USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 323 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+ 159:sc= -0.018 (180deg=-0.129) USER MOD Single : A 12 LYS NZ :NH3+ -152:sc= -0.128 (180deg=-0.632) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 159:sc=0.000758 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.211 K(o=-0.21,f=-1.5!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 125 N ASP A 9 -11.965 -2.319 -4.928 1.00 0.00 N ATOM 126 CA ASP A 9 -13.144 -1.834 -4.220 1.00 0.00 C ATOM 127 C ASP A 9 -12.978 -0.369 -3.826 1.00 0.00 C ATOM 128 O ASP A 9 -13.958 0.364 -3.691 1.00 0.00 O ATOM 129 CB ASP A 9 -13.402 -2.683 -2.974 1.00 0.00 C ATOM 130 CG ASP A 9 -14.278 -3.886 -3.265 1.00 0.00 C ATOM 131 OD1 ASP A 9 -15.466 -3.689 -3.596 1.00 0.00 O ATOM 132 OD2 ASP A 9 -13.776 -5.025 -3.162 1.00 0.00 O ATOM 0 HA ASP A 9 -13.999 -1.917 -4.891 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -12.450 -3.021 -2.564 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.877 -2.067 -2.210 1.00 0.00 H new ATOM 137 N LYS A 10 -11.731 0.051 -3.642 1.00 0.00 N ATOM 138 CA LYS A 10 -11.435 1.427 -3.264 1.00 0.00 C ATOM 139 C LYS A 10 -11.535 2.356 -4.470 1.00 0.00 C ATOM 140 O LYS A 10 -12.212 3.384 -4.419 1.00 0.00 O ATOM 141 CB LYS A 10 -10.036 1.520 -2.651 1.00 0.00 C ATOM 142 CG LYS A 10 -10.013 2.182 -1.284 1.00 0.00 C ATOM 143 CD LYS A 10 -8.593 2.465 -0.825 1.00 0.00 C ATOM 144 CE LYS A 10 -8.292 3.956 -0.831 1.00 0.00 C ATOM 145 NZ LYS A 10 -9.078 4.685 0.202 1.00 0.00 N ATOM 0 H LYS A 10 -10.909 -0.543 -3.749 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.171 1.740 -2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.618 0.517 -2.567 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.389 2.079 -3.327 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.577 3.114 -1.321 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.509 1.538 -0.558 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.448 2.068 0.180 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.889 1.948 -1.477 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.228 4.112 -0.655 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.516 4.368 -1.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.614 5.591 0.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.038 4.864 -0.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.132 4.110 1.067 1.00 0.00 H new ATOM 159 N ILE A 11 -10.859 1.987 -5.553 1.00 0.00 N ATOM 160 CA ILE A 11 -10.875 2.787 -6.772 1.00 0.00 C ATOM 161 C ILE A 11 -12.263 2.797 -7.404 1.00 0.00 C ATOM 162 O ILE A 11 -12.709 3.815 -7.933 1.00 0.00 O ATOM 163 CB ILE A 11 -9.858 2.263 -7.802 1.00 0.00 C ATOM 164 CG1 ILE A 11 -10.125 0.788 -8.111 1.00 0.00 C ATOM 165 CG2 ILE A 11 -8.438 2.453 -7.288 1.00 0.00 C ATOM 166 CD1 ILE A 11 -11.080 0.576 -9.264 1.00 0.00 C ATOM 0 H ILE A 11 -10.294 1.140 -5.611 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.601 3.803 -6.487 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.970 2.834 -8.724 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.179 0.296 -8.338 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.530 0.306 -7.221 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.730 2.078 -8.027 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.253 3.513 -7.114 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.313 1.905 -6.354 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.223 -0.492 -9.427 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.039 1.039 -9.032 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.668 1.028 -10.166 1.00 0.00 H new ATOM 178 N LYS A 12 -12.942 1.656 -7.346 1.00 0.00 N ATOM 179 CA LYS A 12 -14.281 1.533 -7.910 1.00 0.00 C ATOM 180 C LYS A 12 -15.297 2.303 -7.072 1.00 0.00 C ATOM 181 O LYS A 12 -16.327 2.745 -7.581 1.00 0.00 O ATOM 182 CB LYS A 12 -14.687 0.060 -7.995 1.00 0.00 C ATOM 183 CG LYS A 12 -16.142 -0.149 -8.377 1.00 0.00 C ATOM 184 CD LYS A 12 -17.028 -0.279 -7.149 1.00 0.00 C ATOM 185 CE LYS A 12 -17.292 -1.737 -6.805 1.00 0.00 C ATOM 186 NZ LYS A 12 -18.038 -2.437 -7.887 1.00 0.00 N ATOM 0 H LYS A 12 -12.587 0.803 -6.914 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.266 1.959 -8.913 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -14.053 -0.441 -8.726 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.501 -0.416 -7.032 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -16.483 0.688 -8.986 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -16.233 -1.046 -8.989 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -16.553 0.216 -6.302 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -17.975 0.231 -7.326 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -16.344 -2.246 -6.630 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -17.861 -1.794 -5.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -18.598 -3.212 -7.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -18.673 -1.764 -8.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -17.365 -2.824 -8.578 1.00 0.00 H new ATOM 200 N SER A 13 -14.999 2.461 -5.787 1.00 0.00 N ATOM 201 CA SER A 13 -15.888 3.177 -4.878 1.00 0.00 C ATOM 202 C SER A 13 -15.532 4.659 -4.825 1.00 0.00 C ATOM 203 O SER A 13 -16.374 5.502 -4.514 1.00 0.00 O ATOM 204 CB SER A 13 -15.813 2.571 -3.475 1.00 0.00 C ATOM 205 OG SER A 13 -16.806 3.123 -2.628 1.00 0.00 O ATOM 0 H SER A 13 -14.149 2.103 -5.351 1.00 0.00 H new ATOM 0 HA SER A 13 -16.907 3.080 -5.254 1.00 0.00 H new ATOM 0 HB2 SER A 13 -15.941 1.490 -3.535 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.826 2.752 -3.049 1.00 0.00 H new ATOM 0 HG SER A 13 -16.738 2.719 -1.738 1.00 0.00 H new ATOM 211 N LYS A 14 -14.277 4.971 -5.129 1.00 0.00 N ATOM 212 CA LYS A 14 -13.806 6.351 -5.118 1.00 0.00 C ATOM 213 C LYS A 14 -14.566 7.193 -6.137 1.00 0.00 C ATOM 214 O LYS A 14 -15.342 8.077 -5.771 1.00 0.00 O ATOM 215 CB LYS A 14 -12.306 6.402 -5.415 1.00 0.00 C ATOM 216 CG LYS A 14 -11.593 7.565 -4.747 1.00 0.00 C ATOM 217 CD LYS A 14 -12.262 8.890 -5.071 1.00 0.00 C ATOM 218 CE LYS A 14 -12.228 9.181 -6.564 1.00 0.00 C ATOM 219 NZ LYS A 14 -11.400 10.378 -6.876 1.00 0.00 N ATOM 0 H LYS A 14 -13.567 4.286 -5.386 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.987 6.763 -4.125 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.847 5.469 -5.087 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.160 6.468 -6.493 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.584 7.416 -3.667 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.554 7.592 -5.074 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.296 8.871 -4.726 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.761 9.693 -4.531 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.830 8.316 -7.094 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.244 9.337 -6.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.402 10.543 -7.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.794 11.209 -6.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.424 10.219 -6.553 1.00 0.00 H new ATOM 233 N ILE A 15 -14.340 6.913 -7.416 1.00 0.00 N ATOM 234 CA ILE A 15 -15.006 7.644 -8.487 1.00 0.00 C ATOM 235 C ILE A 15 -16.522 7.543 -8.361 1.00 0.00 C ATOM 236 O ILE A 15 -17.241 8.519 -8.580 1.00 0.00 O ATOM 237 CB ILE A 15 -14.581 7.124 -9.873 1.00 0.00 C ATOM 238 CG1 ILE A 15 -13.056 7.024 -9.958 1.00 0.00 C ATOM 239 CG2 ILE A 15 -15.120 8.032 -10.968 1.00 0.00 C ATOM 240 CD1 ILE A 15 -12.553 5.610 -10.144 1.00 0.00 C ATOM 0 H ILE A 15 -13.701 6.185 -7.736 1.00 0.00 H new ATOM 0 HA ILE A 15 -14.705 8.687 -8.392 1.00 0.00 H new ATOM 0 HB ILE A 15 -15.000 6.128 -10.016 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.705 7.638 -10.788 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.621 7.439 -9.049 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -14.811 7.651 -11.941 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -16.209 8.057 -10.917 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.727 9.040 -10.831 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.464 5.615 -10.196 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.873 4.996 -9.302 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.958 5.198 -11.068 1.00 0.00 H new ATOM 252 N LEU A 16 -17.003 6.356 -8.007 1.00 0.00 N ATOM 253 CA LEU A 16 -18.435 6.127 -7.850 1.00 0.00 C ATOM 254 C LEU A 16 -19.011 7.015 -6.752 1.00 0.00 C ATOM 255 O LEU A 16 -19.906 7.824 -6.999 1.00 0.00 O ATOM 256 CB LEU A 16 -18.703 4.656 -7.526 1.00 0.00 C ATOM 257 CG LEU A 16 -18.909 3.731 -8.726 1.00 0.00 C ATOM 258 CD1 LEU A 16 -20.275 3.965 -9.351 1.00 0.00 C ATOM 259 CD2 LEU A 16 -17.807 3.939 -9.755 1.00 0.00 C ATOM 0 H LEU A 16 -16.422 5.538 -7.823 1.00 0.00 H new ATOM 0 HA LEU A 16 -18.924 6.381 -8.790 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -17.867 4.276 -6.939 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -19.589 4.600 -6.893 1.00 0.00 H new ATOM 0 HG LEU A 16 -18.863 2.699 -8.378 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -20.404 3.298 -10.203 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -21.052 3.765 -8.613 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -20.350 5.000 -9.685 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -17.970 3.273 -10.602 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -17.821 4.973 -10.099 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -16.840 3.720 -9.302 1.00 0.00 H new ATOM 271 N ASP A 17 -18.492 6.859 -5.539 1.00 0.00 N ATOM 272 CA ASP A 17 -18.953 7.649 -4.403 1.00 0.00 C ATOM 273 C ASP A 17 -18.697 9.135 -4.635 1.00 0.00 C ATOM 274 O ASP A 17 -19.506 9.981 -4.252 1.00 0.00 O ATOM 275 CB ASP A 17 -18.255 7.193 -3.121 1.00 0.00 C ATOM 276 CG ASP A 17 -18.785 7.901 -1.889 1.00 0.00 C ATOM 277 OD1 ASP A 17 -18.486 9.102 -1.720 1.00 0.00 O ATOM 278 OD2 ASP A 17 -19.499 7.254 -1.095 1.00 0.00 O ATOM 0 H ASP A 17 -17.752 6.193 -5.317 1.00 0.00 H new ATOM 0 HA ASP A 17 -20.027 7.496 -4.297 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.386 6.117 -3.003 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -17.184 7.376 -3.209 1.00 0.00 H new ATOM 283 N ASP A 18 -17.568 9.445 -5.262 1.00 0.00 N ATOM 284 CA ASP A 18 -17.206 10.829 -5.545 1.00 0.00 C ATOM 285 C ASP A 18 -18.198 11.463 -6.515 1.00 0.00 C ATOM 286 O ASP A 18 -18.814 12.483 -6.210 1.00 0.00 O ATOM 287 CB ASP A 18 -15.792 10.900 -6.123 1.00 0.00 C ATOM 288 CG ASP A 18 -15.382 12.316 -6.478 1.00 0.00 C ATOM 289 OD1 ASP A 18 -15.858 13.257 -5.808 1.00 0.00 O ATOM 290 OD2 ASP A 18 -14.585 12.483 -7.424 1.00 0.00 O ATOM 0 H ASP A 18 -16.888 8.757 -5.584 1.00 0.00 H new ATOM 0 HA ASP A 18 -17.236 11.385 -4.608 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -15.086 10.491 -5.400 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -15.735 10.274 -7.014 1.00 0.00 H new ATOM 295 N ALA A 19 -18.347 10.851 -7.686 1.00 0.00 N ATOM 296 CA ALA A 19 -19.264 11.355 -8.700 1.00 0.00 C ATOM 297 C ALA A 19 -20.657 11.575 -8.120 1.00 0.00 C ATOM 298 O ALA A 19 -21.197 12.680 -8.175 1.00 0.00 O ATOM 299 CB ALA A 19 -19.327 10.395 -9.879 1.00 0.00 C ATOM 0 H ALA A 19 -17.844 10.005 -7.955 1.00 0.00 H new ATOM 0 HA ALA A 19 -18.888 12.317 -9.048 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -20.016 10.784 -10.629 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -18.334 10.291 -10.317 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -19.676 9.421 -9.537 1.00 0.00 H new ATOM 305 N LYS A 20 -21.235 10.516 -7.564 1.00 0.00 N ATOM 306 CA LYS A 20 -22.566 10.592 -6.972 1.00 0.00 C ATOM 307 C LYS A 20 -22.620 11.667 -5.891 1.00 0.00 C ATOM 308 O LYS A 20 -23.643 12.326 -5.708 1.00 0.00 O ATOM 309 CB LYS A 20 -22.962 9.238 -6.381 1.00 0.00 C ATOM 310 CG LYS A 20 -22.207 8.884 -5.111 1.00 0.00 C ATOM 311 CD LYS A 20 -22.683 7.564 -4.528 1.00 0.00 C ATOM 312 CE LYS A 20 -22.305 7.435 -3.061 1.00 0.00 C ATOM 313 NZ LYS A 20 -21.986 6.027 -2.693 1.00 0.00 N ATOM 0 H LYS A 20 -20.802 9.594 -7.511 1.00 0.00 H new ATOM 0 HA LYS A 20 -23.272 10.858 -7.759 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -24.031 9.242 -6.169 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -22.788 8.461 -7.126 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -21.140 8.824 -5.326 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -22.340 9.677 -4.375 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -23.765 7.487 -4.634 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -22.248 6.738 -5.091 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -21.444 8.070 -2.850 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -23.126 7.796 -2.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -21.408 6.017 -1.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -22.869 5.503 -2.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -21.458 5.577 -3.468 1.00 0.00 H new ATOM 327 N ALA A 21 -21.511 11.839 -5.178 1.00 0.00 N ATOM 328 CA ALA A 21 -21.431 12.836 -4.118 1.00 0.00 C ATOM 329 C ALA A 21 -21.478 14.249 -4.689 1.00 0.00 C ATOM 330 O ALA A 21 -22.134 15.130 -4.135 1.00 0.00 O ATOM 331 CB ALA A 21 -20.164 12.636 -3.300 1.00 0.00 C ATOM 0 H ALA A 21 -20.656 11.300 -5.316 1.00 0.00 H new ATOM 0 HA ALA A 21 -22.295 12.707 -3.466 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -20.117 13.388 -2.512 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -20.172 11.642 -2.853 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -19.293 12.735 -3.948 1.00 0.00 H new ATOM 337 N GLU A 22 -20.776 14.458 -5.799 1.00 0.00 N ATOM 338 CA GLU A 22 -20.737 15.765 -6.443 1.00 0.00 C ATOM 339 C GLU A 22 -22.136 16.204 -6.868 1.00 0.00 C ATOM 340 O GLU A 22 -22.503 17.369 -6.722 1.00 0.00 O ATOM 341 CB GLU A 22 -19.809 15.732 -7.659 1.00 0.00 C ATOM 342 CG GLU A 22 -18.897 16.943 -7.761 1.00 0.00 C ATOM 343 CD GLU A 22 -17.613 16.644 -8.511 1.00 0.00 C ATOM 344 OE1 GLU A 22 -16.823 15.808 -8.025 1.00 0.00 O ATOM 345 OE2 GLU A 22 -17.399 17.247 -9.583 1.00 0.00 O ATOM 0 H GLU A 22 -20.227 13.739 -6.270 1.00 0.00 H new ATOM 0 HA GLU A 22 -20.352 16.486 -5.721 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -19.198 14.830 -7.615 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -20.412 15.665 -8.564 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -19.427 17.751 -8.264 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -18.654 17.296 -6.759 1.00 0.00 H new ATOM 352 N ALA A 23 -22.910 15.262 -7.395 1.00 0.00 N ATOM 353 CA ALA A 23 -24.268 15.550 -7.841 1.00 0.00 C ATOM 354 C ALA A 23 -25.238 15.574 -6.665 1.00 0.00 C ATOM 355 O ALA A 23 -26.316 16.161 -6.749 1.00 0.00 O ATOM 356 CB ALA A 23 -24.713 14.525 -8.874 1.00 0.00 C ATOM 0 H ALA A 23 -22.620 14.293 -7.524 1.00 0.00 H new ATOM 0 HA ALA A 23 -24.271 16.538 -8.301 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -25.729 14.752 -9.198 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -24.042 14.559 -9.732 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -24.687 13.529 -8.432 1.00 0.00 H new ATOM 362 N ASN A 24 -24.848 14.931 -5.568 1.00 0.00 N ATOM 363 CA ASN A 24 -25.685 14.878 -4.375 1.00 0.00 C ATOM 364 C ASN A 24 -25.488 16.124 -3.517 1.00 0.00 C ATOM 365 O ASN A 24 -26.382 16.525 -2.770 1.00 0.00 O ATOM 366 CB ASN A 24 -25.364 13.626 -3.557 1.00 0.00 C ATOM 367 CG ASN A 24 -26.221 12.439 -3.954 1.00 0.00 C ATOM 368 OD1 ASN A 24 -27.365 12.601 -4.378 1.00 0.00 O ATOM 369 ND2 ASN A 24 -25.670 11.239 -3.819 1.00 0.00 N ATOM 0 H ASN A 24 -23.958 14.440 -5.481 1.00 0.00 H new ATOM 0 HA ASN A 24 -26.727 14.839 -4.693 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -24.312 13.371 -3.687 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -25.512 13.839 -2.498 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -26.199 10.404 -4.071 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -24.718 11.152 -3.463 1.00 0.00 H new ATOM 376 N LYS A 25 -24.313 16.733 -3.629 1.00 0.00 N ATOM 377 CA LYS A 25 -23.998 17.935 -2.866 1.00 0.00 C ATOM 378 C LYS A 25 -24.392 19.189 -3.639 1.00 0.00 C ATOM 379 O LYS A 25 -24.556 20.262 -3.057 1.00 0.00 O ATOM 380 CB LYS A 25 -22.505 17.976 -2.534 1.00 0.00 C ATOM 381 CG LYS A 25 -22.214 18.015 -1.044 1.00 0.00 C ATOM 382 CD LYS A 25 -22.826 16.825 -0.325 1.00 0.00 C ATOM 383 CE LYS A 25 -21.946 16.354 0.824 1.00 0.00 C ATOM 384 NZ LYS A 25 -21.889 14.869 0.906 1.00 0.00 N ATOM 0 H LYS A 25 -23.562 16.414 -4.241 1.00 0.00 H new ATOM 0 HA LYS A 25 -24.570 17.907 -1.938 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -22.021 17.101 -2.967 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -22.060 18.852 -3.006 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -21.136 18.023 -0.883 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -22.607 18.939 -0.620 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -23.810 17.096 0.057 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -22.972 16.008 -1.031 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -20.938 16.750 0.695 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -22.329 16.755 1.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -21.280 14.588 1.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -22.847 14.492 1.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -21.500 14.487 0.020 1.00 0.00 H new ATOM 398 N ILE A 26 -24.545 19.047 -4.951 1.00 0.00 N ATOM 399 CA ILE A 26 -24.923 20.168 -5.802 1.00 0.00 C ATOM 400 C ILE A 26 -26.438 20.332 -5.856 1.00 0.00 C ATOM 401 O ILE A 26 -26.946 21.431 -6.076 1.00 0.00 O ATOM 402 CB ILE A 26 -24.386 19.993 -7.235 1.00 0.00 C ATOM 403 CG1 ILE A 26 -24.328 21.345 -7.950 1.00 0.00 C ATOM 404 CG2 ILE A 26 -25.255 19.015 -8.011 1.00 0.00 C ATOM 405 CD1 ILE A 26 -23.324 22.304 -7.349 1.00 0.00 C ATOM 0 H ILE A 26 -24.413 18.166 -5.448 1.00 0.00 H new ATOM 0 HA ILE A 26 -24.479 21.061 -5.362 1.00 0.00 H new ATOM 0 HB ILE A 26 -23.376 19.587 -7.181 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -24.080 21.182 -8.999 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -25.317 21.803 -7.924 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -24.862 18.902 -9.022 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -25.250 18.047 -7.510 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -26.276 19.394 -8.059 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -23.337 23.241 -7.906 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -23.583 22.497 -6.308 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -22.327 21.866 -7.399 1.00 0.00 H new ATOM 417 N ILE A 27 -27.154 19.231 -5.651 1.00 0.00 N ATOM 418 CA ILE A 27 -28.611 19.253 -5.673 1.00 0.00 C ATOM 419 C ILE A 27 -29.172 19.802 -4.366 1.00 0.00 C ATOM 420 O ILE A 27 -30.226 20.439 -4.349 1.00 0.00 O ATOM 421 CB ILE A 27 -29.192 17.848 -5.918 1.00 0.00 C ATOM 422 CG1 ILE A 27 -28.638 16.858 -4.891 1.00 0.00 C ATOM 423 CG2 ILE A 27 -28.878 17.384 -7.332 1.00 0.00 C ATOM 424 CD1 ILE A 27 -29.693 16.293 -3.966 1.00 0.00 C ATOM 0 H ILE A 27 -26.749 18.313 -5.468 1.00 0.00 H new ATOM 0 HA ILE A 27 -28.904 19.907 -6.495 1.00 0.00 H new ATOM 0 HB ILE A 27 -30.275 17.893 -5.804 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -28.150 16.037 -5.416 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -27.873 17.355 -4.295 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -29.295 16.389 -7.490 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -29.316 18.079 -8.049 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -27.798 17.351 -7.472 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -29.229 15.599 -3.265 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -30.165 17.105 -3.413 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -30.447 15.767 -4.552 1.00 0.00 H new ATOM 436 N SER A 28 -28.460 19.553 -3.271 1.00 0.00 N ATOM 437 CA SER A 28 -28.887 20.021 -1.958 1.00 0.00 C ATOM 438 C SER A 28 -28.422 21.453 -1.714 1.00 0.00 C ATOM 439 O SER A 28 -29.214 22.319 -1.343 1.00 0.00 O ATOM 440 CB SER A 28 -28.342 19.102 -0.863 1.00 0.00 C ATOM 441 OG SER A 28 -28.546 19.663 0.422 1.00 0.00 O ATOM 0 H SER A 28 -27.585 19.030 -3.268 1.00 0.00 H new ATOM 0 HA SER A 28 -29.976 20.001 -1.930 1.00 0.00 H new ATOM 0 HB2 SER A 28 -28.833 18.131 -0.921 1.00 0.00 H new ATOM 0 HB3 SER A 28 -27.278 18.931 -1.024 1.00 0.00 H new ATOM 0 HG SER A 28 -28.190 19.056 1.104 1.00 0.00 H new ATOM 447 N GLU A 29 -27.132 21.694 -1.924 1.00 0.00 N ATOM 448 CA GLU A 29 -26.560 23.021 -1.726 1.00 0.00 C ATOM 449 C GLU A 29 -27.245 24.048 -2.622 1.00 0.00 C ATOM 450 O GLU A 29 -27.211 25.247 -2.349 1.00 0.00 O ATOM 451 CB GLU A 29 -25.057 23.001 -2.011 1.00 0.00 C ATOM 452 CG GLU A 29 -24.249 22.247 -0.968 1.00 0.00 C ATOM 453 CD GLU A 29 -22.803 22.052 -1.379 1.00 0.00 C ATOM 454 OE1 GLU A 29 -22.486 22.283 -2.564 1.00 0.00 O ATOM 455 OE2 GLU A 29 -21.988 21.667 -0.514 1.00 0.00 O ATOM 0 H GLU A 29 -26.463 20.988 -2.231 1.00 0.00 H new ATOM 0 HA GLU A 29 -26.721 23.306 -0.686 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -24.887 22.547 -2.987 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -24.693 24.027 -2.068 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -24.284 22.791 -0.024 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -24.707 21.274 -0.793 1.00 0.00 H new ATOM 462 N ALA A 30 -27.867 23.568 -3.694 1.00 0.00 N ATOM 463 CA ALA A 30 -28.562 24.442 -4.630 1.00 0.00 C ATOM 464 C ALA A 30 -29.979 24.742 -4.153 1.00 0.00 C ATOM 465 O ALA A 30 -30.294 25.874 -3.788 1.00 0.00 O ATOM 466 CB ALA A 30 -28.591 23.816 -6.017 1.00 0.00 C ATOM 0 H ALA A 30 -27.904 22.578 -3.936 1.00 0.00 H new ATOM 0 HA ALA A 30 -28.017 25.384 -4.681 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -29.113 24.480 -6.705 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -27.571 23.660 -6.367 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -29.110 22.858 -5.973 1.00 0.00 H new ATOM 472 N GLU A 31 -30.829 23.720 -4.161 1.00 0.00 N ATOM 473 CA GLU A 31 -32.214 23.876 -3.730 1.00 0.00 C ATOM 474 C GLU A 31 -32.285 24.554 -2.365 1.00 0.00 C ATOM 475 O GLU A 31 -33.241 25.270 -2.065 1.00 0.00 O ATOM 476 CB GLU A 31 -32.910 22.515 -3.673 1.00 0.00 C ATOM 477 CG GLU A 31 -32.496 21.669 -2.480 1.00 0.00 C ATOM 478 CD GLU A 31 -33.168 20.310 -2.467 1.00 0.00 C ATOM 479 OE1 GLU A 31 -34.331 20.220 -2.912 1.00 0.00 O ATOM 480 OE2 GLU A 31 -32.531 19.337 -2.012 1.00 0.00 O ATOM 0 H GLU A 31 -30.584 22.776 -4.461 1.00 0.00 H new ATOM 0 HA GLU A 31 -32.726 24.507 -4.457 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -33.989 22.669 -3.642 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -32.693 21.967 -4.590 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -31.414 21.535 -2.492 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -32.741 22.200 -1.560 1.00 0.00 H new ATOM 487 N ALA A 32 -31.268 24.323 -1.542 1.00 0.00 N ATOM 488 CA ALA A 32 -31.214 24.912 -0.209 1.00 0.00 C ATOM 489 C ALA A 32 -31.002 26.420 -0.284 1.00 0.00 C ATOM 490 O ALA A 32 -31.906 27.199 0.015 1.00 0.00 O ATOM 491 CB ALA A 32 -30.111 24.261 0.611 1.00 0.00 C ATOM 0 H ALA A 32 -30.470 23.732 -1.775 1.00 0.00 H new ATOM 0 HA ALA A 32 -32.170 24.730 0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -30.082 24.710 1.604 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -30.307 23.193 0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -29.152 24.413 0.116 1.00 0.00 H new ATOM 497 N GLU A 33 -29.800 26.825 -0.683 1.00 0.00 N ATOM 498 CA GLU A 33 -29.469 28.241 -0.795 1.00 0.00 C ATOM 499 C GLU A 33 -30.488 28.970 -1.667 1.00 0.00 C ATOM 500 O GLU A 33 -30.789 30.142 -1.441 1.00 0.00 O ATOM 501 CB GLU A 33 -28.066 28.415 -1.378 1.00 0.00 C ATOM 502 CG GLU A 33 -26.955 28.018 -0.420 1.00 0.00 C ATOM 503 CD GLU A 33 -25.582 28.423 -0.919 1.00 0.00 C ATOM 504 OE1 GLU A 33 -25.250 28.096 -2.077 1.00 0.00 O ATOM 505 OE2 GLU A 33 -24.839 29.069 -0.150 1.00 0.00 O ATOM 0 H GLU A 33 -29.040 26.193 -0.934 1.00 0.00 H new ATOM 0 HA GLU A 33 -29.495 28.674 0.205 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -27.982 27.817 -2.286 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -27.929 29.457 -1.668 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -27.135 28.480 0.551 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -26.979 26.939 -0.269 1.00 0.00 H new ATOM 512 N LYS A 34 -31.016 28.268 -2.663 1.00 0.00 N ATOM 513 CA LYS A 34 -32.001 28.845 -3.570 1.00 0.00 C ATOM 514 C LYS A 34 -33.269 29.236 -2.817 1.00 0.00 C ATOM 515 O LYS A 34 -33.597 30.416 -2.704 1.00 0.00 O ATOM 516 CB LYS A 34 -32.341 27.855 -4.685 1.00 0.00 C ATOM 517 CG LYS A 34 -33.548 28.261 -5.513 1.00 0.00 C ATOM 518 CD LYS A 34 -33.905 27.198 -6.538 1.00 0.00 C ATOM 519 CE LYS A 34 -34.466 27.817 -7.810 1.00 0.00 C ATOM 520 NZ LYS A 34 -33.386 28.252 -8.737 1.00 0.00 N ATOM 0 H LYS A 34 -30.778 27.297 -2.863 1.00 0.00 H new ATOM 0 HA LYS A 34 -31.570 29.743 -4.011 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -31.478 27.751 -5.343 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -32.526 26.875 -4.245 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -34.400 28.434 -4.855 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -33.341 29.203 -6.021 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -33.019 26.610 -6.778 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -34.637 26.512 -6.112 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -35.108 27.094 -8.314 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -35.091 28.673 -7.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -33.809 28.668 -9.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -32.789 28.961 -8.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -32.805 27.431 -9.003 1.00 0.00 H new ATOM 534 N ALA A 35 -33.978 28.236 -2.303 1.00 0.00 N ATOM 535 CA ALA A 35 -35.208 28.475 -1.559 1.00 0.00 C ATOM 536 C ALA A 35 -34.955 29.377 -0.355 1.00 0.00 C ATOM 537 O ALA A 35 -35.883 29.964 0.201 1.00 0.00 O ATOM 538 CB ALA A 35 -35.820 27.156 -1.112 1.00 0.00 C ATOM 0 H ALA A 35 -33.721 27.253 -2.388 1.00 0.00 H new ATOM 0 HA ALA A 35 -35.910 28.983 -2.220 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -36.738 27.350 -0.557 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -36.046 26.545 -1.986 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -35.115 26.626 -0.472 1.00 0.00 H new ATOM 544 N LYS A 36 -33.692 29.482 0.044 1.00 0.00 N ATOM 545 CA LYS A 36 -33.315 30.312 1.181 1.00 0.00 C ATOM 546 C LYS A 36 -33.189 31.775 0.769 1.00 0.00 C ATOM 547 O LYS A 36 -33.762 32.660 1.406 1.00 0.00 O ATOM 548 CB LYS A 36 -31.993 29.825 1.779 1.00 0.00 C ATOM 549 CG LYS A 36 -31.672 30.442 3.129 1.00 0.00 C ATOM 550 CD LYS A 36 -31.054 29.425 4.075 1.00 0.00 C ATOM 551 CE LYS A 36 -29.572 29.229 3.791 1.00 0.00 C ATOM 552 NZ LYS A 36 -29.189 27.790 3.815 1.00 0.00 N ATOM 0 H LYS A 36 -32.912 29.002 -0.404 1.00 0.00 H new ATOM 0 HA LYS A 36 -34.099 30.230 1.933 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -32.029 28.741 1.884 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -31.184 30.051 1.084 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -30.986 31.278 2.994 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -32.583 30.845 3.572 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -31.188 29.756 5.105 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -31.574 28.472 3.977 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -29.330 29.653 2.817 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -28.985 29.774 4.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -28.172 27.698 3.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -29.397 27.391 4.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -29.730 27.275 3.092 1.00 0.00 H new ATOM 566 N ILE A 37 -32.438 32.022 -0.299 1.00 0.00 N ATOM 567 CA ILE A 37 -32.241 33.378 -0.796 1.00 0.00 C ATOM 568 C ILE A 37 -33.483 33.884 -1.520 1.00 0.00 C ATOM 569 O ILE A 37 -33.753 35.086 -1.547 1.00 0.00 O ATOM 570 CB ILE A 37 -31.036 33.457 -1.752 1.00 0.00 C ATOM 571 CG1 ILE A 37 -31.355 32.749 -3.070 1.00 0.00 C ATOM 572 CG2 ILE A 37 -29.803 32.846 -1.102 1.00 0.00 C ATOM 573 CD1 ILE A 37 -30.197 32.732 -4.043 1.00 0.00 C ATOM 0 H ILE A 37 -31.956 31.301 -0.836 1.00 0.00 H new ATOM 0 HA ILE A 37 -32.048 34.008 0.073 1.00 0.00 H new ATOM 0 HB ILE A 37 -30.829 34.506 -1.965 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -31.656 31.723 -2.858 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -32.207 33.241 -3.540 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -28.960 32.909 -1.790 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -29.567 33.390 -0.187 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -29.998 31.801 -0.863 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -30.495 32.214 -4.955 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -29.910 33.755 -4.284 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -29.350 32.214 -3.592 1.00 0.00 H new ATOM 585 N LEU A 38 -34.238 32.961 -2.105 1.00 0.00 N ATOM 586 CA LEU A 38 -35.455 33.313 -2.828 1.00 0.00 C ATOM 587 C LEU A 38 -36.497 33.907 -1.886 1.00 0.00 C ATOM 588 O LEU A 38 -37.199 34.853 -2.240 1.00 0.00 O ATOM 589 CB LEU A 38 -36.030 32.081 -3.530 1.00 0.00 C ATOM 590 CG LEU A 38 -35.669 31.920 -5.007 1.00 0.00 C ATOM 591 CD1 LEU A 38 -36.141 33.125 -5.806 1.00 0.00 C ATOM 592 CD2 LEU A 38 -34.169 31.723 -5.172 1.00 0.00 C ATOM 0 H LEU A 38 -34.029 31.963 -2.093 1.00 0.00 H new ATOM 0 HA LEU A 38 -35.198 34.063 -3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -35.693 31.193 -2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -37.116 32.112 -3.443 1.00 0.00 H new ATOM 0 HG LEU A 38 -36.176 31.034 -5.390 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -35.875 32.993 -6.855 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -37.223 33.221 -5.715 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -35.663 34.026 -5.422 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -33.931 31.610 -6.230 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -33.642 32.589 -4.772 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -33.858 30.828 -4.633 1.00 0.00 H new ATOM 604 N GLU A 39 -36.588 33.346 -0.684 1.00 0.00 N ATOM 605 CA GLU A 39 -37.543 33.823 0.310 1.00 0.00 C ATOM 606 C GLU A 39 -36.924 34.912 1.181 1.00 0.00 C ATOM 607 O GLU A 39 -37.616 35.817 1.648 1.00 0.00 O ATOM 608 CB GLU A 39 -38.021 32.663 1.187 1.00 0.00 C ATOM 609 CG GLU A 39 -39.385 32.122 0.791 1.00 0.00 C ATOM 610 CD GLU A 39 -40.139 31.526 1.964 1.00 0.00 C ATOM 611 OE1 GLU A 39 -40.056 32.096 3.072 1.00 0.00 O ATOM 612 OE2 GLU A 39 -40.811 30.492 1.773 1.00 0.00 O ATOM 0 H GLU A 39 -36.013 32.562 -0.375 1.00 0.00 H new ATOM 0 HA GLU A 39 -38.397 34.247 -0.218 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -37.291 31.855 1.136 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -38.058 32.995 2.225 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -39.977 32.926 0.354 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -39.260 31.362 0.020 1.00 0.00 H new ATOM 619 N LYS A 40 -35.616 34.818 1.395 1.00 0.00 N ATOM 620 CA LYS A 40 -34.902 35.794 2.209 1.00 0.00 C ATOM 621 C LYS A 40 -34.754 37.118 1.465 1.00 0.00 C ATOM 622 O LYS A 40 -34.999 38.186 2.025 1.00 0.00 O ATOM 623 CB LYS A 40 -33.522 35.256 2.594 1.00 0.00 C ATOM 624 CG LYS A 40 -32.729 36.197 3.484 1.00 0.00 C ATOM 625 CD LYS A 40 -31.996 35.441 4.580 1.00 0.00 C ATOM 626 CE LYS A 40 -32.641 35.665 5.939 1.00 0.00 C ATOM 627 NZ LYS A 40 -31.666 35.493 7.051 1.00 0.00 N ATOM 0 H LYS A 40 -35.029 34.075 1.016 1.00 0.00 H new ATOM 0 HA LYS A 40 -35.482 35.969 3.115 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -33.643 34.301 3.106 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -32.951 35.061 1.686 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -32.011 36.752 2.880 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -33.401 36.929 3.932 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -31.993 34.376 4.349 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -30.955 35.763 4.612 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -33.064 36.669 5.979 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -33.467 34.966 6.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -32.144 35.654 7.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -31.281 34.527 7.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -30.891 36.178 6.942 1.00 0.00 H new ATOM 641 N ALA A 41 -34.352 37.039 0.201 1.00 0.00 N ATOM 642 CA ALA A 41 -34.175 38.231 -0.620 1.00 0.00 C ATOM 643 C ALA A 41 -35.519 38.860 -0.971 1.00 0.00 C ATOM 644 O ALA A 41 -35.743 40.047 -0.731 1.00 0.00 O ATOM 645 CB ALA A 41 -33.403 37.890 -1.886 1.00 0.00 C ATOM 0 H ALA A 41 -34.143 36.163 -0.277 1.00 0.00 H new ATOM 0 HA ALA A 41 -33.603 38.958 -0.043 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -33.278 38.789 -2.489 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -32.423 37.493 -1.619 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -33.954 37.143 -2.458 1.00 0.00 H new ATOM 651 N LYS A 42 -36.412 38.058 -1.542 1.00 0.00 N ATOM 652 CA LYS A 42 -37.735 38.536 -1.926 1.00 0.00 C ATOM 653 C LYS A 42 -38.445 39.183 -0.742 1.00 0.00 C ATOM 654 O LYS A 42 -39.297 40.053 -0.918 1.00 0.00 O ATOM 655 CB LYS A 42 -38.578 37.381 -2.471 1.00 0.00 C ATOM 656 CG LYS A 42 -39.965 37.802 -2.926 1.00 0.00 C ATOM 657 CD LYS A 42 -41.032 37.364 -1.937 1.00 0.00 C ATOM 658 CE LYS A 42 -41.605 36.003 -2.302 1.00 0.00 C ATOM 659 NZ LYS A 42 -41.270 34.969 -1.284 1.00 0.00 N ATOM 0 H LYS A 42 -36.243 37.074 -1.749 1.00 0.00 H new ATOM 0 HA LYS A 42 -37.610 39.287 -2.706 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -38.053 36.923 -3.309 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -38.674 36.617 -1.700 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -39.998 38.885 -3.042 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -40.175 37.370 -3.904 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -40.606 37.324 -0.935 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -41.833 38.103 -1.913 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -42.688 36.079 -2.399 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -41.218 35.695 -3.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -41.678 34.056 -1.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -40.237 34.878 -1.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -41.661 35.250 -0.362 1.00 0.00 H new ATOM 673 N GLU A 43 -38.087 38.753 0.464 1.00 0.00 N ATOM 674 CA GLU A 43 -38.691 39.292 1.677 1.00 0.00 C ATOM 675 C GLU A 43 -37.922 40.514 2.171 1.00 0.00 C ATOM 676 O GLU A 43 -38.459 41.619 2.221 1.00 0.00 O ATOM 677 CB GLU A 43 -38.731 38.224 2.772 1.00 0.00 C ATOM 678 CG GLU A 43 -39.162 38.758 4.128 1.00 0.00 C ATOM 679 CD GLU A 43 -39.720 37.675 5.030 1.00 0.00 C ATOM 680 OE1 GLU A 43 -39.580 36.483 4.683 1.00 0.00 O ATOM 681 OE2 GLU A 43 -40.296 38.018 6.083 1.00 0.00 O ATOM 0 H GLU A 43 -37.382 38.034 0.627 1.00 0.00 H new ATOM 0 HA GLU A 43 -39.710 39.597 1.440 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -39.415 37.431 2.469 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -37.742 37.774 2.865 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -38.309 39.229 4.617 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -39.916 39.532 3.987 1.00 0.00 H new ATOM 688 N GLU A 44 -36.660 40.305 2.534 1.00 0.00 N ATOM 689 CA GLU A 44 -35.817 41.389 3.026 1.00 0.00 C ATOM 690 C GLU A 44 -35.856 42.581 2.074 1.00 0.00 C ATOM 691 O GLU A 44 -35.790 43.733 2.503 1.00 0.00 O ATOM 692 CB GLU A 44 -34.376 40.906 3.198 1.00 0.00 C ATOM 693 CG GLU A 44 -33.629 40.738 1.885 1.00 0.00 C ATOM 694 CD GLU A 44 -32.456 39.784 1.999 1.00 0.00 C ATOM 695 OE1 GLU A 44 -32.315 39.143 3.061 1.00 0.00 O ATOM 696 OE2 GLU A 44 -31.680 39.679 1.026 1.00 0.00 O ATOM 0 H GLU A 44 -36.199 39.396 2.497 1.00 0.00 H new ATOM 0 HA GLU A 44 -36.204 41.706 3.995 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -33.836 41.616 3.825 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -34.382 39.953 3.727 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -34.318 40.372 1.124 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -33.270 41.711 1.549 1.00 0.00 H new ATOM 703 N ALA A 45 -35.962 42.296 0.781 1.00 0.00 N ATOM 704 CA ALA A 45 -36.011 43.344 -0.231 1.00 0.00 C ATOM 705 C ALA A 45 -37.379 44.016 -0.260 1.00 0.00 C ATOM 706 O ALA A 45 -37.478 45.239 -0.355 1.00 0.00 O ATOM 707 CB ALA A 45 -35.672 42.772 -1.600 1.00 0.00 C ATOM 0 H ALA A 45 -36.016 41.348 0.409 1.00 0.00 H new ATOM 0 HA ALA A 45 -35.270 44.100 0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -35.712 43.566 -2.346 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -34.669 42.345 -1.578 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -36.391 41.995 -1.858 1.00 0.00 H new ATOM 713 N GLU A 46 -38.432 43.208 -0.179 1.00 0.00 N ATOM 714 CA GLU A 46 -39.795 43.727 -0.198 1.00 0.00 C ATOM 715 C GLU A 46 -40.084 44.544 1.058 1.00 0.00 C ATOM 716 O GLU A 46 -40.888 45.475 1.035 1.00 0.00 O ATOM 717 CB GLU A 46 -40.799 42.578 -0.315 1.00 0.00 C ATOM 718 CG GLU A 46 -41.093 42.170 -1.749 1.00 0.00 C ATOM 719 CD GLU A 46 -41.976 40.940 -1.836 1.00 0.00 C ATOM 720 OE1 GLU A 46 -41.992 40.151 -0.869 1.00 0.00 O ATOM 721 OE2 GLU A 46 -42.650 40.768 -2.873 1.00 0.00 O ATOM 0 H GLU A 46 -38.368 42.193 -0.100 1.00 0.00 H new ATOM 0 HA GLU A 46 -39.897 44.379 -1.065 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -40.415 41.714 0.228 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -41.731 42.870 0.169 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -41.578 42.998 -2.266 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -40.154 41.976 -2.267 1.00 0.00 H new ATOM 728 N LYS A 47 -39.422 44.187 2.153 1.00 0.00 N ATOM 729 CA LYS A 47 -39.605 44.886 3.420 1.00 0.00 C ATOM 730 C LYS A 47 -38.662 46.080 3.524 1.00 0.00 C ATOM 731 O LYS A 47 -39.086 47.194 3.833 1.00 0.00 O ATOM 732 CB LYS A 47 -39.367 43.931 4.592 1.00 0.00 C ATOM 733 CG LYS A 47 -39.158 44.638 5.920 1.00 0.00 C ATOM 734 CD LYS A 47 -37.683 44.869 6.203 1.00 0.00 C ATOM 735 CE LYS A 47 -37.396 46.331 6.508 1.00 0.00 C ATOM 736 NZ LYS A 47 -37.376 46.598 7.973 1.00 0.00 N ATOM 0 H LYS A 47 -38.754 43.417 2.189 1.00 0.00 H new ATOM 0 HA LYS A 47 -40.631 45.251 3.460 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -40.219 43.257 4.679 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -38.494 43.315 4.376 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -39.682 45.594 5.911 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -39.595 44.043 6.722 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -37.372 44.253 7.047 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -37.093 44.553 5.343 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -36.436 46.611 6.075 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -38.153 46.956 6.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -37.177 47.605 8.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -38.300 46.355 8.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -36.636 46.020 8.421 1.00 0.00 H new