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+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 90:sc= 1.21 USER MOD Single : A 14 LYS NZ :NH3+ 175:sc= 0.183 (180deg=0.176) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.67 K(o=-0.67,f=-2.4!) 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+ -118:sc=-5.38e-05 (180deg=-0.0152) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 173:sc= 0.427 (180deg=0.265) USER MOD ----------------------------------------------------------------- ATOM 125 N ASP A 9 -12.653 -2.729 -5.786 1.00 0.00 N ATOM 126 CA ASP A 9 -13.724 -2.188 -4.957 1.00 0.00 C ATOM 127 C ASP A 9 -13.419 -0.751 -4.544 1.00 0.00 C ATOM 128 O ASP A 9 -14.328 0.048 -4.318 1.00 0.00 O ATOM 129 CB ASP A 9 -13.924 -3.057 -3.714 1.00 0.00 C ATOM 130 CG ASP A 9 -14.706 -4.321 -4.012 1.00 0.00 C ATOM 131 OD1 ASP A 9 -15.905 -4.212 -4.345 1.00 0.00 O ATOM 132 OD2 ASP A 9 -14.120 -5.419 -3.911 1.00 0.00 O ATOM 0 HA ASP A 9 -14.642 -2.191 -5.545 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -12.951 -3.324 -3.300 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -14.448 -2.480 -2.951 1.00 0.00 H new ATOM 137 N LYS A 10 -12.133 -0.429 -4.448 1.00 0.00 N ATOM 138 CA LYS A 10 -11.706 0.911 -4.063 1.00 0.00 C ATOM 139 C LYS A 10 -11.855 1.885 -5.227 1.00 0.00 C ATOM 140 O LYS A 10 -12.454 2.951 -5.084 1.00 0.00 O ATOM 141 CB LYS A 10 -10.253 0.888 -3.585 1.00 0.00 C ATOM 142 CG LYS A 10 -10.102 1.074 -2.085 1.00 0.00 C ATOM 143 CD LYS A 10 -10.466 2.487 -1.660 1.00 0.00 C ATOM 144 CE LYS A 10 -10.938 2.529 -0.214 1.00 0.00 C ATOM 145 NZ LYS A 10 -12.316 3.080 -0.097 1.00 0.00 N ATOM 0 H LYS A 10 -11.368 -1.078 -4.632 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.345 1.248 -3.247 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.800 -0.061 -3.872 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.698 1.674 -4.098 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.739 0.360 -1.563 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.075 0.858 -1.792 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.601 3.139 -1.781 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.250 2.874 -2.311 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.912 1.524 0.206 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.252 3.138 0.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.601 3.092 0.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.336 4.049 -0.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.975 2.484 -0.638 1.00 0.00 H new ATOM 159 N ILE A 11 -11.308 1.511 -6.379 1.00 0.00 N ATOM 160 CA ILE A 11 -11.382 2.351 -7.568 1.00 0.00 C ATOM 161 C ILE A 11 -12.819 2.475 -8.063 1.00 0.00 C ATOM 162 O ILE A 11 -13.237 3.535 -8.530 1.00 0.00 O ATOM 163 CB ILE A 11 -10.505 1.795 -8.705 1.00 0.00 C ATOM 164 CG1 ILE A 11 -10.903 0.354 -9.029 1.00 0.00 C ATOM 165 CG2 ILE A 11 -9.034 1.871 -8.324 1.00 0.00 C ATOM 166 CD1 ILE A 11 -11.986 0.248 -10.079 1.00 0.00 C ATOM 0 H ILE A 11 -10.809 0.632 -6.514 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.012 3.336 -7.283 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.662 2.404 -9.596 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.022 -0.189 -9.371 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -11.244 -0.134 -8.116 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.426 1.474 -9.137 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.759 2.909 -8.139 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.861 1.284 -7.422 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -12.218 -0.802 -10.258 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.882 0.763 -9.731 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.641 0.707 -11.006 1.00 0.00 H new ATOM 178 N LYS A 12 -13.572 1.385 -7.958 1.00 0.00 N ATOM 179 CA LYS A 12 -14.964 1.372 -8.393 1.00 0.00 C ATOM 180 C LYS A 12 -15.839 2.180 -7.440 1.00 0.00 C ATOM 181 O LYS A 12 -16.878 2.710 -7.835 1.00 0.00 O ATOM 182 CB LYS A 12 -15.479 -0.067 -8.478 1.00 0.00 C ATOM 183 CG LYS A 12 -16.977 -0.164 -8.706 1.00 0.00 C ATOM 184 CD LYS A 12 -17.706 -0.599 -7.445 1.00 0.00 C ATOM 185 CE LYS A 12 -18.800 0.387 -7.066 1.00 0.00 C ATOM 186 NZ LYS A 12 -19.887 -0.264 -6.283 1.00 0.00 N ATOM 0 H LYS A 12 -13.242 0.499 -7.575 1.00 0.00 H new ATOM 0 HA LYS A 12 -15.015 1.829 -9.381 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -14.963 -0.582 -9.288 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -15.226 -0.590 -7.556 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -17.359 0.803 -9.033 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.179 -0.875 -9.508 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -18.142 -1.587 -7.597 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -16.994 -0.688 -6.624 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -18.369 1.201 -6.482 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -19.219 0.830 -7.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -20.613 0.441 -6.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -20.315 -1.024 -6.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -19.493 -0.665 -5.408 1.00 0.00 H new ATOM 200 N SER A 13 -15.411 2.272 -6.185 1.00 0.00 N ATOM 201 CA SER A 13 -16.158 3.015 -5.176 1.00 0.00 C ATOM 202 C SER A 13 -15.697 4.468 -5.119 1.00 0.00 C ATOM 203 O SER A 13 -16.447 5.354 -4.710 1.00 0.00 O ATOM 204 CB SER A 13 -15.990 2.361 -3.803 1.00 0.00 C ATOM 205 OG SER A 13 -16.663 1.115 -3.746 1.00 0.00 O ATOM 0 H SER A 13 -14.552 1.842 -5.843 1.00 0.00 H new ATOM 0 HA SER A 13 -17.212 2.997 -5.453 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.930 2.215 -3.593 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.380 3.024 -3.031 1.00 0.00 H new ATOM 0 HG SER A 13 -16.053 0.401 -4.026 1.00 0.00 H new ATOM 211 N LYS A 14 -14.457 4.705 -5.533 1.00 0.00 N ATOM 212 CA LYS A 14 -13.893 6.050 -5.532 1.00 0.00 C ATOM 213 C LYS A 14 -14.683 6.972 -6.456 1.00 0.00 C ATOM 214 O LYS A 14 -15.363 7.891 -5.998 1.00 0.00 O ATOM 215 CB LYS A 14 -12.426 6.011 -5.965 1.00 0.00 C ATOM 216 CG LYS A 14 -11.577 7.103 -5.336 1.00 0.00 C ATOM 217 CD LYS A 14 -12.182 8.479 -5.562 1.00 0.00 C ATOM 218 CE LYS A 14 -12.264 8.815 -7.043 1.00 0.00 C ATOM 219 NZ LYS A 14 -11.384 9.963 -7.401 1.00 0.00 N ATOM 0 H LYS A 14 -13.823 3.983 -5.874 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.955 6.442 -4.517 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -12.005 5.040 -5.705 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.374 6.101 -7.050 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.479 6.919 -4.266 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.572 7.072 -5.758 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.179 8.516 -5.124 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.581 9.231 -5.050 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.979 7.942 -7.630 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.295 9.052 -7.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.403 10.107 -8.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.724 10.823 -6.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.410 9.762 -7.097 1.00 0.00 H new ATOM 233 N ILE A 15 -14.589 6.719 -7.757 1.00 0.00 N ATOM 234 CA ILE A 15 -15.297 7.525 -8.744 1.00 0.00 C ATOM 235 C ILE A 15 -16.800 7.509 -8.491 1.00 0.00 C ATOM 236 O ILE A 15 -17.471 8.536 -8.605 1.00 0.00 O ATOM 237 CB ILE A 15 -15.024 7.028 -10.176 1.00 0.00 C ATOM 238 CG1 ILE A 15 -13.521 6.843 -10.397 1.00 0.00 C ATOM 239 CG2 ILE A 15 -15.598 8.003 -11.193 1.00 0.00 C ATOM 240 CD1 ILE A 15 -13.124 5.410 -10.675 1.00 0.00 C ATOM 0 H ILE A 15 -14.030 5.963 -8.152 1.00 0.00 H new ATOM 0 HA ILE A 15 -14.925 8.545 -8.644 1.00 0.00 H new ATOM 0 HB ILE A 15 -15.513 6.063 -10.310 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -13.205 7.468 -11.232 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.986 7.195 -9.515 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -15.397 7.638 -12.200 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -16.675 8.090 -11.046 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -15.134 8.981 -11.062 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -12.045 5.353 -10.822 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -13.409 4.783 -9.830 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.631 5.060 -11.574 1.00 0.00 H new ATOM 252 N LEU A 16 -17.324 6.339 -8.144 1.00 0.00 N ATOM 253 CA LEU A 16 -18.749 6.189 -7.872 1.00 0.00 C ATOM 254 C LEU A 16 -19.177 7.075 -6.706 1.00 0.00 C ATOM 255 O LEU A 16 -20.048 7.933 -6.853 1.00 0.00 O ATOM 256 CB LEU A 16 -19.079 4.727 -7.564 1.00 0.00 C ATOM 257 CG LEU A 16 -20.564 4.362 -7.553 1.00 0.00 C ATOM 258 CD1 LEU A 16 -21.184 4.607 -8.920 1.00 0.00 C ATOM 259 CD2 LEU A 16 -20.753 2.912 -7.133 1.00 0.00 C ATOM 0 H LEU A 16 -16.783 5.480 -8.044 1.00 0.00 H new ATOM 0 HA LEU A 16 -19.298 6.499 -8.761 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.577 4.099 -8.300 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -18.657 4.477 -6.591 1.00 0.00 H new ATOM 0 HG LEU A 16 -21.070 4.999 -6.828 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -22.241 4.342 -8.893 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -21.081 5.660 -9.183 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -20.675 3.995 -9.665 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -21.816 2.669 -7.131 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -20.233 2.259 -7.834 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -20.346 2.767 -6.132 1.00 0.00 H new ATOM 271 N ASP A 17 -18.558 6.862 -5.550 1.00 0.00 N ATOM 272 CA ASP A 17 -18.872 7.644 -4.360 1.00 0.00 C ATOM 273 C ASP A 17 -18.547 9.118 -4.577 1.00 0.00 C ATOM 274 O ASP A 17 -19.270 9.998 -4.109 1.00 0.00 O ATOM 275 CB ASP A 17 -18.097 7.110 -3.154 1.00 0.00 C ATOM 276 CG ASP A 17 -18.696 7.559 -1.836 1.00 0.00 C ATOM 277 OD1 ASP A 17 -19.934 7.494 -1.695 1.00 0.00 O ATOM 278 OD2 ASP A 17 -17.925 7.975 -0.945 1.00 0.00 O ATOM 0 H ASP A 17 -17.836 6.155 -5.412 1.00 0.00 H new ATOM 0 HA ASP A 17 -19.941 7.551 -4.166 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.080 6.021 -3.190 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -17.062 7.447 -3.213 1.00 0.00 H new ATOM 283 N ASP A 18 -17.456 9.380 -5.287 1.00 0.00 N ATOM 284 CA ASP A 18 -17.035 10.749 -5.565 1.00 0.00 C ATOM 285 C ASP A 18 -18.070 11.472 -6.422 1.00 0.00 C ATOM 286 O ASP A 18 -18.587 12.519 -6.035 1.00 0.00 O ATOM 287 CB ASP A 18 -15.678 10.754 -6.271 1.00 0.00 C ATOM 288 CG ASP A 18 -14.522 10.597 -5.302 1.00 0.00 C ATOM 289 OD1 ASP A 18 -14.718 9.970 -4.241 1.00 0.00 O ATOM 290 OD2 ASP A 18 -13.420 11.103 -5.606 1.00 0.00 O ATOM 0 H ASP A 18 -16.847 8.663 -5.681 1.00 0.00 H new ATOM 0 HA ASP A 18 -16.944 11.275 -4.615 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -15.649 9.946 -7.002 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -15.562 11.687 -6.823 1.00 0.00 H new ATOM 295 N ALA A 19 -18.365 10.906 -7.587 1.00 0.00 N ATOM 296 CA ALA A 19 -19.339 11.495 -8.498 1.00 0.00 C ATOM 297 C ALA A 19 -20.688 11.682 -7.813 1.00 0.00 C ATOM 298 O ALA A 19 -21.327 12.726 -7.951 1.00 0.00 O ATOM 299 CB ALA A 19 -19.491 10.631 -9.740 1.00 0.00 C ATOM 0 H ALA A 19 -17.943 10.040 -7.923 1.00 0.00 H new ATOM 0 HA ALA A 19 -18.973 12.477 -8.796 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -20.221 11.083 -10.411 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -18.530 10.553 -10.249 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -19.830 9.636 -9.452 1.00 0.00 H new ATOM 305 N LYS A 20 -21.118 10.665 -7.074 1.00 0.00 N ATOM 306 CA LYS A 20 -22.391 10.716 -6.366 1.00 0.00 C ATOM 307 C LYS A 20 -22.362 11.775 -5.269 1.00 0.00 C ATOM 308 O LYS A 20 -23.338 12.494 -5.060 1.00 0.00 O ATOM 309 CB LYS A 20 -22.718 9.349 -5.762 1.00 0.00 C ATOM 310 CG LYS A 20 -23.671 8.522 -6.608 1.00 0.00 C ATOM 311 CD LYS A 20 -22.943 7.403 -7.335 1.00 0.00 C ATOM 312 CE LYS A 20 -22.331 7.890 -8.639 1.00 0.00 C ATOM 313 NZ LYS A 20 -23.213 7.609 -9.805 1.00 0.00 N ATOM 0 H LYS A 20 -20.602 9.794 -6.950 1.00 0.00 H new ATOM 0 HA LYS A 20 -23.166 10.983 -7.084 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -21.792 8.792 -5.623 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -23.155 9.493 -4.774 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -24.449 8.099 -5.973 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -24.167 9.166 -7.334 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -22.160 7.000 -6.693 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -23.638 6.589 -7.540 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -22.145 8.962 -8.575 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -21.365 7.407 -8.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -22.760 7.956 -10.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -23.370 6.584 -9.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -24.126 8.090 -9.674 1.00 0.00 H new ATOM 327 N ALA A 21 -21.235 11.865 -4.570 1.00 0.00 N ATOM 328 CA ALA A 21 -21.077 12.838 -3.497 1.00 0.00 C ATOM 329 C ALA A 21 -21.104 14.263 -4.039 1.00 0.00 C ATOM 330 O ALA A 21 -21.869 15.102 -3.565 1.00 0.00 O ATOM 331 CB ALA A 21 -19.782 12.584 -2.739 1.00 0.00 C ATOM 0 H ALA A 21 -20.418 11.275 -4.728 1.00 0.00 H new ATOM 0 HA ALA A 21 -21.915 12.723 -2.810 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -19.678 13.319 -1.941 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -19.802 11.582 -2.310 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -18.937 12.669 -3.423 1.00 0.00 H new ATOM 337 N GLU A 22 -20.263 14.529 -5.034 1.00 0.00 N ATOM 338 CA GLU A 22 -20.191 15.853 -5.639 1.00 0.00 C ATOM 339 C GLU A 22 -21.569 16.316 -6.104 1.00 0.00 C ATOM 340 O GLU A 22 -21.928 17.483 -5.952 1.00 0.00 O ATOM 341 CB GLU A 22 -19.218 15.847 -6.820 1.00 0.00 C ATOM 342 CG GLU A 22 -18.205 16.978 -6.781 1.00 0.00 C ATOM 343 CD GLU A 22 -17.001 16.714 -7.664 1.00 0.00 C ATOM 344 OE1 GLU A 22 -16.989 15.675 -8.356 1.00 0.00 O ATOM 345 OE2 GLU A 22 -16.071 17.548 -7.662 1.00 0.00 O ATOM 0 H GLU A 22 -19.623 13.845 -5.437 1.00 0.00 H new ATOM 0 HA GLU A 22 -19.829 16.549 -4.883 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.687 14.895 -6.837 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -19.786 15.912 -7.748 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -18.687 17.903 -7.097 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -17.872 17.127 -5.754 1.00 0.00 H new ATOM 352 N ALA A 23 -22.337 15.390 -6.670 1.00 0.00 N ATOM 353 CA ALA A 23 -23.676 15.702 -7.156 1.00 0.00 C ATOM 354 C ALA A 23 -24.682 15.731 -6.010 1.00 0.00 C ATOM 355 O ALA A 23 -25.758 16.314 -6.132 1.00 0.00 O ATOM 356 CB ALA A 23 -24.102 14.692 -8.211 1.00 0.00 C ATOM 0 H ALA A 23 -22.055 14.419 -6.803 1.00 0.00 H new ATOM 0 HA ALA A 23 -23.651 16.694 -7.608 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -25.103 14.936 -8.565 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -23.404 14.723 -9.047 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -24.105 13.692 -7.777 1.00 0.00 H new ATOM 362 N ASN A 24 -24.325 15.096 -4.898 1.00 0.00 N ATOM 363 CA ASN A 24 -25.198 15.049 -3.731 1.00 0.00 C ATOM 364 C ASN A 24 -25.035 16.303 -2.879 1.00 0.00 C ATOM 365 O ASN A 24 -25.960 16.717 -2.179 1.00 0.00 O ATOM 366 CB ASN A 24 -24.895 13.805 -2.893 1.00 0.00 C ATOM 367 CG ASN A 24 -25.675 12.591 -3.357 1.00 0.00 C ATOM 368 OD1 ASN A 24 -26.743 12.717 -3.957 1.00 0.00 O ATOM 369 ND2 ASN A 24 -25.143 11.405 -3.081 1.00 0.00 N ATOM 0 H ASN A 24 -23.437 14.607 -4.781 1.00 0.00 H new ATOM 0 HA ASN A 24 -26.229 15.001 -4.080 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -23.828 13.588 -2.942 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -25.131 14.008 -1.848 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -25.622 10.552 -3.369 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -24.256 11.348 -2.581 1.00 0.00 H new ATOM 376 N LYS A 25 -23.853 16.906 -2.942 1.00 0.00 N ATOM 377 CA LYS A 25 -23.567 18.115 -2.178 1.00 0.00 C ATOM 378 C LYS A 25 -23.918 19.362 -2.983 1.00 0.00 C ATOM 379 O LYS A 25 -24.102 20.443 -2.422 1.00 0.00 O ATOM 380 CB LYS A 25 -22.091 18.152 -1.776 1.00 0.00 C ATOM 381 CG LYS A 25 -21.667 16.979 -0.910 1.00 0.00 C ATOM 382 CD LYS A 25 -22.524 16.870 0.340 1.00 0.00 C ATOM 383 CE LYS A 25 -21.677 16.590 1.573 1.00 0.00 C ATOM 384 NZ LYS A 25 -21.095 15.220 1.546 1.00 0.00 N ATOM 0 H LYS A 25 -23.076 16.577 -3.515 1.00 0.00 H new ATOM 0 HA LYS A 25 -24.181 18.100 -1.278 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -21.478 18.168 -2.677 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -21.892 19.080 -1.239 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -21.741 16.056 -1.485 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -20.621 17.095 -0.626 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -23.081 17.796 0.482 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -23.257 16.073 0.212 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -20.874 17.325 1.637 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -22.288 16.707 2.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -20.525 15.068 2.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -21.861 14.518 1.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -20.491 15.116 0.706 1.00 0.00 H new ATOM 398 N ILE A 26 -24.008 19.205 -4.299 1.00 0.00 N ATOM 399 CA ILE A 26 -24.339 20.319 -5.180 1.00 0.00 C ATOM 400 C ILE A 26 -25.849 20.502 -5.292 1.00 0.00 C ATOM 401 O ILE A 26 -26.333 21.605 -5.544 1.00 0.00 O ATOM 402 CB ILE A 26 -23.752 20.116 -6.589 1.00 0.00 C ATOM 403 CG1 ILE A 26 -23.654 21.455 -7.323 1.00 0.00 C ATOM 404 CG2 ILE A 26 -24.603 19.133 -7.381 1.00 0.00 C ATOM 405 CD1 ILE A 26 -22.663 22.414 -6.701 1.00 0.00 C ATOM 0 H ILE A 26 -23.857 18.318 -4.779 1.00 0.00 H new ATOM 0 HA ILE A 26 -23.899 21.213 -4.737 1.00 0.00 H new ATOM 0 HB ILE A 26 -22.748 19.702 -6.492 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -23.369 21.272 -8.359 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -24.638 21.923 -7.341 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -24.175 19.000 -8.375 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -24.626 18.173 -6.864 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -25.618 19.521 -7.472 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -22.646 23.342 -7.273 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -22.958 22.627 -5.674 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -21.670 21.966 -6.708 1.00 0.00 H new ATOM 417 N ILE A 27 -26.587 19.414 -5.100 1.00 0.00 N ATOM 418 CA ILE A 27 -28.042 19.455 -5.176 1.00 0.00 C ATOM 419 C ILE A 27 -28.644 20.012 -3.891 1.00 0.00 C ATOM 420 O ILE A 27 -29.687 20.667 -3.914 1.00 0.00 O ATOM 421 CB ILE A 27 -28.632 18.057 -5.442 1.00 0.00 C ATOM 422 CG1 ILE A 27 -28.136 17.062 -4.391 1.00 0.00 C ATOM 423 CG2 ILE A 27 -28.264 17.585 -6.841 1.00 0.00 C ATOM 424 CD1 ILE A 27 -29.233 16.539 -3.490 1.00 0.00 C ATOM 0 H ILE A 27 -26.201 18.493 -4.891 1.00 0.00 H new ATOM 0 HA ILE A 27 -28.296 20.112 -6.008 1.00 0.00 H new ATOM 0 HB ILE A 27 -29.718 18.118 -5.374 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -27.659 16.221 -4.895 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -27.372 17.542 -3.779 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -28.688 16.596 -7.014 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -28.661 18.284 -7.577 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -27.179 17.536 -6.935 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -28.809 15.839 -2.770 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -29.695 17.371 -2.959 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -29.986 16.030 -4.091 1.00 0.00 H new ATOM 436 N SER A 28 -27.980 19.750 -2.770 1.00 0.00 N ATOM 437 CA SER A 28 -28.450 20.224 -1.474 1.00 0.00 C ATOM 438 C SER A 28 -27.986 21.654 -1.217 1.00 0.00 C ATOM 439 O SER A 28 -28.789 22.530 -0.896 1.00 0.00 O ATOM 440 CB SER A 28 -27.948 19.305 -0.358 1.00 0.00 C ATOM 441 OG SER A 28 -29.019 18.591 0.236 1.00 0.00 O ATOM 0 H SER A 28 -27.114 19.212 -2.733 1.00 0.00 H new ATOM 0 HA SER A 28 -29.540 20.210 -1.484 1.00 0.00 H new ATOM 0 HB2 SER A 28 -27.218 18.603 -0.762 1.00 0.00 H new ATOM 0 HB3 SER A 28 -27.436 19.896 0.401 1.00 0.00 H new ATOM 0 HG SER A 28 -28.672 18.010 0.945 1.00 0.00 H new ATOM 447 N GLU A 29 -26.685 21.883 -1.362 1.00 0.00 N ATOM 448 CA GLU A 29 -26.113 23.207 -1.145 1.00 0.00 C ATOM 449 C GLU A 29 -26.759 24.236 -2.069 1.00 0.00 C ATOM 450 O GLU A 29 -26.743 25.434 -1.789 1.00 0.00 O ATOM 451 CB GLU A 29 -24.601 23.178 -1.374 1.00 0.00 C ATOM 452 CG GLU A 29 -23.839 22.408 -0.308 1.00 0.00 C ATOM 453 CD GLU A 29 -22.354 22.315 -0.605 1.00 0.00 C ATOM 454 OE1 GLU A 29 -21.997 21.779 -1.675 1.00 0.00 O ATOM 455 OE2 GLU A 29 -21.551 22.777 0.232 1.00 0.00 O ATOM 0 H GLU A 29 -26.007 21.169 -1.629 1.00 0.00 H new ATOM 0 HA GLU A 29 -26.311 23.496 -0.113 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -24.398 22.732 -2.348 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -24.227 24.201 -1.408 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -23.983 22.893 0.658 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -24.253 21.403 -0.225 1.00 0.00 H new ATOM 462 N ALA A 30 -27.326 23.758 -3.172 1.00 0.00 N ATOM 463 CA ALA A 30 -27.978 24.635 -4.137 1.00 0.00 C ATOM 464 C ALA A 30 -29.416 24.932 -3.724 1.00 0.00 C ATOM 465 O ALA A 30 -29.750 26.065 -3.378 1.00 0.00 O ATOM 466 CB ALA A 30 -27.943 24.012 -5.524 1.00 0.00 C ATOM 0 H ALA A 30 -27.347 22.769 -3.419 1.00 0.00 H new ATOM 0 HA ALA A 30 -27.432 25.578 -4.161 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -28.433 24.678 -6.234 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -26.908 23.857 -5.827 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -28.463 23.054 -5.506 1.00 0.00 H new ATOM 472 N GLU A 31 -30.262 23.908 -3.765 1.00 0.00 N ATOM 473 CA GLU A 31 -31.664 24.061 -3.396 1.00 0.00 C ATOM 474 C GLU A 31 -31.798 24.740 -2.036 1.00 0.00 C ATOM 475 O GLU A 31 -32.776 25.440 -1.774 1.00 0.00 O ATOM 476 CB GLU A 31 -32.360 22.699 -3.369 1.00 0.00 C ATOM 477 CG GLU A 31 -32.212 21.914 -4.662 1.00 0.00 C ATOM 478 CD GLU A 31 -33.497 21.866 -5.465 1.00 0.00 C ATOM 479 OE1 GLU A 31 -34.399 21.085 -5.094 1.00 0.00 O ATOM 480 OE2 GLU A 31 -33.601 22.607 -6.464 1.00 0.00 O ATOM 0 H GLU A 31 -30.001 22.964 -4.050 1.00 0.00 H new ATOM 0 HA GLU A 31 -32.143 24.690 -4.146 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -31.954 22.109 -2.547 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -33.420 22.846 -3.162 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -31.426 22.364 -5.268 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -31.894 20.897 -4.431 1.00 0.00 H new ATOM 487 N ALA A 32 -30.809 24.528 -1.175 1.00 0.00 N ATOM 488 CA ALA A 32 -30.815 25.119 0.157 1.00 0.00 C ATOM 489 C ALA A 32 -30.603 26.628 0.088 1.00 0.00 C ATOM 490 O ALA A 32 -31.523 27.405 0.339 1.00 0.00 O ATOM 491 CB ALA A 32 -29.746 24.473 1.026 1.00 0.00 C ATOM 0 H ALA A 32 -29.993 23.951 -1.376 1.00 0.00 H new ATOM 0 HA ALA A 32 -31.791 24.935 0.605 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -29.762 24.924 2.018 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -29.943 23.404 1.110 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -28.767 24.627 0.573 1.00 0.00 H new ATOM 497 N GLU A 33 -29.384 27.035 -0.252 1.00 0.00 N ATOM 498 CA GLU A 33 -29.052 28.451 -0.352 1.00 0.00 C ATOM 499 C GLU A 33 -30.034 29.177 -1.266 1.00 0.00 C ATOM 500 O GLU A 33 -30.479 30.285 -0.964 1.00 0.00 O ATOM 501 CB GLU A 33 -27.625 28.628 -0.876 1.00 0.00 C ATOM 502 CG GLU A 33 -26.618 28.978 0.207 1.00 0.00 C ATOM 503 CD GLU A 33 -26.571 30.465 0.501 1.00 0.00 C ATOM 504 OE1 GLU A 33 -27.650 31.086 0.594 1.00 0.00 O ATOM 505 OE2 GLU A 33 -25.454 31.007 0.639 1.00 0.00 O ATOM 0 H GLU A 33 -28.611 26.404 -0.463 1.00 0.00 H new ATOM 0 HA GLU A 33 -29.122 28.885 0.646 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -27.311 27.708 -1.369 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -27.619 29.412 -1.633 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -26.870 28.439 1.120 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -25.628 28.641 -0.100 1.00 0.00 H new ATOM 512 N LYS A 34 -30.370 28.545 -2.386 1.00 0.00 N ATOM 513 CA LYS A 34 -31.300 29.128 -3.345 1.00 0.00 C ATOM 514 C LYS A 34 -32.639 29.439 -2.685 1.00 0.00 C ATOM 515 O LYS A 34 -33.055 30.596 -2.618 1.00 0.00 O ATOM 516 CB LYS A 34 -31.510 28.177 -4.526 1.00 0.00 C ATOM 517 CG LYS A 34 -32.644 28.593 -5.447 1.00 0.00 C ATOM 518 CD LYS A 34 -32.903 27.547 -6.519 1.00 0.00 C ATOM 519 CE LYS A 34 -34.085 26.660 -6.158 1.00 0.00 C ATOM 520 NZ LYS A 34 -35.229 26.855 -7.090 1.00 0.00 N ATOM 0 H LYS A 34 -30.011 27.628 -2.652 1.00 0.00 H new ATOM 0 HA LYS A 34 -30.869 30.061 -3.709 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -30.587 28.118 -5.103 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -31.711 27.176 -4.144 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -33.551 28.748 -4.862 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -32.401 29.546 -5.918 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -33.095 28.041 -7.472 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -32.013 26.932 -6.652 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -33.775 25.615 -6.178 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -34.405 26.878 -5.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -36.014 26.233 -6.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -35.542 27.846 -7.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -34.931 26.622 -8.059 1.00 0.00 H new ATOM 534 N ALA A 35 -33.308 28.400 -2.197 1.00 0.00 N ATOM 535 CA ALA A 35 -34.599 28.564 -1.539 1.00 0.00 C ATOM 536 C ALA A 35 -34.490 29.505 -0.344 1.00 0.00 C ATOM 537 O ALA A 35 -35.495 30.022 0.146 1.00 0.00 O ATOM 538 CB ALA A 35 -35.142 27.212 -1.100 1.00 0.00 C ATOM 0 H ALA A 35 -32.978 27.436 -2.245 1.00 0.00 H new ATOM 0 HA ALA A 35 -35.291 29.007 -2.255 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -36.106 27.349 -0.610 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -35.266 26.569 -1.972 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -34.444 26.748 -0.403 1.00 0.00 H new ATOM 544 N LYS A 36 -33.265 29.724 0.121 1.00 0.00 N ATOM 545 CA LYS A 36 -33.024 30.605 1.258 1.00 0.00 C ATOM 546 C LYS A 36 -32.973 32.064 0.816 1.00 0.00 C ATOM 547 O LYS A 36 -33.694 32.909 1.347 1.00 0.00 O ATOM 548 CB LYS A 36 -31.715 30.226 1.955 1.00 0.00 C ATOM 549 CG LYS A 36 -31.636 30.695 3.397 1.00 0.00 C ATOM 550 CD LYS A 36 -30.682 29.837 4.211 1.00 0.00 C ATOM 551 CE LYS A 36 -29.230 30.163 3.894 1.00 0.00 C ATOM 552 NZ LYS A 36 -28.310 29.076 4.328 1.00 0.00 N ATOM 0 H LYS A 36 -32.423 29.303 -0.272 1.00 0.00 H new ATOM 0 HA LYS A 36 -33.850 30.485 1.959 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -31.599 29.143 1.927 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -30.880 30.650 1.397 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -31.307 31.734 3.425 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -32.629 30.663 3.846 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -30.867 29.993 5.274 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -30.873 28.784 4.005 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -29.120 30.325 2.822 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -28.951 31.094 4.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -27.331 29.336 4.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -28.396 28.938 5.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -28.560 28.193 3.838 1.00 0.00 H new ATOM 566 N ILE A 37 -32.117 32.351 -0.159 1.00 0.00 N ATOM 567 CA ILE A 37 -31.975 33.708 -0.674 1.00 0.00 C ATOM 568 C ILE A 37 -33.195 34.116 -1.492 1.00 0.00 C ATOM 569 O ILE A 37 -33.550 35.294 -1.551 1.00 0.00 O ATOM 570 CB ILE A 37 -30.715 33.848 -1.548 1.00 0.00 C ATOM 571 CG1 ILE A 37 -30.704 32.778 -2.642 1.00 0.00 C ATOM 572 CG2 ILE A 37 -29.461 33.749 -0.691 1.00 0.00 C ATOM 573 CD1 ILE A 37 -30.306 33.308 -4.002 1.00 0.00 C ATOM 0 H ILE A 37 -31.512 31.663 -0.608 1.00 0.00 H new ATOM 0 HA ILE A 37 -31.884 34.366 0.190 1.00 0.00 H new ATOM 0 HB ILE A 37 -30.730 34.828 -2.025 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -30.015 31.984 -2.355 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -31.696 32.331 -2.711 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -28.579 33.850 -1.324 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -29.466 34.544 0.054 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -29.439 32.782 -0.189 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -30.320 32.495 -4.728 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -31.009 34.082 -4.311 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -29.302 33.729 -3.949 1.00 0.00 H new ATOM 585 N LEU A 38 -33.835 33.136 -2.120 1.00 0.00 N ATOM 586 CA LEU A 38 -35.018 33.393 -2.933 1.00 0.00 C ATOM 587 C LEU A 38 -36.183 33.863 -2.068 1.00 0.00 C ATOM 588 O LEU A 38 -36.967 34.719 -2.478 1.00 0.00 O ATOM 589 CB LEU A 38 -35.416 32.132 -3.702 1.00 0.00 C ATOM 590 CG LEU A 38 -34.847 31.999 -5.115 1.00 0.00 C ATOM 591 CD1 LEU A 38 -35.380 33.106 -6.011 1.00 0.00 C ATOM 592 CD2 LEU A 38 -33.326 32.022 -5.081 1.00 0.00 C ATOM 0 H LEU A 38 -33.554 32.156 -2.082 1.00 0.00 H new ATOM 0 HA LEU A 38 -34.775 34.184 -3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -35.103 31.263 -3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -36.504 32.097 -3.765 1.00 0.00 H new ATOM 0 HG LEU A 38 -35.166 31.042 -5.527 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -34.964 32.995 -7.013 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -36.467 33.043 -6.060 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -35.091 34.075 -5.603 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -32.938 31.926 -6.095 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -32.986 32.963 -4.650 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -32.963 31.193 -4.474 1.00 0.00 H new ATOM 604 N GLU A 39 -36.287 33.300 -0.868 1.00 0.00 N ATOM 605 CA GLU A 39 -37.355 33.664 0.056 1.00 0.00 C ATOM 606 C GLU A 39 -36.920 34.807 0.968 1.00 0.00 C ATOM 607 O GLU A 39 -37.742 35.602 1.422 1.00 0.00 O ATOM 608 CB GLU A 39 -37.767 32.454 0.897 1.00 0.00 C ATOM 609 CG GLU A 39 -36.733 32.056 1.938 1.00 0.00 C ATOM 610 CD GLU A 39 -37.102 30.780 2.668 1.00 0.00 C ATOM 611 OE1 GLU A 39 -37.529 29.816 1.998 1.00 0.00 O ATOM 612 OE2 GLU A 39 -36.964 30.744 3.908 1.00 0.00 O ATOM 0 H GLU A 39 -35.645 32.591 -0.513 1.00 0.00 H new ATOM 0 HA GLU A 39 -38.211 33.997 -0.532 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -38.709 32.675 1.399 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -37.949 31.607 0.235 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -35.766 31.926 1.453 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -36.621 32.864 2.661 1.00 0.00 H new ATOM 619 N LYS A 40 -35.620 34.882 1.233 1.00 0.00 N ATOM 620 CA LYS A 40 -35.072 35.927 2.090 1.00 0.00 C ATOM 621 C LYS A 40 -34.979 37.252 1.341 1.00 0.00 C ATOM 622 O LYS A 40 -35.382 38.296 1.854 1.00 0.00 O ATOM 623 CB LYS A 40 -33.689 35.521 2.604 1.00 0.00 C ATOM 624 CG LYS A 40 -33.734 34.522 3.747 1.00 0.00 C ATOM 625 CD LYS A 40 -33.461 35.191 5.083 1.00 0.00 C ATOM 626 CE LYS A 40 -31.988 35.115 5.454 1.00 0.00 C ATOM 627 NZ LYS A 40 -31.249 36.340 5.040 1.00 0.00 N ATOM 0 H LYS A 40 -34.926 34.231 0.866 1.00 0.00 H new ATOM 0 HA LYS A 40 -35.744 36.056 2.938 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -33.116 35.093 1.781 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -33.157 36.413 2.933 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -34.712 34.041 3.773 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -32.997 33.737 3.575 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -33.773 36.235 5.039 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -34.058 34.713 5.859 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -31.891 34.979 6.531 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -31.539 34.242 4.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -30.514 36.085 4.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -31.911 37.015 4.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -30.805 36.776 5.873 1.00 0.00 H new ATOM 641 N ALA A 41 -34.447 37.203 0.124 1.00 0.00 N ATOM 642 CA ALA A 41 -34.305 38.399 -0.697 1.00 0.00 C ATOM 643 C ALA A 41 -35.664 38.907 -1.166 1.00 0.00 C ATOM 644 O ALA A 41 -36.004 40.074 -0.967 1.00 0.00 O ATOM 645 CB ALA A 41 -33.404 38.116 -1.890 1.00 0.00 C ATOM 0 H ALA A 41 -34.107 36.347 -0.315 1.00 0.00 H new ATOM 0 HA ALA A 41 -33.847 39.177 -0.086 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -33.307 39.018 -2.495 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -32.420 37.808 -1.538 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -33.839 37.320 -2.494 1.00 0.00 H new ATOM 651 N LYS A 42 -36.437 38.025 -1.791 1.00 0.00 N ATOM 652 CA LYS A 42 -37.759 38.384 -2.288 1.00 0.00 C ATOM 653 C LYS A 42 -38.621 38.967 -1.173 1.00 0.00 C ATOM 654 O LYS A 42 -39.510 39.780 -1.424 1.00 0.00 O ATOM 655 CB LYS A 42 -38.449 37.159 -2.892 1.00 0.00 C ATOM 656 CG LYS A 42 -39.848 37.442 -3.411 1.00 0.00 C ATOM 657 CD LYS A 42 -40.087 36.783 -4.759 1.00 0.00 C ATOM 658 CE LYS A 42 -39.509 37.612 -5.895 1.00 0.00 C ATOM 659 NZ LYS A 42 -39.040 36.759 -7.022 1.00 0.00 N ATOM 0 H LYS A 42 -36.170 37.056 -1.965 1.00 0.00 H new ATOM 0 HA LYS A 42 -37.635 39.142 -3.061 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -37.838 36.775 -3.709 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -38.502 36.374 -2.138 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -40.584 37.080 -2.693 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -39.993 38.519 -3.501 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -39.636 35.791 -4.765 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -41.157 36.647 -4.914 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -40.265 38.309 -6.257 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -38.677 38.210 -5.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -38.653 37.362 -7.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -38.300 36.111 -6.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -39.839 36.207 -7.395 1.00 0.00 H new ATOM 673 N GLU A 43 -38.349 38.549 0.059 1.00 0.00 N ATOM 674 CA GLU A 43 -39.100 39.031 1.212 1.00 0.00 C ATOM 675 C GLU A 43 -38.503 40.332 1.744 1.00 0.00 C ATOM 676 O GLU A 43 -39.157 41.374 1.739 1.00 0.00 O ATOM 677 CB GLU A 43 -39.114 37.974 2.318 1.00 0.00 C ATOM 678 CG GLU A 43 -39.692 38.475 3.631 1.00 0.00 C ATOM 679 CD GLU A 43 -40.337 37.369 4.444 1.00 0.00 C ATOM 680 OE1 GLU A 43 -39.642 36.379 4.754 1.00 0.00 O ATOM 681 OE2 GLU A 43 -41.535 37.494 4.771 1.00 0.00 O ATOM 0 H GLU A 43 -37.615 37.878 0.284 1.00 0.00 H new ATOM 0 HA GLU A 43 -40.124 39.225 0.892 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -39.693 37.114 1.980 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -38.096 37.625 2.489 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -38.900 38.938 4.219 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -40.432 39.249 3.426 1.00 0.00 H new ATOM 688 N GLU A 44 -37.258 40.260 2.204 1.00 0.00 N ATOM 689 CA GLU A 44 -36.574 41.431 2.741 1.00 0.00 C ATOM 690 C GLU A 44 -36.658 42.604 1.768 1.00 0.00 C ATOM 691 O GLU A 44 -36.769 43.758 2.179 1.00 0.00 O ATOM 692 CB GLU A 44 -35.109 41.103 3.036 1.00 0.00 C ATOM 693 CG GLU A 44 -34.254 40.962 1.788 1.00 0.00 C ATOM 694 CD GLU A 44 -32.994 40.154 2.033 1.00 0.00 C ATOM 695 OE1 GLU A 44 -33.032 39.240 2.883 1.00 0.00 O ATOM 696 OE2 GLU A 44 -31.970 40.437 1.376 1.00 0.00 O ATOM 0 H GLU A 44 -36.703 39.404 2.216 1.00 0.00 H new ATOM 0 HA GLU A 44 -37.069 41.715 3.670 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -34.690 41.887 3.667 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -35.061 40.175 3.606 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -34.840 40.485 1.002 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -33.981 41.953 1.425 1.00 0.00 H new ATOM 703 N ALA A 45 -36.604 42.298 0.476 1.00 0.00 N ATOM 704 CA ALA A 45 -36.675 43.325 -0.556 1.00 0.00 C ATOM 705 C ALA A 45 -38.099 43.846 -0.715 1.00 0.00 C ATOM 706 O ALA A 45 -38.315 45.046 -0.880 1.00 0.00 O ATOM 707 CB ALA A 45 -36.159 42.780 -1.880 1.00 0.00 C ATOM 0 H ALA A 45 -36.511 41.347 0.119 1.00 0.00 H new ATOM 0 HA ALA A 45 -36.044 44.158 -0.248 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -36.218 43.558 -2.641 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -35.122 42.464 -1.764 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -36.767 41.928 -2.184 1.00 0.00 H new ATOM 713 N GLU A 46 -39.066 42.936 -0.665 1.00 0.00 N ATOM 714 CA GLU A 46 -40.470 43.305 -0.805 1.00 0.00 C ATOM 715 C GLU A 46 -40.906 44.226 0.331 1.00 0.00 C ATOM 716 O GLU A 46 -41.630 45.198 0.114 1.00 0.00 O ATOM 717 CB GLU A 46 -41.350 42.054 -0.829 1.00 0.00 C ATOM 718 CG GLU A 46 -41.658 41.552 -2.230 1.00 0.00 C ATOM 719 CD GLU A 46 -42.833 42.273 -2.862 1.00 0.00 C ATOM 720 OE1 GLU A 46 -43.724 42.726 -2.114 1.00 0.00 O ATOM 721 OE2 GLU A 46 -42.861 42.384 -4.105 1.00 0.00 O ATOM 0 H GLU A 46 -38.903 41.938 -0.529 1.00 0.00 H new ATOM 0 HA GLU A 46 -40.586 43.839 -1.748 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -40.855 41.261 -0.269 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -42.287 42.269 -0.315 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -40.777 41.679 -2.859 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -41.870 40.484 -2.191 1.00 0.00 H new ATOM 728 N LYS A 47 -40.461 43.912 1.543 1.00 0.00 N ATOM 729 CA LYS A 47 -40.803 44.710 2.714 1.00 0.00 C ATOM 730 C LYS A 47 -39.937 45.963 2.791 1.00 0.00 C ATOM 731 O LYS A 47 -40.446 47.083 2.764 1.00 0.00 O ATOM 732 CB LYS A 47 -40.633 43.880 3.989 1.00 0.00 C ATOM 733 CG LYS A 47 -41.946 43.395 4.578 1.00 0.00 C ATOM 734 CD LYS A 47 -41.982 41.880 4.688 1.00 0.00 C ATOM 735 CE LYS A 47 -40.907 41.364 5.633 1.00 0.00 C ATOM 736 NZ LYS A 47 -41.280 40.054 6.235 1.00 0.00 N ATOM 0 H LYS A 47 -39.862 43.110 1.740 1.00 0.00 H new ATOM 0 HA LYS A 47 -41.845 45.016 2.623 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -40.002 43.018 3.770 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -40.109 44.478 4.735 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -42.088 43.836 5.565 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -42.773 43.735 3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -42.963 41.563 5.043 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -41.843 41.439 3.701 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -39.967 41.260 5.091 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -40.740 42.093 6.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -40.476 39.680 6.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -42.095 40.182 6.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -41.530 39.384 5.480 1.00 0.00 H new