547 1.00 0.00 C ATOM 145 O LYS A 10 0.065 -4.307 5.180 1.00 0.00 O ATOM 146 CB LYS A 10 -3.229 -4.280 5.435 1.00 0.00 C ATOM 147 CG LYS A 10 -3.863 -5.656 5.557 1.00 0.00 C ATOM 148 CD LYS A 10 -4.834 -5.925 4.417 1.00 0.00 C ATOM 149 CE LYS A 10 -6.279 -5.796 4.872 1.00 0.00 C ATOM 150 NZ LYS A 10 -6.746 -4.383 4.844 1.00 0.00 N ATOM 0 H LYS A 10 -3.195 -2.611 7.273 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.733 -5.040 6.783 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.978 -3.522 5.666 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.922 -4.121 4.401 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.084 -6.418 5.560 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.388 -5.733 6.509 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.644 -5.225 3.603 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.664 -6.927 4.022 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.917 -6.402 4.229 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.378 -6.191 5.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.840 -4.029 5.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.056 -3.800 4.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.669 -4.332 4.367 1.00 0.00 H new ATOM 164 N VAL A 11 -0.847 -2.253 5.271 1.00 0.00 N ATOM 165 CA VAL A 11 0.222 -1.620 4.505 1.00 0.00 C ATOM 166 C VAL A 11 1.488 -1.470 5.338 1.00 0.00 C ATOM 167 O VAL A 11 2.595 -1.479 4.806 1.00 0.00 O ATOM 168 CB VAL A 11 -0.201 -0.237 3.972 1.00 0.00 C ATOM 169 CG1 VAL A 11 0.871 0.344 3.060 1.00 0.00 C ATOM 170 CG2 VAL A 11 -1.535 -0.328 3.247 1.00 0.00 C ATOM 0 H VAL A 11 -1.586 -1.615 5.567 1.00 0.00 H new ATOM 0 HA VAL A 11 0.427 -2.275 3.658 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.319 0.434 4.823 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.550 1.320 2.696 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.802 0.453 3.616 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.030 -0.324 2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.817 0.658 2.878 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.447 -1.018 2.408 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.299 -0.690 3.935 1.00 0.00 H new ATOM 180 N LYS A 12 1.314 -1.330 6.643 1.00 0.00 N ATOM 181 CA LYS A 12 2.441 -1.180 7.556 1.00 0.00 C ATOM 182 C LYS A 12 3.326 -2.419 7.513 1.00 0.00 C ATOM 183 O LYS A 12 4.551 -2.325 7.595 1.00 0.00 O ATOM 184 CB LYS A 12 1.946 -0.939 8.983 1.00 0.00 C ATOM 185 CG LYS A 12 3.045 -0.528 9.948 1.00 0.00 C ATOM 186 CD LYS A 12 2.596 -0.663 11.395 1.00 0.00 C ATOM 187 CE LYS A 12 3.716 -1.183 12.283 1.00 0.00 C ATOM 188 NZ LYS A 12 3.864 -0.372 13.522 1.00 0.00 N ATOM 0 H LYS A 12 0.401 -1.317 7.097 1.00 0.00 H new ATOM 0 HA LYS A 12 3.027 -0.317 7.239 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.180 -0.164 8.967 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.471 -1.848 9.352 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.927 -1.146 9.781 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.336 0.504 9.751 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.259 0.306 11.764 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.743 -1.340 11.450 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.515 -2.221 12.550 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.654 -1.172 11.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.637 -0.759 14.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.081 0.613 13.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.978 -0.403 14.065 1.00 0.00 H new ATOM 202 N ALA A 13 2.696 -3.578 7.357 1.00 0.00 N ATOM 203 CA ALA A 13 3.424 -4.838 7.271 1.00 0.00 C ATOM 204 C ALA A 13 3.951 -5.026 5.855 1.00 0.00 C ATOM 205 O ALA A 13 4.937 -5.726 5.624 1.00 0.00 O ATOM 206 CB ALA A 13 2.529 -6.001 7.670 1.00 0.00 C ATOM 0 H ALA A 13 1.683 -3.671 7.288 1.00 0.00 H new ATOM 0 HA ALA A 13 4.266 -4.811 7.962 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.090 -6.933 7.599 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.186 -5.861 8.695 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.669 -6.044 7.002 1.00 0.00 H new ATOM 212 N LEU A 14 3.276 -4.373 4.917 1.00 0.00 N ATOM 213 CA LEU A 14 3.635 -4.419 3.511 1.00 0.00 C ATOM 214 C LEU A 14 4.992 -3.757 3.277 1.00 0.00 C ATOM 215 O LEU A 14 5.687 -4.062 2.308 1.00 0.00 O ATOM 216 CB LEU A 14 2.546 -3.714 2.701 1.00 0.00 C ATOM 217 CG LEU A 14 2.400 -4.174 1.250 1.00 0.00 C ATOM 218 CD1 LEU A 14 0.935 -4.177 0.843 1.00 0.00 C ATOM 219 CD2 LEU A 14 3.209 -3.286 0.318 1.00 0.00 C ATOM 0 H LEU A 14 2.460 -3.794 5.115 1.00 0.00 H new ATOM 0 HA LEU A 14 3.715 -5.458 3.191 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.591 -3.858 3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.751 -2.643 2.705 1.00 0.00 H new ATOM 0 HG LEU A 14 2.787 -5.190 1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.846 -4.506 -0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.379 -4.856 1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.528 -3.170 0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.090 -3.632 -0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.856 -2.258 0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.262 -3.330 0.596 1.00 0.00 H new ATOM 231 N GLU A 15 5.354 -2.842 4.173 1.00 0.00 N ATOM 232 CA GLU A 15 6.616 -2.119 4.082 1.00 0.00 C ATOM 233 C GLU A 15 7.792 -3.012 4.469 1.00 0.00 C ATOM 234 O GLU A 15 8.852 -2.962 3.845 1.00 0.00 O ATOM 235 CB GLU A 15 6.563 -0.881 4.985 1.00 0.00 C ATOM 236 CG GLU A 15 7.908 -0.201 5.187 1.00 0.00 C ATOM 237 CD GLU A 15 7.776 1.182 5.796 1.00 0.00 C ATOM 238 OE1 GLU A 15 6.704 1.802 5.633 1.00 0.00 O ATOM 239 OE2 GLU A 15 8.744 1.645 6.434 1.00 0.00 O ATOM 0 H GLU A 15 4.783 -2.583 4.978 1.00 0.00 H new ATOM 0 HA GLU A 15 6.765 -1.806 3.048 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.865 -0.162 4.556 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.165 -1.171 5.957 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.531 -0.820 5.832 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.420 -0.124 4.228 1.00 0.00 H new ATOM 246 N GLU A 16 7.600 -3.824 5.502 1.00 0.00 N ATOM 247 CA GLU A 16 8.648 -4.725 5.974 1.00 0.00 C ATOM 248 C GLU A 16 9.181 -5.595 4.838 1.00 0.00 C ATOM 249 O GLU A 16 10.338 -6.015 4.855 1.00 0.00 O ATOM 250 CB GLU A 16 8.115 -5.612 7.101 1.00 0.00 C ATOM 251 CG GLU A 16 7.593 -4.830 8.295 1.00 0.00 C ATOM 252 CD GLU A 16 8.705 -4.324 9.193 1.00 0.00 C ATOM 253 OE1 GLU A 16 9.393 -5.161 9.816 1.00 0.00 O ATOM 254 OE2 GLU A 16 8.889 -3.091 9.273 1.00 0.00 O ATOM 0 H GLU A 16 6.729 -3.878 6.030 1.00 0.00 H new ATOM 0 HA GLU A 16 9.469 -4.115 6.352 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.314 -6.240 6.710 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.910 -6.279 7.434 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.004 -3.984 7.941 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.923 -5.464 8.875 1.00 0.00 H new ATOM 261 N LYS A 17 8.329 -5.865 3.854 1.00 0.00 N ATOM 262 CA LYS A 17 8.716 -6.688 2.712 1.00 0.00 C ATOM 263 C LYS A 17 9.595 -5.907 1.739 1.00 0.00 C ATOM 264 O LYS A 17 10.596 -6.422 1.242 1.00 0.00 O ATOM 265 CB LYS A 17 7.473 -7.206 1.987 1.00 0.00 C ATOM 266 CG LYS A 17 7.761 -8.343 1.021 1.00 0.00 C ATOM 267 CD LYS A 17 7.375 -9.689 1.611 1.00 0.00 C ATOM 268 CE LYS A 17 8.370 -10.773 1.226 1.00 0.00 C ATOM 269 NZ LYS A 17 7.876 -12.132 1.579 1.00 0.00 N ATOM 0 H LYS A 17 7.367 -5.527 3.824 1.00 0.00 H new ATOM 0 HA LYS A 17 9.292 -7.533 3.090 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.746 -7.544 2.726 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.013 -6.383 1.440 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.212 -8.181 0.093 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.821 -8.347 0.768 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.324 -9.610 2.697 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.380 -9.967 1.264 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.563 -10.724 0.154 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.319 -10.590 1.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.583 -12.842 1.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.716 -12.187 2.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.983 -12.318 1.079 1.00 0.00 H new ATOM 283 N VAL A 18 9.209 -4.664 1.465 1.00 0.00 N ATOM 284 CA VAL A 18 9.959 -3.817 0.543 1.00 0.00 C ATOM 285 C VAL A 18 11.255 -3.322 1.173 1.00 0.00 C ATOM 286 O VAL A 18 12.328 -3.467 0.592 1.00 0.00 O ATOM 287 CB VAL A 18 9.135 -2.602 0.083 1.00 0.00 C ATOM 288 CG1 VAL A 18 9.688 -2.039 -1.216 1.00 0.00 C ATOM 289 CG2 VAL A 18 7.665 -2.970 -0.072 1.00 0.00 C ATOM 0 H VAL A 18 8.383 -4.222 1.868 1.00 0.00 H new ATOM 0 HA VAL A 18 10.190 -4.437 -0.323 1.00 0.00 H new ATOM 0 HB VAL A 18 9.212 -1.831 0.850 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.091 -1.181 -1.524 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.722 -1.727 -1.067 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.648 -2.805 -1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.103 -2.095 -0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.565 -3.762 -0.814 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.274 -3.317 0.885 1.00 0.00 H new ATOM 299 N LYS A 19 11.151 -2.727 2.358 1.00 0.00 N ATOM 300 CA LYS A 19 12.322 -2.205 3.056 1.00 0.00 C ATOM 301 C LYS A 19 13.448 -3.236 3.113 1.00 0.00 C ATOM 302 O LYS A 19 14.627 -2.882 3.108 1.00 0.00 O ATOM 303 CB LYS A 19 11.944 -1.774 4.473 1.00 0.00 C ATOM 304 CG LYS A 19 11.335 -0.385 4.540 1.00 0.00 C ATOM 305 CD LYS A 19 12.091 0.513 5.507 1.00 0.00 C ATOM 306 CE LYS A 19 11.981 1.976 5.112 1.00 0.00 C ATOM 307 NZ LYS A 19 12.801 2.291 3.909 1.00 0.00 N ATOM 0 H LYS A 19 10.270 -2.594 2.854 1.00 0.00 H new ATOM 0 HA LYS A 19 12.682 -1.341 2.497 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.237 -2.493 4.887 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.833 -1.803 5.103 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.341 0.063 3.547 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.293 -0.459 4.851 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.698 0.377 6.514 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.141 0.220 5.532 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.937 2.221 4.914 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.303 2.602 5.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.934 3.320 3.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 13.728 1.826 3.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.314 1.947 3.057 1.00 0.00 H new ATOM 321 N ALA A 20 13.078 -4.513 3.171 1.00 0.00 N ATOM 322 CA ALA A 20 14.060 -5.592 3.234 1.00 0.00 C ATOM 323 C ALA A 20 14.791 -5.762 1.903 1.00 0.00 C ATOM 324 O ALA A 20 15.800 -6.464 1.824 1.00 0.00 O ATOM 325 CB ALA A 20 13.383 -6.894 3.634 1.00 0.00 C ATOM 0 H ALA A 20 12.107 -4.825 3.176 1.00 0.00 H new ATOM 0 HA ALA A 20 14.801 -5.327 3.989 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.125 -7.691 3.678 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.918 -6.777 4.613 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.620 -7.148 2.898 1.00 0.00 H new ATOM 331 N LEU A 21 14.276 -5.120 0.859 1.00 0.00 N ATOM 332 CA LEU A 21 14.876 -5.202 -0.468 1.00 0.00 C ATOM 333 C LEU A 21 16.287 -4.617 -0.476 1.00 0.00 C ATOM 334 O LEU A 21 16.748 -4.068 0.525 1.00 0.00 O ATOM 335 CB LEU A 21 13.983 -4.484 -1.493 1.00 0.00 C ATOM 336 CG LEU A 21 14.220 -2.974 -1.687 1.00 0.00 C ATOM 337 CD1 LEU A 21 14.580 -2.278 -0.378 1.00 0.00 C ATOM 338 CD2 LEU A 21 15.299 -2.737 -2.733 1.00 0.00 C ATOM 0 H LEU A 21 13.442 -4.535 0.907 1.00 0.00 H new ATOM 0 HA LEU A 21 14.955 -6.254 -0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 21 14.112 -4.974 -2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.944 -4.629 -1.198 1.00 0.00 H new ATOM 0 HG LEU A 21 13.284 -2.539 -2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 21 14.738 -1.215 -0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 21 13.767 -2.405 0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 21 15.492 -2.716 0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 21 15.455 -1.666 -2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.229 -3.203 -2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.987 -3.172 -3.682 1.00 0.00 H new ATOM 371 N GLY A 25 14.421 -2.845 -9.891 1.00 0.00 N ATOM 372 CA GLY A 25 13.692 -1.831 -10.631 1.00 0.00 C ATOM 373 C GLY A 25 12.252 -1.703 -10.175 1.00 0.00 C ATOM 374 O GLY A 25 11.858 -0.676 -9.620 1.00 0.00 O ATOM 0 HA2 GLY A 25 14.193 -0.870 -10.515 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.713 -2.075 -11.693 1.00 0.00 H new ATOM 378 N ARG A 26 11.463 -2.747 -10.411 1.00 0.00 N ATOM 379 CA ARG A 26 10.053 -2.751 -10.025 1.00 0.00 C ATOM 380 C ARG A 26 9.876 -2.312 -8.574 1.00 0.00 C ATOM 381 O ARG A 26 8.832 -1.776 -8.202 1.00 0.00 O ATOM 382 CB ARG A 26 9.444 -4.145 -10.223 1.00 0.00 C ATOM 383 CG ARG A 26 9.912 -5.167 -9.199 1.00 0.00 C ATOM 384 CD ARG A 26 11.399 -5.442 -9.343 1.00 0.00 C ATOM 385 NE ARG A 26 11.766 -6.769 -8.852 1.00 0.00 N ATOM 386 CZ ARG A 26 12.955 -7.068 -8.334 1.00 0.00 C ATOM 387 NH1 ARG A 26 13.904 -6.144 -8.245 1.00 0.00 N ATOM 388 NH2 ARG A 26 13.198 -8.300 -7.908 1.00 0.00 N ATOM 0 H ARG A 26 11.776 -3.603 -10.869 1.00 0.00 H new ATOM 0 HA ARG A 26 9.533 -2.039 -10.667 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.358 -4.067 -10.176 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.695 -4.503 -11.222 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.702 -4.802 -8.194 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.353 -6.095 -9.324 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.683 -5.353 -10.392 1.00 0.00 H new ATOM 0 HD3 ARG A 26 11.961 -4.686 -8.795 1.00 0.00 H new ATOM 0 HE ARG A 26 11.068 -7.511 -8.910 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.725 -5.196 -8.575 1.00 0.00 H new ATOM 0 HH12 ARG A 26 14.812 -6.382 -7.847 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.475 -9.016 -7.978 1.00 0.00 H new ATOM 0 HH22 ARG A 26 14.108 -8.532 -7.511 1.00 0.00 H new ATOM 402 N ILE A 27 10.897 -2.550 -7.758 1.00 0.00 N ATOM 403 CA ILE A 27 10.847 -2.189 -6.348 1.00 0.00 C ATOM 404 C ILE A 27 10.766 -0.677 -6.162 1.00 0.00 C ATOM 405 O ILE A 27 10.192 -0.195 -5.186 1.00 0.00 O ATOM 406 CB ILE A 27 12.074 -2.724 -5.583 1.00 0.00 C ATOM 407 CG1 ILE A 27 12.229 -4.231 -5.807 1.00 0.00 C ATOM 408 CG2 ILE A 27 11.949 -2.417 -4.097 1.00 0.00 C ATOM 409 CD1 ILE A 27 13.556 -4.779 -5.330 1.00 0.00 C ATOM 0 H ILE A 27 11.769 -2.991 -8.050 1.00 0.00 H new ATOM 0 HA ILE A 27 9.946 -2.649 -5.942 1.00 0.00 H new ATOM 0 HB ILE A 27 12.964 -2.225 -5.965 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.423 -4.752 -5.290 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.117 -4.446 -6.870 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.823 -2.801 -3.571 1.00 0.00 H new ATOM 0 HG22 ILE A 27 11.884 -1.339 -3.953 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.051 -2.891 -3.702 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.596 -5.852 -5.520 1.00 0.00 H new ATOM 0 HD12 ILE A 27 14.367 -4.285 -5.865 1.00 0.00 H new ATOM 0 HD13 ILE A 27 13.662 -4.596 -4.261 1.00 0.00 H new ATOM 421 N GLU A 28 11.344 0.067 -7.099 1.00 0.00 N ATOM 422 CA GLU A 28 11.335 1.524 -7.030 1.00 0.00 C ATOM 423 C GLU A 28 9.911 2.065 -7.083 1.00 0.00 C ATOM 424 O GLU A 28 9.481 2.794 -6.189 1.00 0.00 O ATOM 425 CB GLU A 28 12.159 2.117 -8.175 1.00 0.00 C ATOM 426 CG GLU A 28 13.578 1.578 -8.247 1.00 0.00 C ATOM 427 CD GLU A 28 14.321 2.054 -9.480 1.00 0.00 C ATOM 428 OE1 GLU A 28 13.653 2.416 -10.472 1.00 0.00 O ATOM 429 OE2 GLU A 28 15.570 2.065 -9.453 1.00 0.00 O ATOM 0 H GLU A 28 11.824 -0.314 -7.914 1.00 0.00 H new ATOM 0 HA GLU A 28 11.781 1.817 -6.080 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.653 1.913 -9.119 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.196 3.200 -8.061 1.00 0.00 H new ATOM 0 HG2 GLU A 28 14.125 1.886 -7.356 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.549 0.488 -8.243 1.00 0.00 H new ATOM 436 N GLU A 29 9.180 1.701 -8.131 1.00 0.00 N ATOM 437 CA GLU A 29 7.800 2.149 -8.294 1.00 0.00 C ATOM 438 C GLU A 29 6.944 1.712 -7.109 1.00 0.00 C ATOM 439 O GLU A 29 5.943 2.350 -6.783 1.00 0.00 O ATOM 440 CB GLU A 29 7.213 1.599 -9.596 1.00 0.00 C ATOM 441 CG GLU A 29 5.761 1.988 -9.825 1.00 0.00 C ATOM 442 CD GLU A 29 5.568 3.490 -9.908 1.00 0.00 C ATOM 443 OE1 GLU A 29 5.749 4.051 -11.009 1.00 0.00 O ATOM 444 OE2 GLU A 29 5.235 4.105 -8.872 1.00 0.00 O ATOM 0 H GLU A 29 9.519 1.097 -8.880 1.00 0.00 H new ATOM 0 HA GLU A 29 7.799 3.238 -8.337 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.812 1.956 -10.434 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.292 0.512 -9.589 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.406 1.528 -10.747 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.150 1.591 -9.015 1.00 0.00 H new ATOM 451 N LEU A 30 7.345 0.618 -6.471 1.00 0.00 N ATOM 452 CA LEU A 30 6.619 0.086 -5.323 1.00 0.00 C ATOM 453 C LEU A 30 6.838 0.946 -4.082 1.00 0.00 C ATOM 454 O LEU A 30 6.030 0.925 -3.155 1.00 0.00 O ATOM 455 CB LEU A 30 7.071 -1.349 -5.037 1.00 0.00 C ATOM 456 CG LEU A 30 6.385 -2.428 -5.874 1.00 0.00 C ATOM 457 CD1 LEU A 30 7.327 -3.596 -6.120 1.00 0.00 C ATOM 458 CD2 LEU A 30 5.115 -2.906 -5.189 1.00 0.00 C ATOM 0 H LEU A 30 8.172 0.080 -6.730 1.00 0.00 H new ATOM 0 HA LEU A 30 5.556 0.096 -5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.147 -1.413 -5.202 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.897 -1.564 -3.983 1.00 0.00 H new ATOM 0 HG LEU A 30 6.117 -1.994 -6.837 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.819 -4.353 -6.718 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.210 -3.245 -6.653 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.627 -4.028 -5.166 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.640 -3.674 -5.799 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.363 -3.320 -4.212 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.431 -2.067 -5.064 1.00 0.00 H new ATOM 470 N LYS A 31 7.943 1.684 -4.062 1.00 0.00 N ATOM 471 CA LYS A 31 8.280 2.534 -2.924 1.00 0.00 C ATOM 472 C LYS A 31 7.482 3.837 -2.922 1.00 0.00 C ATOM 473 O LYS A 31 6.764 4.129 -1.972 1.00 0.00 O ATOM 474 CB LYS A 31 9.776 2.849 -2.944 1.00 0.00 C ATOM 475 CG LYS A 31 10.230 3.724 -1.790 1.00 0.00 C ATOM 476 CD LYS A 31 11.621 3.336 -1.315 1.00 0.00 C ATOM 477 CE LYS A 31 12.355 4.521 -0.708 1.00 0.00 C ATOM 478 NZ LYS A 31 12.383 4.454 0.779 1.00 0.00 N ATOM 0 H LYS A 31 8.622 1.711 -4.822 1.00 0.00 H new ATOM 0 HA LYS A 31 8.022 1.988 -2.017 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.336 1.914 -2.922 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.021 3.345 -3.883 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.228 4.769 -2.101 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.524 3.636 -0.964 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.545 2.538 -0.577 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.196 2.942 -2.153 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.376 4.550 -1.089 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.871 5.446 -1.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.892 5.280 1.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.409 4.452 1.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.867 3.583 1.078 1.00 0.00 H new ATOM 492 N LYS A 32 7.626 4.623 -3.982 1.00 0.00 N ATOM 493 CA LYS A 32 6.934 5.906 -4.092 1.00 0.00 C ATOM 494 C LYS A 32 5.432 5.772 -3.832 1.00 0.00 C ATOM 495 O LYS A 32 4.814 6.659 -3.245 1.00 0.00 O ATOM 496 CB LYS A 32 7.169 6.512 -5.478 1.00 0.00 C ATOM 497 CG LYS A 32 8.146 7.677 -5.474 1.00 0.00 C ATOM 498 CD LYS A 32 7.422 9.011 -5.546 1.00 0.00 C ATOM 499 CE LYS A 32 6.775 9.366 -4.218 1.00 0.00 C ATOM 500 NZ LYS A 32 7.679 10.179 -3.359 1.00 0.00 N ATOM 0 H LYS A 32 8.217 4.395 -4.781 1.00 0.00 H new ATOM 0 HA LYS A 32 7.345 6.565 -3.327 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.544 5.736 -6.146 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.216 6.849 -5.885 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.754 7.640 -4.570 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.827 7.585 -6.320 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.126 9.793 -5.830 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.660 8.971 -6.324 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.853 9.919 -4.400 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.500 8.452 -3.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.200 10.400 -2.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.548 9.642 -3.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.921 11.064 -3.849 1.00 0.00 H new ATOM 514 N LYS A 33 4.852 4.669 -4.286 1.00 0.00 N ATOM 515 CA LYS A 33 3.421 4.427 -4.118 1.00 0.00 C ATOM 516 C LYS A 33 3.093 3.867 -2.734 1.00 0.00 C ATOM 517 O LYS A 33 1.966 3.997 -2.259 1.00 0.00 O ATOM 518 CB LYS A 33 2.919 3.471 -5.203 1.00 0.00 C ATOM 519 CG LYS A 33 1.657 3.954 -5.901 1.00 0.00 C ATOM 520 CD LYS A 33 0.419 3.697 -5.056 1.00 0.00 C ATOM 521 CE LYS A 33 0.048 2.223 -5.046 1.00 0.00 C ATOM 522 NZ LYS A 33 -0.744 1.841 -6.247 1.00 0.00 N ATOM 0 H LYS A 33 5.350 3.925 -4.775 1.00 0.00 H new ATOM 0 HA LYS A 33 2.913 5.387 -4.213 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.705 3.332 -5.946 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.727 2.496 -4.756 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.741 5.020 -6.110 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.555 3.448 -6.861 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.597 4.035 -4.035 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.416 4.281 -5.444 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.955 1.621 -5.003 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.526 1.999 -4.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.549 1.249 -5.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.097 2.699 -6.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.141 1.308 -6.906 1.00 0.00 H new ATOM 536 N CYS A 34 4.066 3.216 -2.107 1.00 0.00 N ATOM 537 CA CYS A 34 3.865 2.608 -0.791 1.00 0.00 C ATOM 538 C CYS A 34 3.573 3.643 0.299 1.00 0.00 C ATOM 539 O CYS A 34 2.548 3.569 0.976 1.00 0.00 O ATOM 540 CB CYS A 34 5.109 1.804 -0.404 1.00 0.00 C ATOM 541 SG CYS A 34 4.776 0.058 -0.009 1.00 0.00 S ATOM 0 H CYS A 34 5.005 3.094 -2.487 1.00 0.00 H new ATOM 0 HA CYS A 34 2.993 1.958 -0.866 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.826 1.849 -1.223 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.580 2.277 0.458 1.00 0.00 H new ATOM 0 HG CYS A 34 5.842 -0.482 0.504 1.00 0.00 H new ATOM 546 N GLU A 35 4.489 4.588 0.481 1.00 0.00 N ATOM 547 CA GLU A 35 4.339 5.614 1.511 1.00 0.00 C ATOM 548 C GLU A 35 3.214 6.592 1.188 1.00 0.00 C ATOM 549 O GLU A 35 2.429 6.951 2.062 1.00 0.00 O ATOM 550 CB GLU A 35 5.652 6.374 1.704 1.00 0.00 C ATOM 551 CG GLU A 35 6.242 6.896 0.408 1.00 0.00 C ATOM 552 CD GLU A 35 6.490 8.392 0.436 1.00 0.00 C ATOM 553 OE1 GLU A 35 5.559 9.142 0.795 1.00 0.00 O ATOM 554 OE2 GLU A 35 7.617 8.814 0.100 1.00 0.00 O ATOM 0 H GLU A 35 5.344 4.666 -0.070 1.00 0.00 H new ATOM 0 HA GLU A 35 4.077 5.103 2.437 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.482 7.212 2.381 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.376 5.717 2.186 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.181 6.380 0.208 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.567 6.659 -0.415 1.00 0.00 H new ATOM 561 N GLU A 36 3.138 7.026 -0.064 1.00 0.00 N ATOM 562 CA GLU A 36 2.102 7.966 -0.482 1.00 0.00 C ATOM 563 C GLU A 36 0.711 7.396 -0.218 1.00 0.00 C ATOM 564 O GLU A 36 -0.249 8.137 -0.009 1.00 0.00 O ATOM 565 CB GLU A 36 2.255 8.302 -1.966 1.00 0.00 C ATOM 566 CG GLU A 36 1.712 9.672 -2.339 1.00 0.00 C ATOM 567 CD GLU A 36 1.174 9.721 -3.755 1.00 0.00 C ATOM 568 OE1 GLU A 36 0.050 9.225 -3.981 1.00 0.00 O ATOM 569 OE2 GLU A 36 1.876 10.256 -4.640 1.00 0.00 O ATOM 0 H GLU A 36 3.778 6.744 -0.806 1.00 0.00 H new ATOM 0 HA GLU A 36 2.218 8.878 0.103 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.310 8.253 -2.234 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.741 7.544 -2.557 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.919 9.946 -1.643 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.503 10.414 -2.229 1.00 0.00 H new ATOM 576 N LEU A 37 0.617 6.074 -0.241 1.00 0.00 N ATOM 577 CA LEU A 37 -0.645 5.381 -0.018 1.00 0.00 C ATOM 578 C LEU A 37 -1.111 5.520 1.432 1.00 0.00 C ATOM 579 O LEU A 37 -2.269 5.844 1.691 1.00 0.00 O ATOM 580 CB LEU A 37 -0.487 3.901 -0.393 1.00 0.00 C ATOM 581 CG LEU A 37 -1.582 2.959 0.116 1.00 0.00 C ATOM 582 CD1 LEU A 37 -2.965 3.530 -0.159 1.00 0.00 C ATOM 583 CD2 LEU A 37 -1.437 1.589 -0.527 1.00 0.00 C ATOM 0 H LEU A 37 1.408 5.454 -0.414 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.407 5.837 -0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.446 3.824 -1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.472 3.551 -0.012 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.468 2.856 1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.724 2.841 0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.069 4.491 0.345 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.095 3.668 -1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.221 0.929 -0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.523 1.684 -1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.462 1.171 -0.276 1.00 0.00 H new ATOM 595 N LYS A 38 -0.205 5.267 2.372 1.00 0.00 N ATOM 596 CA LYS A 38 -0.529 5.358 3.794 1.00 0.00 C ATOM 597 C LYS A 38 -1.117 6.723 4.149 1.00 0.00 C ATOM 598 O LYS A 38 -2.230 6.815 4.666 1.00 0.00 O ATOM 599 CB LYS A 38 0.721 5.090 4.637 1.00 0.00 C ATOM 600 CG LYS A 38 0.544 3.964 5.645 1.00 0.00 C ATOM 601 CD LYS A 38 1.673 2.947 5.560 1.00 0.00 C ATOM 602 CE LYS A 38 2.391 2.794 6.892 1.00 0.00 C ATOM 603 NZ LYS A 38 1.529 2.142 7.916 1.00 0.00 N ATOM 0 H LYS A 38 0.759 4.997 2.176 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.282 4.601 4.013 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.551 4.846 3.974 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.994 6.002 5.168 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.505 4.380 6.652 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.409 3.465 5.469 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.272 1.982 5.250 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.386 3.257 4.796 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.296 2.204 6.751 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.703 3.775 7.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.108 1.872 8.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.787 2.805 8.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.088 1.292 7.509 1.00 0.00 H new ATOM 617 N LYS A 39 -0.358 7.780 3.877 1.00 0.00 N ATOM 618 CA LYS A 39 -0.795 9.141 4.172 1.00 0.00 C ATOM 619 C LYS A 39 -2.165 9.431 3.562 1.00 0.00 C ATOM 620 O LYS A 39 -2.927 10.244 4.084 1.00 0.00 O ATOM 621 CB LYS A 39 0.232 10.149 3.650 1.00 0.00 C ATOM 622 CG LYS A 39 0.339 10.181 2.134 1.00 0.00 C ATOM 623 CD LYS A 39 1.461 11.098 1.673 1.00 0.00 C ATOM 624 CE LYS A 39 0.974 12.527 1.488 1.00 0.00 C ATOM 625 NZ LYS A 39 1.257 13.036 0.117 1.00 0.00 N ATOM 0 H LYS A 39 0.567 7.720 3.451 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.879 9.238 5.254 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.034 11.144 4.008 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.209 9.910 4.070 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.515 9.173 1.759 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.606 10.519 1.709 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.270 11.080 2.403 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.872 10.728 0.733 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.098 12.573 1.678 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.456 13.173 2.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.910 14.013 0.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.282 13.016 -0.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.776 12.435 -0.583 1.00 0.00 H new ATOM 639 N LYS A 40 -2.469 8.764 2.454 1.00 0.00 N ATOM 640 CA LYS A 40 -3.747 8.956 1.776 1.00 0.00 C ATOM 641 C LYS A 40 -4.896 8.375 2.594 1.00 0.00 C ATOM 642 O LYS A 40 -6.036 8.822 2.479 1.00 0.00 O ATOM 643 CB LYS A 40 -3.715 8.314 0.389 1.00 0.00 C ATOM 644 CG LYS A 40 -4.590 9.025 -0.631 1.00 0.00 C ATOM 645 CD LYS A 40 -4.591 8.298 -1.966 1.00 0.00 C ATOM 646 CE LYS A 40 -5.007 9.221 -3.100 1.00 0.00 C ATOM 647 NZ LYS A 40 -6.373 9.777 -2.892 1.00 0.00 N ATOM 0 H LYS A 40 -1.850 8.087 2.007 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.912 10.028 1.668 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.687 8.301 0.027 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.037 7.276 0.471 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.610 9.094 -0.252 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.232 10.045 -0.771 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.596 7.899 -2.166 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.272 7.448 -1.919 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.291 10.039 -3.183 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.977 8.674 -4.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.659 10.318 -3.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.045 8.998 -2.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.370 10.403 -2.062 1.00 0.00 H new ATOM 661 N ILE A 41 -4.592 7.380 3.420 1.00 0.00 N ATOM 662 CA ILE A 41 -5.608 6.750 4.255 1.00 0.00 C ATOM 663 C ILE A 41 -5.949 7.634 5.448 1.00 0.00 C ATOM 664 O ILE A 41 -7.086 7.652 5.918 1.00 0.00 O ATOM 665 CB ILE A 41 -5.151 5.369 4.766 1.00 0.00 C ATOM 666 CG1 ILE A 41 -4.472 4.582 3.641 1.00 0.00 C ATOM 667 CG2 ILE A 41 -6.336 4.596 5.327 1.00 0.00 C ATOM 668 CD1 ILE A 41 -4.104 3.164 4.026 1.00 0.00 C ATOM 0 H ILE A 41 -3.654 6.994 3.529 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.492 6.616 3.632 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.426 5.514 5.567 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.136 4.554 2.777 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.570 5.111 3.333 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.999 3.623 5.684 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.776 5.154 6.154 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.083 4.457 4.545 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.628 2.669 3.180 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.414 3.183 4.870 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.005 2.618 4.306 1.00 0.00 H new ATOM 680 N GLU A 42 -4.954 8.376 5.929 1.00 0.00 N ATOM 681 CA GLU A 42 -5.149 9.272 7.061 1.00 0.00 C ATOM 682 C GLU A 42 -6.041 10.442 6.666 1.00 0.00 C ATOM 683 O GLU A 42 -6.808 10.956 7.481 1.00 0.00 O ATOM 684 CB GLU A 42 -3.802 9.789 7.569 1.00 0.00 C ATOM 685 CG GLU A 42 -3.027 8.767 8.385 1.00 0.00 C ATOM 686 CD GLU A 42 -3.230 8.937 9.878 1.00 0.00 C ATOM 687 OE1 GLU A 42 -4.381 8.789 10.340 1.00 0.00 O ATOM 688 OE2 GLU A 42 -2.239 9.217 10.584 1.00 0.00 O ATOM 0 H GLU A 42 -4.006 8.373 5.551 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.636 8.714 7.861 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.196 10.097 6.717 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.969 10.677 8.179 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.336 7.764 8.092 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.965 8.853 8.154 1.00 0.00 H new ATOM 695 N GLU A 43 -5.940 10.854 5.406 1.00 0.00 N ATOM 696 CA GLU A 43 -6.740 11.959 4.895 1.00 0.00 C ATOM 697 C GLU A 43 -8.182 11.513 4.662 1.00 0.00 C ATOM 698 O GLU A 43 -9.117 12.307 4.769 1.00 0.00 O ATOM 699 CB GLU A 43 -6.133 12.502 3.595 1.00 0.00 C ATOM 700 CG GLU A 43 -6.350 11.610 2.379 1.00 0.00 C ATOM 701 CD GLU A 43 -7.006 12.345 1.226 1.00 0.00 C ATOM 702 OE1 GLU A 43 -7.775 13.294 1.488 1.00 0.00 O ATOM 703 OE2 GLU A 43 -6.751 11.972 0.062 1.00 0.00 O ATOM 0 H GLU A 43 -5.310 10.438 4.720 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.741 12.756 5.638 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.560 13.484 3.391 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.062 12.644 3.740 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.391 11.210 2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.970 10.760 2.663 1.00 0.00 H new ATOM 710 N LEU A 44 -8.345 10.235 4.344 1.00 0.00 N ATOM 711 CA LEU A 44 -9.660 9.659 4.090 1.00 0.00 C ATOM 712 C LEU A 44 -10.596 9.892 5.273 1.00 0.00 C ATOM 713 O LEU A 44 -10.151 10.170 6.386 1.00 0.00 O ATOM 714 CB LEU A 44 -9.529 8.161 3.806 1.00 0.00 C ATOM 715 CG LEU A 44 -9.586 7.774 2.328 1.00 0.00 C ATOM 716 CD1 LEU A 44 -9.208 6.312 2.143 1.00 0.00 C ATOM 717 CD2 LEU A 44 -10.971 8.044 1.760 1.00 0.00 C ATOM 0 H LEU A 44 -7.575 9.572 4.255 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.088 10.152 3.217 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.585 7.809 4.222 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.325 7.636 4.334 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.866 8.385 1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.254 6.055 1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.195 6.148 2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.903 5.683 2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.994 7.763 0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.709 7.459 2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.204 9.104 1.857 1.00 0.00 H new ATOM 757 N GLU A 49 -14.953 7.677 -0.668 1.00 0.00 N ATOM 758 CA GLU A 49 -13.633 7.662 -1.291 1.00 0.00 C ATOM 759 C GLU A 49 -12.827 6.442 -0.853 1.00 0.00 C ATOM 760 O GLU A 49 -11.832 6.087 -1.486 1.00 0.00 O ATOM 761 CB GLU A 49 -12.870 8.942 -0.944 1.00 0.00 C ATOM 762 CG GLU A 49 -11.584 9.118 -1.736 1.00 0.00 C ATOM 763 CD GLU A 49 -10.668 10.165 -1.134 1.00 0.00 C ATOM 764 OE1 GLU A 49 -10.939 11.370 -1.325 1.00 0.00 O ATOM 765 OE2 GLU A 49 -9.681 9.781 -0.474 1.00 0.00 O ATOM 0 HA GLU A 49 -13.774 7.607 -2.371 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.517 9.801 -1.123 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.634 8.937 0.120 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.058 8.165 -1.784 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.828 9.400 -2.760 1.00 0.00 H new ATOM 772 N VAL A 50 -13.257 5.803 0.233 1.00 0.00 N ATOM 773 CA VAL A 50 -12.570 4.624 0.751 1.00 0.00 C ATOM 774 C VAL A 50 -12.449 3.532 -0.310 1.00 0.00 C ATOM 775 O VAL A 50 -11.589 2.657 -0.214 1.00 0.00 O ATOM 776 CB VAL A 50 -13.296 4.049 1.981 1.00 0.00 C ATOM 777 CG1 VAL A 50 -12.473 2.939 2.618 1.00 0.00 C ATOM 778 CG2 VAL A 50 -13.592 5.147 2.990 1.00 0.00 C ATOM 0 H VAL A 50 -14.078 6.082 0.770 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.571 4.949 1.041 1.00 0.00 H new ATOM 0 HB VAL A 50 -14.244 3.624 1.652 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.003 2.545 3.486 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -12.318 2.139 1.894 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.508 3.336 2.932 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -14.105 4.720 3.852 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.657 5.605 3.314 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -14.226 5.904 2.528 1.00 0.00 H new ATOM 788 N LYS A 51 -13.315 3.586 -1.317 1.00 0.00 N ATOM 789 CA LYS A 51 -13.301 2.595 -2.389 1.00 0.00 C ATOM 790 C LYS A 51 -12.143 2.842 -3.354 1.00 0.00 C ATOM 791 O LYS A 51 -11.669 1.918 -4.015 1.00 0.00 O ATOM 792 CB LYS A 51 -14.628 2.621 -3.151 1.00 0.00 C ATOM 793 CG LYS A 51 -14.748 1.525 -4.198 1.00 0.00 C ATOM 794 CD LYS A 51 -15.428 2.032 -5.461 1.00 0.00 C ATOM 795 CE LYS A 51 -16.888 1.616 -5.512 1.00 0.00 C ATOM 796 NZ LYS A 51 -17.452 1.737 -6.885 1.00 0.00 N ATOM 0 H LYS A 51 -14.034 4.303 -1.414 1.00 0.00 H new ATOM 0 HA LYS A 51 -13.165 1.613 -1.936 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -15.448 2.524 -2.440 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.740 3.590 -3.637 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -13.756 1.146 -4.445 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.316 0.690 -3.788 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.357 3.119 -5.503 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -14.907 1.644 -6.337 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -16.984 0.586 -5.169 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -17.466 2.235 -4.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -18.450 1.444 -6.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -17.384 2.725 -7.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -16.917 1.127 -7.535 1.00 0.00 H new ATOM 810 N LYS A 52 -11.696 4.092 -3.436 1.00 0.00 N ATOM 811 CA LYS A 52 -10.598 4.453 -4.327 1.00 0.00 C ATOM 812 C LYS A 52 -9.251 4.048 -3.732 1.00 0.00 C ATOM 813 O LYS A 52 -8.491 3.301 -4.349 1.00 0.00 O ATOM 814 CB LYS A 52 -10.618 5.959 -4.603 1.00 0.00 C ATOM 815 CG LYS A 52 -9.394 6.465 -5.348 1.00 0.00 C ATOM 816 CD LYS A 52 -9.659 7.805 -6.019 1.00 0.00 C ATOM 817 CE LYS A 52 -8.565 8.812 -5.707 1.00 0.00 C ATOM 818 NZ LYS A 52 -8.851 10.146 -6.305 1.00 0.00 N ATOM 0 H LYS A 52 -12.076 4.870 -2.897 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.731 3.914 -5.265 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.509 6.200 -5.182 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.700 6.491 -3.655 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.560 6.564 -4.653 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.097 5.734 -6.100 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.729 7.665 -7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.620 8.196 -5.685 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.462 8.913 -4.627 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.612 8.442 -6.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.081 10.804 -6.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.924 10.055 -7.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.748 10.512 -5.925 1.00 0.00 H new ATOM 832 N VAL A 53 -8.960 4.548 -2.537 1.00 0.00 N ATOM 833 CA VAL A 53 -7.703 4.243 -1.861 1.00 0.00 C ATOM 834 C VAL A 53 -7.524 2.740 -1.672 1.00 0.00 C ATOM 835 O VAL A 53 -6.401 2.239 -1.648 1.00 0.00 O ATOM 836 CB VAL A 53 -7.623 4.934 -0.486 1.00 0.00 C ATOM 837 CG1 VAL A 53 -6.232 4.781 0.108 1.00 0.00 C ATOM 838 CG2 VAL A 53 -8.003 6.402 -0.604 1.00 0.00 C ATOM 0 H VAL A 53 -9.579 5.168 -2.014 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.904 4.621 -2.499 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.334 4.452 0.185 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.195 5.275 1.079 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -6.003 3.722 0.231 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.500 5.236 -0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.941 6.874 0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.319 6.901 -1.291 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -9.022 6.485 -0.983 1.00 0.00 H new ATOM 848 N GLU A 54 -8.636 2.025 -1.539 1.00 0.00 N ATOM 849 CA GLU A 54 -8.594 0.578 -1.356 1.00 0.00 C ATOM 850 C GLU A 54 -7.965 -0.099 -2.568 1.00 0.00 C ATOM 851 O GLU A 54 -7.210 -1.061 -2.433 1.00 0.00 O ATOM 852 CB GLU A 54 -10.004 0.030 -1.123 1.00 0.00 C ATOM 853 CG GLU A 54 -10.021 -1.368 -0.524 1.00 0.00 C ATOM 854 CD GLU A 54 -10.387 -2.433 -1.539 1.00 0.00 C ATOM 855 OE1 GLU A 54 -9.818 -2.413 -2.651 1.00 0.00 O ATOM 856 OE2 GLU A 54 -11.241 -3.286 -1.221 1.00 0.00 O ATOM 0 H GLU A 54 -9.575 2.422 -1.554 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.982 0.362 -0.480 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.543 0.707 -0.460 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.541 0.017 -2.071 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.040 -1.592 -0.106 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.733 -1.397 0.301 1.00 0.00 H new ATOM 863 N GLU A 55 -8.280 0.416 -3.751 1.00 0.00 N ATOM 864 CA GLU A 55 -7.747 -0.130 -4.993 1.00 0.00 C ATOM 865 C GLU A 55 -6.263 0.199 -5.139 1.00 0.00 C ATOM 866 O GLU A 55 -5.518 -0.529 -5.792 1.00 0.00 O ATOM 867 CB GLU A 55 -8.523 0.422 -6.190 1.00 0.00 C ATOM 868 CG GLU A 55 -8.062 -0.139 -7.525 1.00 0.00 C ATOM 869 CD GLU A 55 -8.845 0.423 -8.695 1.00 0.00 C ATOM 870 OE1 GLU A 55 -10.094 0.383 -8.648 1.00 0.00 O ATOM 871 OE2 GLU A 55 -8.212 0.903 -9.658 1.00 0.00 O ATOM 0 H GLU A 55 -8.904 1.213 -3.876 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.860 -1.214 -4.963 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.582 0.201 -6.059 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.424 1.507 -6.208 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.003 0.082 -7.662 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.162 -1.224 -7.513 1.00 0.00 H new ATOM 878 N GLU A 56 -5.846 1.307 -4.532 1.00 0.00 N ATOM 879 CA GLU A 56 -4.456 1.743 -4.597 1.00 0.00 C ATOM 880 C GLU A 56 -3.544 0.810 -3.803 1.00 0.00 C ATOM 881 O GLU A 56 -2.367 0.653 -4.129 1.00 0.00 O ATOM 882 CB GLU A 56 -4.332 3.172 -4.062 1.00 0.00 C ATOM 883 CG GLU A 56 -4.715 4.236 -5.077 1.00 0.00 C ATOM 884 CD GLU A 56 -3.829 5.463 -4.998 1.00 0.00 C ATOM 885 OE1 GLU A 56 -3.537 5.913 -3.870 1.00 0.00 O ATOM 886 OE2 GLU A 56 -3.427 5.975 -6.064 1.00 0.00 O ATOM 0 H GLU A 56 -6.454 1.920 -3.988 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.142 1.716 -5.640 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.965 3.278 -3.181 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.305 3.342 -3.739 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.656 3.814 -6.080 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.752 4.530 -4.916 1.00 0.00 H new ATOM 893 N VAL A 57 -4.093 0.195 -2.760 1.00 0.00 N ATOM 894 CA VAL A 57 -3.327 -0.721 -1.922 1.00 0.00 C ATOM 895 C VAL A 57 -3.278 -2.116 -2.533 1.00 0.00 C ATOM 896 O VAL A 57 -2.355 -2.886 -2.276 1.00 0.00 O ATOM 897 CB VAL A 57 -3.922 -0.818 -0.503 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.976 -1.567 0.423 1.00 0.00 C ATOM 899 CG2 VAL A 57 -4.233 0.568 0.047 1.00 0.00 C ATOM 0 H VAL A 57 -5.065 0.314 -2.475 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.316 -0.318 -1.859 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.856 -1.376 -0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.413 -1.625 1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.812 -2.574 0.039 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.024 -1.039 0.475 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.652 0.476 1.049 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.317 1.157 0.089 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.953 1.064 -0.603 1.00 0.00 H new ATOM 909 N LYS A 58 -4.284 -2.433 -3.339 1.00 0.00 N ATOM 910 CA LYS A 58 -4.370 -3.734 -3.989 1.00 0.00 C ATOM 911 C LYS A 58 -3.379 -3.842 -5.146 1.00 0.00 C ATOM 912 O LYS A 58 -2.934 -4.934 -5.491 1.00 0.00 O ATOM 913 CB LYS A 58 -5.793 -3.970 -4.496 1.00 0.00 C ATOM 914 CG LYS A 58 -6.596 -4.927 -3.632 1.00 0.00 C ATOM 915 CD LYS A 58 -7.975 -5.187 -4.220 1.00 0.00 C ATOM 916 CE LYS A 58 -8.011 -6.486 -5.008 1.00 0.00 C ATOM 917 NZ LYS A 58 -8.709 -6.326 -6.314 1.00 0.00 N ATOM 0 H LYS A 58 -5.055 -1.803 -3.559 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.115 -4.498 -3.254 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.315 -3.014 -4.546 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.747 -4.362 -5.512 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.057 -5.870 -3.534 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.699 -4.514 -2.629 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.712 -5.227 -3.418 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.256 -4.358 -4.870 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.993 -6.833 -5.181 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.514 -7.253 -4.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.711 -7.235 -6.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.689 -6.019 -6.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.215 -5.612 -6.887 1.00 0.00 H new ATOM 931 N LYS A 59 -3.054 -2.706 -5.756 1.00 0.00 N ATOM 932 CA LYS A 59 -2.131 -2.680 -6.886 1.00 0.00 C ATOM 933 C LYS A 59 -0.684 -2.868 -6.439 1.00 0.00 C ATOM 934 O LYS A 59 0.086 -3.570 -7.094 1.00 0.00 O ATOM 935 CB LYS A 59 -2.266 -1.362 -7.652 1.00 0.00 C ATOM 936 CG LYS A 59 -1.564 -1.369 -9.002 1.00 0.00 C ATOM 937 CD LYS A 59 -0.446 -0.340 -9.059 1.00 0.00 C ATOM 938 CE LYS A 59 -0.984 1.048 -9.372 1.00 0.00 C ATOM 939 NZ LYS A 59 0.078 1.950 -9.896 1.00 0.00 N ATOM 0 H LYS A 59 -3.416 -1.791 -5.487 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.394 -3.511 -7.540 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.324 -1.145 -7.803 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.859 -0.554 -7.044 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.156 -2.361 -9.195 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.288 -1.164 -9.790 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.082 -0.321 -8.105 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.279 -0.631 -9.819 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.787 0.969 -10.104 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.416 1.482 -8.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.329 2.886 -10.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.833 2.046 -9.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.473 1.549 -10.771 1.00 0.00 H new ATOM 953 N LEU A 60 -0.310 -2.232 -5.332 1.00 0.00 N ATOM 954 CA LEU A 60 1.056 -2.337 -4.829 1.00 0.00 C ATOM 955 C LEU A 60 1.320 -3.700 -4.199 1.00 0.00 C ATOM 956 O LEU A 60 2.455 -4.169 -4.180 1.00 0.00 O ATOM 957 CB LEU A 60 1.352 -1.234 -3.812 1.00 0.00 C ATOM 958 CG LEU A 60 2.841 -1.022 -3.533 1.00 0.00 C ATOM 959 CD1 LEU A 60 3.191 0.456 -3.545 1.00 0.00 C ATOM 960 CD2 LEU A 60 3.235 -1.662 -2.212 1.00 0.00 C ATOM 0 H LEU A 60 -0.927 -1.644 -4.771 1.00 0.00 H new ATOM 0 HA LEU A 60 1.720 -2.219 -5.685 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.925 -0.298 -4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.849 -1.474 -2.875 1.00 0.00 H new ATOM 0 HG LEU A 60 3.408 -1.506 -4.328 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.255 0.580 -3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.955 0.878 -4.522 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.615 0.973 -2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.298 -1.500 -2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.658 -1.213 -1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.033 -2.732 -2.252 1.00 0.00 H new ATOM 972 N GLU A 61 0.273 -4.329 -3.683 1.00 0.00 N ATOM 973 CA GLU A 61 0.404 -5.634 -3.054 1.00 0.00 C ATOM 974 C GLU A 61 0.764 -6.699 -4.086 1.00 0.00 C ATOM 975 O GLU A 61 1.770 -7.395 -3.951 1.00 0.00 O ATOM 976 CB GLU A 61 -0.900 -6.004 -2.350 1.00 0.00 C ATOM 977 CG GLU A 61 -0.699 -6.621 -0.978 1.00 0.00 C ATOM 978 CD GLU A 61 -1.626 -7.793 -0.722 1.00 0.00 C ATOM 979 OE1 GLU A 61 -2.672 -7.881 -1.398 1.00 0.00 O ATOM 980 OE2 GLU A 61 -1.306 -8.622 0.156 1.00 0.00 O ATOM 0 H GLU A 61 -0.676 -3.956 -3.688 1.00 0.00 H new ATOM 0 HA GLU A 61 1.207 -5.585 -2.319 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.515 -5.110 -2.250 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.454 -6.704 -2.976 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.335 -6.953 -0.881 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.862 -5.860 -0.215 1.00 0.00 H new ATOM 987 N GLU A 62 -0.066 -6.814 -5.117 1.00 0.00 N ATOM 988 CA GLU A 62 0.154 -7.787 -6.179 1.00 0.00 C ATOM 989 C GLU A 62 1.477 -7.531 -6.897 1.00 0.00 C ATOM 990 O GLU A 62 2.077 -8.449 -7.456 1.00 0.00 O ATOM 991 CB GLU A 62 -1.000 -7.737 -7.182 1.00 0.00 C ATOM 992 CG GLU A 62 -1.383 -9.098 -7.737 1.00 0.00 C ATOM 993 CD GLU A 62 -2.468 -9.012 -8.793 1.00 0.00 C ATOM 994 OE1 GLU A 62 -3.661 -9.058 -8.425 1.00 0.00 O ATOM 995 OE2 GLU A 62 -2.125 -8.899 -9.989 1.00 0.00 O ATOM 0 H GLU A 62 -0.901 -6.242 -5.239 1.00 0.00 H new ATOM 0 HA GLU A 62 0.198 -8.777 -5.726 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.871 -7.293 -6.700 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.724 -7.082 -8.008 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.501 -9.573 -8.166 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.724 -9.736 -6.922 1.00 0.00 H new ATOM 1002 N GLU A 63 1.920 -6.278 -6.887 1.00 0.00 N ATOM 1003 CA GLU A 63 3.166 -5.900 -7.547 1.00 0.00 C ATOM 1004 C GLU A 63 4.365 -6.603 -6.917 1.00 0.00 C ATOM 1005 O GLU A 63 5.192 -7.184 -7.620 1.00 0.00 O ATOM 1006 CB GLU A 63 3.352 -4.379 -7.492 1.00 0.00 C ATOM 1007 CG GLU A 63 3.320 -3.714 -8.857 1.00 0.00 C ATOM 1008 CD GLU A 63 4.700 -3.321 -9.347 1.00 0.00 C ATOM 1009 OE1 GLU A 63 5.601 -4.185 -9.340 1.00 0.00 O ATOM 1010 OE2 GLU A 63 4.880 -2.147 -9.737 1.00 0.00 O ATOM 0 H GLU A 63 1.435 -5.506 -6.429 1.00 0.00 H new ATOM 0 HA GLU A 63 3.104 -6.215 -8.589 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.569 -3.948 -6.868 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.303 -4.155 -7.010 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.863 -4.393 -9.577 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.689 -2.827 -8.810 1.00 0.00 H new ATOM 1017 N ILE A 64 4.459 -6.546 -5.594 1.00 0.00 N ATOM 1018 CA ILE A 64 5.561 -7.178 -4.881 1.00 0.00 C ATOM 1019 C ILE A 64 5.541 -8.693 -5.060 1.00 0.00 C ATOM 1020 O ILE A 64 6.571 -9.355 -4.936 1.00 0.00 O ATOM 1021 CB ILE A 64 5.517 -6.857 -3.374 1.00 0.00 C ATOM 1022 CG1 ILE A 64 5.353 -5.350 -3.154 1.00 0.00 C ATOM 1023 CG2 ILE A 64 6.776 -7.367 -2.687 1.00 0.00 C ATOM 1024 CD1 ILE A 64 5.428 -4.936 -1.700 1.00 0.00 C ATOM 0 H ILE A 64 3.786 -6.069 -4.994 1.00 0.00 H new ATOM 0 HA ILE A 64 6.479 -6.774 -5.308 1.00 0.00 H new ATOM 0 HB ILE A 64 4.657 -7.363 -2.934 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.127 -4.824 -3.713 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.394 -5.034 -3.564 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.730 -7.133 -1.623 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.850 -8.447 -2.818 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.650 -6.887 -3.127 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.304 -3.856 -1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.637 -5.434 -1.139 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.397 -5.220 -1.290 1.00 0.00 H new ATOM 1036 N LYS A 65 4.362 -9.237 -5.348 1.00 0.00 N ATOM 1037 CA LYS A 65 4.209 -10.676 -5.538 1.00 0.00 C ATOM 1038 C LYS A 65 5.151 -11.191 -6.623 1.00 0.00 C ATOM 1039 O LYS A 65 5.701 -12.285 -6.512 1.00 0.00 O ATOM 1040 CB LYS A 65 2.762 -11.014 -5.897 1.00 0.00 C ATOM 1041 CG LYS A 65 1.752 -10.509 -4.880 1.00 0.00 C ATOM 1042 CD LYS A 65 2.055 -11.035 -3.487 1.00 0.00 C ATOM 1043 CE LYS A 65 1.049 -10.525 -2.468 1.00 0.00 C ATOM 1044 NZ LYS A 65 0.936 -11.435 -1.295 1.00 0.00 N ATOM 0 H LYS A 65 3.499 -8.703 -5.455 1.00 0.00 H new ATOM 0 HA LYS A 65 4.467 -11.168 -4.600 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.529 -10.587 -6.872 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.662 -12.095 -5.991 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.760 -9.419 -4.868 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.750 -10.818 -5.177 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.043 -12.125 -3.498 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.059 -10.730 -3.192 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.346 -9.532 -2.130 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.073 -10.421 -2.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.240 -11.052 -0.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.628 -12.376 -1.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.861 -11.514 -0.827 1.00 0.00 H new ATOM 1058 N LYS A 66 5.332 -10.394 -7.671 1.00 0.00 N ATOM 1059 CA LYS A 66 6.210 -10.773 -8.771 1.00 0.00 C ATOM 1060 C LYS A 66 7.662 -10.826 -8.308 1.00 0.00 C ATOM 1061 O LYS A 66 8.341 -11.839 -8.479 1.00 0.00 O ATOM 1062 CB LYS A 66 6.065 -9.785 -9.932 1.00 0.00 C ATOM 1063 CG LYS A 66 5.132 -10.271 -11.030 1.00 0.00 C ATOM 1064 CD LYS A 66 5.906 -10.777 -12.239 1.00 0.00 C ATOM 1065 CE LYS A 66 5.798 -9.817 -13.413 1.00 0.00 C ATOM 1066 NZ LYS A 66 4.413 -9.761 -13.959 1.00 0.00 N ATOM 0 H LYS A 66 4.884 -9.484 -7.781 1.00 0.00 H new ATOM 0 HA LYS A 66 5.919 -11.766 -9.113 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.695 -8.835 -9.546 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.049 -9.594 -10.361 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.498 -11.069 -10.643 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.472 -9.458 -11.334 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.954 -10.909 -11.972 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.526 -11.756 -12.532 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.104 -8.820 -13.096 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.486 -10.127 -14.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.439 -9.401 -14.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.999 -10.715 -13.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.834 -9.128 -13.372 1.00 0.00 H new