USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 570 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 Set 1.1: A 80 GLN : amide:sc= -3.49 K(o=-4.3,f=-6.2!) USER MOD Set 1.2: A 84 GLN : amide:sc= -0.784 K(o=-4.3,f=-3.5) USER MOD Set 2.1: A 46 GLN : amide:sc= -3.44 K(o=-6,f=-11!) USER MOD Set 2.2: A 48 LYS NZ :NH3+ 160:sc= -2.55 (180deg=-0.211) USER MOD Set 3.1: A 28 HIS : no HD1:sc= -0.0836 K(o=-0.061,f=-1) USER MOD Set 3.2: A 33 TYR OH : rot 41:sc= 0.0222 USER MOD Set 4.1: A 26 CYS SG : rot -103:sc= -0.581! USER MOD Set 4.2: A 53 TYR OH : rot 80:sc= 0.252 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -137:sc= -0.0766 (180deg=-1.29!) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 36 LYS NZ :NH3+ -152:sc= -0.341 (180deg=-1.28!) USER MOD Single : A 37 CYS SG : rot 180:sc= -0.294 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.031) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot -174:sc= -0.717 USER MOD Single : A 52 HIS : no HD1:sc= -0.035 X(o=-0.035,f=-0.035) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 57:sc= 0.0362 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0239 USER MOD Single : A 76 ASN : amide:sc= -6.65! C(o=-6.6!,f=-4.1!) USER MOD Single : A 78 GLN : amide:sc= -0.0642 K(o=-0.064,f=-1.3) USER MOD Single : A 79 LYS NZ :NH3+ 153:sc= -0.122 (180deg=-0.534) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 158 N PRO A 14 6.509 18.414 4.168 1.00 0.00 N ATOM 159 CA PRO A 14 7.386 17.254 4.353 1.00 0.00 C ATOM 160 C PRO A 14 7.634 16.501 3.050 1.00 0.00 C ATOM 161 O PRO A 14 6.824 16.557 2.125 1.00 0.00 O ATOM 162 CB PRO A 14 6.611 16.376 5.338 1.00 0.00 C ATOM 163 CG PRO A 14 5.183 16.755 5.141 1.00 0.00 C ATOM 164 CD PRO A 14 5.188 18.217 4.788 1.00 0.00 C ATOM 0 HA PRO A 14 8.375 17.544 4.707 1.00 0.00 H new ATOM 0 HB2 PRO A 14 6.771 15.317 5.135 1.00 0.00 H new ATOM 0 HB3 PRO A 14 6.930 16.556 6.365 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.728 16.163 4.347 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.603 16.574 6.046 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.380 18.467 4.100 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.061 18.844 5.671 1.00 0.00 H new ATOM 172 N LYS A 15 8.758 15.796 2.984 1.00 0.00 N ATOM 173 CA LYS A 15 9.113 15.030 1.795 1.00 0.00 C ATOM 174 C LYS A 15 8.854 13.542 2.010 1.00 0.00 C ATOM 175 O LYS A 15 9.119 12.989 3.078 1.00 0.00 O ATOM 176 CB LYS A 15 10.583 15.256 1.437 1.00 0.00 C ATOM 177 CG LYS A 15 10.980 14.668 0.094 1.00 0.00 C ATOM 178 CD LYS A 15 12.488 14.673 -0.093 1.00 0.00 C ATOM 179 CE LYS A 15 12.866 14.754 -1.564 1.00 0.00 C ATOM 180 NZ LYS A 15 14.294 14.398 -1.790 1.00 0.00 N ATOM 0 H LYS A 15 9.440 15.739 3.741 1.00 0.00 H new ATOM 0 HA LYS A 15 8.488 15.375 0.971 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.786 16.327 1.429 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.209 14.819 2.215 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.606 13.647 0.018 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.511 15.239 -0.707 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.919 15.519 0.442 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.913 13.769 0.344 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.229 14.083 -2.140 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.681 15.763 -1.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.512 14.465 -2.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 14.903 15.054 -1.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 14.465 13.426 -1.463 1.00 0.00 H new ATOM 194 N PRO A 16 8.326 12.876 0.973 1.00 0.00 N ATOM 195 CA PRO A 16 8.023 11.443 1.023 1.00 0.00 C ATOM 196 C PRO A 16 9.283 10.584 1.059 1.00 0.00 C ATOM 197 O PRO A 16 10.379 11.059 0.761 1.00 0.00 O ATOM 198 CB PRO A 16 7.246 11.199 -0.273 1.00 0.00 C ATOM 199 CG PRO A 16 7.702 12.275 -1.196 1.00 0.00 C ATOM 200 CD PRO A 16 7.985 13.471 -0.331 1.00 0.00 C ATOM 0 HA PRO A 16 7.471 11.175 1.924 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.458 10.211 -0.682 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.170 11.251 -0.105 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.594 11.968 -1.742 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.937 12.503 -1.938 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.806 14.068 -0.727 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.119 14.129 -0.258 1.00 0.00 H new ATOM 208 N LYS A 17 9.119 9.317 1.425 1.00 0.00 N ATOM 209 CA LYS A 17 10.243 8.391 1.498 1.00 0.00 C ATOM 210 C LYS A 17 10.231 7.427 0.316 1.00 0.00 C ATOM 211 O LYS A 17 11.264 7.182 -0.308 1.00 0.00 O ATOM 212 CB LYS A 17 10.198 7.605 2.811 1.00 0.00 C ATOM 213 CG LYS A 17 10.411 8.467 4.043 1.00 0.00 C ATOM 214 CD LYS A 17 10.282 7.654 5.321 1.00 0.00 C ATOM 215 CE LYS A 17 11.592 6.969 5.680 1.00 0.00 C ATOM 216 NZ LYS A 17 11.728 5.647 5.009 1.00 0.00 N ATOM 0 H LYS A 17 8.219 8.908 1.676 1.00 0.00 H new ATOM 0 HA LYS A 17 11.164 8.973 1.461 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.234 7.103 2.891 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.961 6.827 2.786 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.399 8.926 4.001 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.683 9.278 4.051 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.975 8.306 6.139 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.500 6.905 5.200 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.427 7.609 5.394 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.648 6.836 6.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 12.101 4.951 5.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.797 5.333 4.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 12.381 5.732 4.204 1.00 0.00 H new ATOM 230 N PHE A 18 9.057 6.885 0.012 1.00 0.00 N ATOM 231 CA PHE A 18 8.911 5.949 -1.097 1.00 0.00 C ATOM 232 C PHE A 18 8.699 6.692 -2.412 1.00 0.00 C ATOM 233 O PHE A 18 8.334 7.867 -2.420 1.00 0.00 O ATOM 234 CB PHE A 18 7.740 4.999 -0.839 1.00 0.00 C ATOM 235 CG PHE A 18 7.770 4.365 0.522 1.00 0.00 C ATOM 236 CD1 PHE A 18 7.287 5.045 1.629 1.00 0.00 C ATOM 237 CD2 PHE A 18 8.281 3.089 0.695 1.00 0.00 C ATOM 238 CE1 PHE A 18 7.315 4.464 2.882 1.00 0.00 C ATOM 239 CE2 PHE A 18 8.311 2.502 1.946 1.00 0.00 C ATOM 240 CZ PHE A 18 7.826 3.190 3.041 1.00 0.00 C ATOM 0 H PHE A 18 8.192 7.078 0.518 1.00 0.00 H new ATOM 0 HA PHE A 18 9.830 5.368 -1.173 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.805 5.548 -0.955 1.00 0.00 H new ATOM 0 HB3 PHE A 18 7.745 4.215 -1.596 1.00 0.00 H new ATOM 0 HD1 PHE A 18 6.884 6.040 1.511 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.661 2.546 -0.158 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.938 5.005 3.737 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.713 1.507 2.067 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.846 2.733 4.019 1.00 0.00 H new ATOM 250 N GLN A 19 8.930 5.997 -3.522 1.00 0.00 N ATOM 251 CA GLN A 19 8.765 6.592 -4.843 1.00 0.00 C ATOM 252 C GLN A 19 7.716 5.836 -5.652 1.00 0.00 C ATOM 253 O GLN A 19 7.396 4.687 -5.351 1.00 0.00 O ATOM 254 CB GLN A 19 10.098 6.598 -5.593 1.00 0.00 C ATOM 255 CG GLN A 19 10.491 5.238 -6.147 1.00 0.00 C ATOM 256 CD GLN A 19 11.751 5.292 -6.988 1.00 0.00 C ATOM 257 OE1 GLN A 19 12.613 6.147 -6.782 1.00 0.00 O ATOM 258 NE2 GLN A 19 11.865 4.377 -7.944 1.00 0.00 N ATOM 0 H GLN A 19 9.232 5.023 -3.532 1.00 0.00 H new ATOM 0 HA GLN A 19 8.426 7.620 -4.712 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.040 7.312 -6.414 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.882 6.948 -4.921 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.640 4.543 -5.321 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.673 4.846 -6.750 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.126 3.687 -8.080 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.691 4.365 -8.542 1.00 0.00 H new ATOM 267 N GLU A 20 7.185 6.490 -6.681 1.00 0.00 N ATOM 268 CA GLU A 20 6.172 5.879 -7.533 1.00 0.00 C ATOM 269 C GLU A 20 6.783 4.792 -8.412 1.00 0.00 C ATOM 270 O GLU A 20 7.711 5.047 -9.178 1.00 0.00 O ATOM 271 CB GLU A 20 5.501 6.941 -8.407 1.00 0.00 C ATOM 272 CG GLU A 20 4.723 7.978 -7.616 1.00 0.00 C ATOM 273 CD GLU A 20 4.674 9.325 -8.310 1.00 0.00 C ATOM 274 OE1 GLU A 20 3.823 9.501 -9.207 1.00 0.00 O ATOM 275 OE2 GLU A 20 5.487 10.205 -7.956 1.00 0.00 O ATOM 0 H GLU A 20 7.440 7.442 -6.944 1.00 0.00 H new ATOM 0 HA GLU A 20 5.421 5.421 -6.889 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.263 7.446 -9.000 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.826 6.449 -9.108 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.706 7.619 -7.455 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.179 8.096 -6.633 1.00 0.00 H new ATOM 282 N GLY A 21 6.255 3.577 -8.295 1.00 0.00 N ATOM 283 CA GLY A 21 6.761 2.469 -9.084 1.00 0.00 C ATOM 284 C GLY A 21 7.481 1.437 -8.239 1.00 0.00 C ATOM 285 O GLY A 21 7.613 0.281 -8.639 1.00 0.00 O ATOM 0 H GLY A 21 5.486 3.341 -7.668 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.933 1.992 -9.607 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.442 2.850 -9.845 1.00 0.00 H new ATOM 289 N GLU A 22 7.949 1.856 -7.067 1.00 0.00 N ATOM 290 CA GLU A 22 8.662 0.959 -6.166 1.00 0.00 C ATOM 291 C GLU A 22 7.685 0.090 -5.378 1.00 0.00 C ATOM 292 O GLU A 22 6.672 0.576 -4.876 1.00 0.00 O ATOM 293 CB GLU A 22 9.540 1.760 -5.202 1.00 0.00 C ATOM 294 CG GLU A 22 10.466 0.897 -4.362 1.00 0.00 C ATOM 295 CD GLU A 22 11.681 0.420 -5.134 1.00 0.00 C ATOM 296 OE1 GLU A 22 12.147 1.164 -6.022 1.00 0.00 O ATOM 297 OE2 GLU A 22 12.164 -0.696 -4.851 1.00 0.00 O ATOM 0 H GLU A 22 7.847 2.810 -6.720 1.00 0.00 H new ATOM 0 HA GLU A 22 9.296 0.309 -6.769 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.138 2.470 -5.773 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.900 2.343 -4.540 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.794 1.464 -3.491 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.914 0.033 -3.991 1.00 0.00 H new ATOM 304 N ARG A 23 7.998 -1.197 -5.275 1.00 0.00 N ATOM 305 CA ARG A 23 7.148 -2.135 -4.551 1.00 0.00 C ATOM 306 C ARG A 23 7.055 -1.756 -3.076 1.00 0.00 C ATOM 307 O ARG A 23 8.009 -1.238 -2.495 1.00 0.00 O ATOM 308 CB ARG A 23 7.689 -3.559 -4.690 1.00 0.00 C ATOM 309 CG ARG A 23 6.884 -4.594 -3.922 1.00 0.00 C ATOM 310 CD ARG A 23 5.594 -4.946 -4.646 1.00 0.00 C ATOM 311 NE ARG A 23 5.772 -6.063 -5.569 1.00 0.00 N ATOM 312 CZ ARG A 23 4.858 -6.434 -6.459 1.00 0.00 C ATOM 313 NH1 ARG A 23 3.709 -5.778 -6.547 1.00 0.00 N ATOM 314 NH2 ARG A 23 5.094 -7.462 -7.265 1.00 0.00 N ATOM 0 H ARG A 23 8.834 -1.615 -5.684 1.00 0.00 H new ATOM 0 HA ARG A 23 6.149 -2.090 -4.984 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.703 -3.832 -5.745 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.721 -3.582 -4.341 1.00 0.00 H new ATOM 0 HG2 ARG A 23 7.483 -5.494 -3.785 1.00 0.00 H new ATOM 0 HG3 ARG A 23 6.652 -4.212 -2.928 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.826 -5.198 -3.915 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.237 -4.075 -5.196 1.00 0.00 H new ATOM 0 HE ARG A 23 6.646 -6.587 -5.528 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.525 -4.986 -5.931 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.009 -6.065 -7.231 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.978 -7.968 -7.201 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.392 -7.746 -7.948 1.00 0.00 H new ATOM 328 N VAL A 24 5.899 -2.017 -2.475 1.00 0.00 N ATOM 329 CA VAL A 24 5.681 -1.705 -1.067 1.00 0.00 C ATOM 330 C VAL A 24 4.505 -2.496 -0.505 1.00 0.00 C ATOM 331 O VAL A 24 3.647 -2.970 -1.251 1.00 0.00 O ATOM 332 CB VAL A 24 5.420 -0.201 -0.860 1.00 0.00 C ATOM 333 CG1 VAL A 24 6.617 0.617 -1.320 1.00 0.00 C ATOM 334 CG2 VAL A 24 4.158 0.226 -1.594 1.00 0.00 C ATOM 0 H VAL A 24 5.098 -2.444 -2.941 1.00 0.00 H new ATOM 0 HA VAL A 24 6.591 -1.985 -0.536 1.00 0.00 H new ATOM 0 HB VAL A 24 5.273 -0.018 0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.414 1.677 -1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.497 0.329 -0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.799 0.432 -2.379 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.989 1.291 -1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.273 0.030 -2.660 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.307 -0.337 -1.212 1.00 0.00 H new ATOM 344 N LEU A 25 4.471 -2.634 0.816 1.00 0.00 N ATOM 345 CA LEU A 25 3.399 -3.368 1.481 1.00 0.00 C ATOM 346 C LEU A 25 2.448 -2.413 2.195 1.00 0.00 C ATOM 347 O LEU A 25 2.870 -1.600 3.018 1.00 0.00 O ATOM 348 CB LEU A 25 3.983 -4.367 2.481 1.00 0.00 C ATOM 349 CG LEU A 25 4.800 -5.514 1.884 1.00 0.00 C ATOM 350 CD1 LEU A 25 5.616 -6.206 2.964 1.00 0.00 C ATOM 351 CD2 LEU A 25 3.888 -6.510 1.182 1.00 0.00 C ATOM 0 H LEU A 25 5.173 -2.248 1.448 1.00 0.00 H new ATOM 0 HA LEU A 25 2.837 -3.911 0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.616 -3.822 3.181 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.163 -4.794 3.059 1.00 0.00 H new ATOM 0 HG LEU A 25 5.488 -5.099 1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.191 -7.019 2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.297 -5.488 3.422 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.947 -6.607 3.725 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.487 -7.319 0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.176 -6.919 1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.348 -6.006 0.380 1.00 0.00 H new ATOM 363 N CYS A 26 1.162 -2.519 1.877 1.00 0.00 N ATOM 364 CA CYS A 26 0.150 -1.666 2.490 1.00 0.00 C ATOM 365 C CYS A 26 -0.593 -2.411 3.594 1.00 0.00 C ATOM 366 O CYS A 26 -0.841 -3.613 3.488 1.00 0.00 O ATOM 367 CB CYS A 26 -0.840 -1.175 1.434 1.00 0.00 C ATOM 368 SG CYS A 26 -2.439 -0.661 2.103 1.00 0.00 S ATOM 0 H CYS A 26 0.796 -3.187 1.199 1.00 0.00 H new ATOM 0 HA CYS A 26 0.654 -0.807 2.932 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.396 -0.336 0.898 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.002 -1.970 0.706 1.00 0.00 H new ATOM 0 HG CYS A 26 -3.324 -1.584 1.870 1.00 0.00 H new ATOM 374 N PHE A 27 -0.945 -1.691 4.654 1.00 0.00 N ATOM 375 CA PHE A 27 -1.657 -2.285 5.779 1.00 0.00 C ATOM 376 C PHE A 27 -3.167 -2.155 5.597 1.00 0.00 C ATOM 377 O PHE A 27 -3.732 -1.073 5.759 1.00 0.00 O ATOM 378 CB PHE A 27 -1.232 -1.618 7.089 1.00 0.00 C ATOM 379 CG PHE A 27 -0.055 -2.282 7.745 1.00 0.00 C ATOM 380 CD1 PHE A 27 -0.164 -3.564 8.259 1.00 0.00 C ATOM 381 CD2 PHE A 27 1.160 -1.624 7.848 1.00 0.00 C ATOM 382 CE1 PHE A 27 0.917 -4.178 8.864 1.00 0.00 C ATOM 383 CE2 PHE A 27 2.244 -2.233 8.451 1.00 0.00 C ATOM 384 CZ PHE A 27 2.122 -3.511 8.960 1.00 0.00 C ATOM 0 H PHE A 27 -0.749 -0.695 4.757 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.403 -3.344 5.819 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.988 -0.574 6.893 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.074 -1.624 7.781 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.104 -4.090 8.186 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.261 -0.624 7.453 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.819 -5.178 9.261 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.186 -1.710 8.524 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.968 -3.988 9.432 1.00 0.00 H new ATOM 394 N HIS A 28 -3.813 -3.266 5.257 1.00 0.00 N ATOM 395 CA HIS A 28 -5.257 -3.277 5.052 1.00 0.00 C ATOM 396 C HIS A 28 -5.991 -3.527 6.366 1.00 0.00 C ATOM 397 O HIS A 28 -7.147 -3.140 6.526 1.00 0.00 O ATOM 398 CB HIS A 28 -5.640 -4.348 4.029 1.00 0.00 C ATOM 399 CG HIS A 28 -7.029 -4.878 4.208 1.00 0.00 C ATOM 400 ND1 HIS A 28 -7.322 -5.972 4.993 1.00 0.00 N ATOM 401 CD2 HIS A 28 -8.210 -4.455 3.698 1.00 0.00 C ATOM 402 CE1 HIS A 28 -8.622 -6.202 4.957 1.00 0.00 C ATOM 403 NE2 HIS A 28 -9.184 -5.295 4.179 1.00 0.00 N ATOM 0 H HIS A 28 -3.360 -4.169 5.118 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.552 -2.299 4.672 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -5.545 -3.931 3.026 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -4.933 -5.175 4.099 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -8.358 -3.614 3.037 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -9.138 -6.997 5.476 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.180 -5.229 3.969 1.00 0.00 H new ATOM 412 N GLY A 29 -5.310 -4.179 7.304 1.00 0.00 N ATOM 413 CA GLY A 29 -5.913 -4.470 8.591 1.00 0.00 C ATOM 414 C GLY A 29 -5.061 -5.398 9.434 1.00 0.00 C ATOM 415 O GLY A 29 -3.883 -5.139 9.684 1.00 0.00 O ATOM 0 H GLY A 29 -4.352 -4.511 7.195 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.074 -3.538 9.132 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.893 -4.922 8.436 1.00 0.00 H new ATOM 419 N PRO A 30 -5.660 -6.509 9.889 1.00 0.00 N ATOM 420 CA PRO A 30 -4.967 -7.500 10.717 1.00 0.00 C ATOM 421 C PRO A 30 -3.912 -8.273 9.933 1.00 0.00 C ATOM 422 O PRO A 30 -3.254 -9.165 10.471 1.00 0.00 O ATOM 423 CB PRO A 30 -6.092 -8.436 11.166 1.00 0.00 C ATOM 424 CG PRO A 30 -7.138 -8.304 10.113 1.00 0.00 C ATOM 425 CD PRO A 30 -7.061 -6.882 9.630 1.00 0.00 C ATOM 0 HA PRO A 30 -4.426 -7.036 11.542 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.742 -9.465 11.249 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.477 -8.151 12.145 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.960 -9.004 9.296 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.127 -8.527 10.515 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.309 -6.803 8.571 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.755 -6.237 10.169 1.00 0.00 H new ATOM 433 N LEU A 31 -3.753 -7.926 8.661 1.00 0.00 N ATOM 434 CA LEU A 31 -2.776 -8.587 7.803 1.00 0.00 C ATOM 435 C LEU A 31 -2.190 -7.608 6.790 1.00 0.00 C ATOM 436 O LEU A 31 -2.604 -6.450 6.718 1.00 0.00 O ATOM 437 CB LEU A 31 -3.424 -9.766 7.074 1.00 0.00 C ATOM 438 CG LEU A 31 -3.896 -10.922 7.955 1.00 0.00 C ATOM 439 CD1 LEU A 31 -5.096 -11.616 7.328 1.00 0.00 C ATOM 440 CD2 LEU A 31 -2.765 -11.914 8.186 1.00 0.00 C ATOM 0 H LEU A 31 -4.288 -7.190 8.200 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.967 -8.957 8.433 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.279 -9.393 6.510 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.710 -10.156 6.349 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.200 -10.517 8.920 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.418 -12.436 7.969 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.912 -10.902 7.215 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.819 -12.008 6.349 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.120 -12.730 8.815 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.430 -12.313 7.229 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.934 -11.410 8.680 1.00 0.00 H new ATOM 452 N LEU A 32 -1.225 -8.081 6.009 1.00 0.00 N ATOM 453 CA LEU A 32 -0.583 -7.248 4.998 1.00 0.00 C ATOM 454 C LEU A 32 -0.876 -7.770 3.595 1.00 0.00 C ATOM 455 O LEU A 32 -1.103 -8.965 3.402 1.00 0.00 O ATOM 456 CB LEU A 32 0.928 -7.202 5.232 1.00 0.00 C ATOM 457 CG LEU A 32 1.428 -6.114 6.182 1.00 0.00 C ATOM 458 CD1 LEU A 32 2.881 -6.360 6.559 1.00 0.00 C ATOM 459 CD2 LEU A 32 1.265 -4.739 5.551 1.00 0.00 C ATOM 0 H LEU A 32 -0.870 -9.036 6.056 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.989 -6.240 5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.245 -8.170 5.621 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.421 -7.069 4.269 1.00 0.00 H new ATOM 0 HG LEU A 32 0.827 -6.149 7.091 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.219 -5.575 7.236 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.970 -7.328 7.052 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.496 -6.353 5.659 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.626 -3.977 6.241 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.840 -4.693 4.626 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.212 -4.561 5.333 1.00 0.00 H new ATOM 471 N TYR A 33 -0.869 -6.868 2.620 1.00 0.00 N ATOM 472 CA TYR A 33 -1.135 -7.238 1.235 1.00 0.00 C ATOM 473 C TYR A 33 -0.078 -6.653 0.303 1.00 0.00 C ATOM 474 O TYR A 33 0.517 -5.616 0.595 1.00 0.00 O ATOM 475 CB TYR A 33 -2.524 -6.757 0.815 1.00 0.00 C ATOM 476 CG TYR A 33 -3.647 -7.370 1.621 1.00 0.00 C ATOM 477 CD1 TYR A 33 -3.815 -7.057 2.964 1.00 0.00 C ATOM 478 CD2 TYR A 33 -4.540 -8.261 1.040 1.00 0.00 C ATOM 479 CE1 TYR A 33 -4.839 -7.615 3.705 1.00 0.00 C ATOM 480 CE2 TYR A 33 -5.568 -8.823 1.772 1.00 0.00 C ATOM 481 CZ TYR A 33 -5.713 -8.497 3.105 1.00 0.00 C ATOM 482 OH TYR A 33 -6.734 -9.054 3.839 1.00 0.00 O ATOM 0 H TYR A 33 -0.682 -5.876 2.763 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.097 -8.325 1.162 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.568 -5.672 0.912 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.676 -6.989 -0.239 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.133 -6.366 3.437 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.429 -8.519 -0.003 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.954 -7.362 4.749 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.254 -9.513 1.304 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.127 -8.372 4.422 1.00 0.00 H new ATOM 492 N GLU A 34 0.148 -7.326 -0.821 1.00 0.00 N ATOM 493 CA GLU A 34 1.133 -6.874 -1.796 1.00 0.00 C ATOM 494 C GLU A 34 0.596 -5.697 -2.606 1.00 0.00 C ATOM 495 O GLU A 34 -0.540 -5.722 -3.079 1.00 0.00 O ATOM 496 CB GLU A 34 1.517 -8.019 -2.735 1.00 0.00 C ATOM 497 CG GLU A 34 2.672 -7.684 -3.664 1.00 0.00 C ATOM 498 CD GLU A 34 2.811 -8.675 -4.803 1.00 0.00 C ATOM 499 OE1 GLU A 34 1.779 -9.038 -5.404 1.00 0.00 O ATOM 500 OE2 GLU A 34 3.954 -9.087 -5.094 1.00 0.00 O ATOM 0 H GLU A 34 -0.337 -8.185 -1.079 1.00 0.00 H new ATOM 0 HA GLU A 34 2.019 -6.546 -1.253 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.783 -8.892 -2.139 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.648 -8.294 -3.334 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.526 -6.684 -4.073 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.599 -7.662 -3.091 1.00 0.00 H new ATOM 507 N ALA A 35 1.421 -4.666 -2.759 1.00 0.00 N ATOM 508 CA ALA A 35 1.030 -3.480 -3.511 1.00 0.00 C ATOM 509 C ALA A 35 2.254 -2.694 -3.971 1.00 0.00 C ATOM 510 O ALA A 35 3.391 -3.074 -3.690 1.00 0.00 O ATOM 511 CB ALA A 35 0.119 -2.598 -2.671 1.00 0.00 C ATOM 0 H ALA A 35 2.364 -4.628 -2.372 1.00 0.00 H new ATOM 0 HA ALA A 35 0.485 -3.805 -4.397 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.165 -1.716 -3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.776 -3.156 -2.397 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.644 -2.289 -1.767 1.00 0.00 H new ATOM 517 N LYS A 36 2.014 -1.597 -4.680 1.00 0.00 N ATOM 518 CA LYS A 36 3.095 -0.756 -5.179 1.00 0.00 C ATOM 519 C LYS A 36 2.690 0.715 -5.171 1.00 0.00 C ATOM 520 O LYS A 36 1.525 1.048 -5.392 1.00 0.00 O ATOM 521 CB LYS A 36 3.486 -1.180 -6.597 1.00 0.00 C ATOM 522 CG LYS A 36 4.529 -0.279 -7.235 1.00 0.00 C ATOM 523 CD LYS A 36 3.885 0.865 -7.999 1.00 0.00 C ATOM 524 CE LYS A 36 3.411 0.421 -9.374 1.00 0.00 C ATOM 525 NZ LYS A 36 4.424 -0.425 -10.064 1.00 0.00 N ATOM 0 H LYS A 36 1.079 -1.269 -4.922 1.00 0.00 H new ATOM 0 HA LYS A 36 3.953 -0.882 -4.518 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.867 -2.201 -6.570 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.594 -1.190 -7.223 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.186 0.122 -6.463 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.152 -0.864 -7.911 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.040 1.254 -7.430 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.600 1.681 -8.106 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.480 -0.136 -9.274 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.194 1.298 -9.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.321 -0.320 -11.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.378 -0.125 -9.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.281 -1.421 -9.801 1.00 0.00 H new ATOM 539 N CYS A 37 3.657 1.589 -4.916 1.00 0.00 N ATOM 540 CA CYS A 37 3.400 3.024 -4.880 1.00 0.00 C ATOM 541 C CYS A 37 2.959 3.532 -6.249 1.00 0.00 C ATOM 542 O CYS A 37 3.736 3.528 -7.204 1.00 0.00 O ATOM 543 CB CYS A 37 4.650 3.776 -4.422 1.00 0.00 C ATOM 544 SG CYS A 37 4.309 5.371 -3.642 1.00 0.00 S ATOM 0 H CYS A 37 4.626 1.329 -4.731 1.00 0.00 H new ATOM 0 HA CYS A 37 2.595 3.206 -4.168 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.200 3.150 -3.719 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.300 3.936 -5.282 1.00 0.00 H new ATOM 0 HG CYS A 37 5.428 5.929 -3.288 1.00 0.00 H new ATOM 550 N VAL A 38 1.706 3.968 -6.337 1.00 0.00 N ATOM 551 CA VAL A 38 1.162 4.479 -7.590 1.00 0.00 C ATOM 552 C VAL A 38 1.307 5.994 -7.675 1.00 0.00 C ATOM 553 O VAL A 38 1.642 6.539 -8.727 1.00 0.00 O ATOM 554 CB VAL A 38 -0.325 4.107 -7.748 1.00 0.00 C ATOM 555 CG1 VAL A 38 -0.789 4.356 -9.175 1.00 0.00 C ATOM 556 CG2 VAL A 38 -0.556 2.658 -7.349 1.00 0.00 C ATOM 0 H VAL A 38 1.049 3.978 -5.557 1.00 0.00 H new ATOM 0 HA VAL A 38 1.733 4.017 -8.395 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.913 4.741 -7.084 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.841 4.088 -9.267 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.660 5.410 -9.421 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.198 3.749 -9.861 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.611 2.412 -7.467 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.042 2.006 -7.986 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.264 2.516 -6.308 1.00 0.00 H new ATOM 566 N LYS A 39 1.053 6.671 -6.560 1.00 0.00 N ATOM 567 CA LYS A 39 1.157 8.124 -6.506 1.00 0.00 C ATOM 568 C LYS A 39 1.597 8.587 -5.120 1.00 0.00 C ATOM 569 O LYS A 39 1.514 7.836 -4.149 1.00 0.00 O ATOM 570 CB LYS A 39 -0.184 8.766 -6.867 1.00 0.00 C ATOM 571 CG LYS A 39 -0.580 8.570 -8.321 1.00 0.00 C ATOM 572 CD LYS A 39 -1.960 9.138 -8.604 1.00 0.00 C ATOM 573 CE LYS A 39 -2.566 8.530 -9.860 1.00 0.00 C ATOM 574 NZ LYS A 39 -3.751 9.298 -10.332 1.00 0.00 N ATOM 0 H LYS A 39 0.773 6.236 -5.681 1.00 0.00 H new ATOM 0 HA LYS A 39 1.909 8.436 -7.230 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.961 8.348 -6.228 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.136 9.834 -6.653 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.153 9.053 -8.967 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.566 7.507 -8.563 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.615 8.947 -7.754 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.893 10.220 -8.718 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.814 8.501 -10.649 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.858 7.499 -9.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.135 8.852 -11.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.479 9.304 -9.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.468 10.275 -10.547 1.00 0.00 H new ATOM 588 N VAL A 40 2.064 9.829 -5.037 1.00 0.00 N ATOM 589 CA VAL A 40 2.515 10.392 -3.770 1.00 0.00 C ATOM 590 C VAL A 40 1.956 11.796 -3.563 1.00 0.00 C ATOM 591 O VAL A 40 2.463 12.766 -4.127 1.00 0.00 O ATOM 592 CB VAL A 40 4.052 10.448 -3.695 1.00 0.00 C ATOM 593 CG1 VAL A 40 4.501 11.048 -2.372 1.00 0.00 C ATOM 594 CG2 VAL A 40 4.645 9.060 -3.889 1.00 0.00 C ATOM 0 H VAL A 40 2.140 10.464 -5.832 1.00 0.00 H new ATOM 0 HA VAL A 40 2.144 9.736 -2.983 1.00 0.00 H new ATOM 0 HB VAL A 40 4.415 11.089 -4.498 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.590 11.079 -2.338 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.106 12.060 -2.278 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.129 10.436 -1.550 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.732 9.118 -3.833 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.276 8.394 -3.108 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.352 8.672 -4.865 1.00 0.00 H new ATOM 604 N ALA A 41 0.909 11.896 -2.752 1.00 0.00 N ATOM 605 CA ALA A 41 0.282 13.181 -2.468 1.00 0.00 C ATOM 606 C ALA A 41 0.556 13.621 -1.034 1.00 0.00 C ATOM 607 O ALA A 41 0.963 12.817 -0.195 1.00 0.00 O ATOM 608 CB ALA A 41 -1.216 13.105 -2.722 1.00 0.00 C ATOM 0 H ALA A 41 0.476 11.102 -2.280 1.00 0.00 H new ATOM 0 HA ALA A 41 0.715 13.924 -3.137 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.671 14.072 -2.506 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.395 12.845 -3.765 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.656 12.344 -2.077 1.00 0.00 H new ATOM 614 N ILE A 42 0.331 14.902 -0.760 1.00 0.00 N ATOM 615 CA ILE A 42 0.554 15.447 0.573 1.00 0.00 C ATOM 616 C ILE A 42 -0.548 16.430 0.956 1.00 0.00 C ATOM 617 O ILE A 42 -0.758 17.438 0.280 1.00 0.00 O ATOM 618 CB ILE A 42 1.917 16.157 0.671 1.00 0.00 C ATOM 619 CG1 ILE A 42 3.049 15.182 0.343 1.00 0.00 C ATOM 620 CG2 ILE A 42 2.107 16.751 2.059 1.00 0.00 C ATOM 621 CD1 ILE A 42 4.354 15.864 0.000 1.00 0.00 C ATOM 0 H ILE A 42 -0.005 15.581 -1.443 1.00 0.00 H new ATOM 0 HA ILE A 42 0.543 14.604 1.264 1.00 0.00 H new ATOM 0 HB ILE A 42 1.940 16.969 -0.056 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.207 14.521 1.196 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.745 14.554 -0.495 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.075 17.249 2.112 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.315 17.474 2.257 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.067 15.956 2.804 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.111 15.111 -0.221 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.212 16.503 -0.871 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.681 16.470 0.845 1.00 0.00 H new ATOM 633 N LYS A 43 -1.247 16.132 2.045 1.00 0.00 N ATOM 634 CA LYS A 43 -2.326 16.990 2.521 1.00 0.00 C ATOM 635 C LYS A 43 -2.553 16.798 4.017 1.00 0.00 C ATOM 636 O LYS A 43 -1.971 15.906 4.634 1.00 0.00 O ATOM 637 CB LYS A 43 -3.617 16.693 1.756 1.00 0.00 C ATOM 638 CG LYS A 43 -3.784 17.528 0.498 1.00 0.00 C ATOM 639 CD LYS A 43 -5.150 17.317 -0.134 1.00 0.00 C ATOM 640 CE LYS A 43 -6.205 18.202 0.511 1.00 0.00 C ATOM 641 NZ LYS A 43 -6.095 19.617 0.059 1.00 0.00 N ATOM 0 H LYS A 43 -1.086 15.302 2.616 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.037 18.026 2.345 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.635 15.637 1.486 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.468 16.868 2.414 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.653 18.583 0.740 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.006 17.267 -0.219 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.096 17.533 -1.201 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.441 16.271 -0.034 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.197 17.820 0.269 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.102 18.158 1.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.918 20.155 0.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.225 20.037 0.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.066 19.648 -0.980 1.00 0.00 H new ATOM 655 N ASP A 44 -3.404 17.639 4.594 1.00 0.00 N ATOM 656 CA ASP A 44 -3.711 17.560 6.018 1.00 0.00 C ATOM 657 C ASP A 44 -2.445 17.320 6.834 1.00 0.00 C ATOM 658 O ASP A 44 -2.459 16.580 7.818 1.00 0.00 O ATOM 659 CB ASP A 44 -4.723 16.444 6.282 1.00 0.00 C ATOM 660 CG ASP A 44 -6.155 16.905 6.096 1.00 0.00 C ATOM 661 OD1 ASP A 44 -6.561 17.124 4.935 1.00 0.00 O ATOM 662 OD2 ASP A 44 -6.870 17.048 7.110 1.00 0.00 O ATOM 0 H ASP A 44 -3.894 18.384 4.098 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.144 18.512 6.325 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.523 15.610 5.610 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.593 16.073 7.299 1.00 0.00 H new ATOM 667 N LYS A 45 -1.351 17.948 6.418 1.00 0.00 N ATOM 668 CA LYS A 45 -0.075 17.804 7.110 1.00 0.00 C ATOM 669 C LYS A 45 0.321 16.335 7.219 1.00 0.00 C ATOM 670 O LYS A 45 0.802 15.889 8.261 1.00 0.00 O ATOM 671 CB LYS A 45 -0.155 18.427 8.505 1.00 0.00 C ATOM 672 CG LYS A 45 -0.426 19.922 8.489 1.00 0.00 C ATOM 673 CD LYS A 45 0.776 20.701 7.984 1.00 0.00 C ATOM 674 CE LYS A 45 0.358 22.013 7.338 1.00 0.00 C ATOM 675 NZ LYS A 45 0.216 23.105 8.341 1.00 0.00 N ATOM 0 H LYS A 45 -1.322 18.562 5.604 1.00 0.00 H new ATOM 0 HA LYS A 45 0.686 18.325 6.530 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.942 17.930 9.071 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.782 18.242 9.031 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.288 20.130 7.855 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.682 20.257 9.494 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.455 20.902 8.813 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.325 20.097 7.262 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.097 22.301 6.590 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.588 21.875 6.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.070 23.982 7.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.507 22.842 9.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.126 23.255 8.823 1.00 0.00 H new ATOM 689 N GLN A 46 0.115 15.589 6.139 1.00 0.00 N ATOM 690 CA GLN A 46 0.452 14.171 6.115 1.00 0.00 C ATOM 691 C GLN A 46 0.739 13.703 4.692 1.00 0.00 C ATOM 692 O GLN A 46 0.059 14.103 3.747 1.00 0.00 O ATOM 693 CB GLN A 46 -0.686 13.344 6.716 1.00 0.00 C ATOM 694 CG GLN A 46 -1.763 12.970 5.710 1.00 0.00 C ATOM 695 CD GLN A 46 -2.767 11.982 6.270 1.00 0.00 C ATOM 696 OE1 GLN A 46 -2.435 11.158 7.123 1.00 0.00 O ATOM 697 NE2 GLN A 46 -4.004 12.060 5.793 1.00 0.00 N ATOM 0 H GLN A 46 -0.284 15.943 5.269 1.00 0.00 H new ATOM 0 HA GLN A 46 1.352 14.028 6.714 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.273 12.433 7.149 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.141 13.906 7.531 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.286 13.872 5.391 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.294 12.543 4.824 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -4.235 12.758 5.087 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -4.723 11.421 6.133 1.00 0.00 H new ATOM 706 N VAL A 47 1.752 12.854 4.546 1.00 0.00 N ATOM 707 CA VAL A 47 2.129 12.331 3.238 1.00 0.00 C ATOM 708 C VAL A 47 1.381 11.040 2.926 1.00 0.00 C ATOM 709 O VAL A 47 1.482 10.058 3.662 1.00 0.00 O ATOM 710 CB VAL A 47 3.644 12.068 3.154 1.00 0.00 C ATOM 711 CG1 VAL A 47 4.060 11.797 1.717 1.00 0.00 C ATOM 712 CG2 VAL A 47 4.421 13.242 3.731 1.00 0.00 C ATOM 0 H VAL A 47 2.326 12.514 5.318 1.00 0.00 H new ATOM 0 HA VAL A 47 1.859 13.090 2.504 1.00 0.00 H new ATOM 0 HB VAL A 47 3.875 11.183 3.746 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.134 11.613 1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.528 10.922 1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.817 12.661 1.099 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.490 13.039 3.664 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.187 14.145 3.168 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.144 13.384 4.776 1.00 0.00 H new ATOM 722 N LYS A 48 0.631 11.047 1.829 1.00 0.00 N ATOM 723 CA LYS A 48 -0.133 9.875 1.417 1.00 0.00 C ATOM 724 C LYS A 48 0.461 9.254 0.157 1.00 0.00 C ATOM 725 O LYS A 48 1.264 9.880 -0.536 1.00 0.00 O ATOM 726 CB LYS A 48 -1.595 10.256 1.170 1.00 0.00 C ATOM 727 CG LYS A 48 -2.391 10.468 2.446 1.00 0.00 C ATOM 728 CD LYS A 48 -3.041 9.178 2.919 1.00 0.00 C ATOM 729 CE LYS A 48 -3.904 9.408 4.150 1.00 0.00 C ATOM 730 NZ LYS A 48 -3.121 9.276 5.409 1.00 0.00 N ATOM 0 H LYS A 48 0.536 11.851 1.209 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.086 9.140 2.220 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.629 11.168 0.575 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.071 9.473 0.580 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.734 10.853 3.226 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.159 11.222 2.276 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.652 8.762 2.118 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.269 8.443 3.146 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.348 10.402 4.101 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.726 8.692 4.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.624 9.755 6.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.006 8.269 5.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.185 9.711 5.283 1.00 0.00 H new ATOM 744 N TYR A 49 0.061 8.022 -0.134 1.00 0.00 N ATOM 745 CA TYR A 49 0.555 7.316 -1.311 1.00 0.00 C ATOM 746 C TYR A 49 -0.528 6.419 -1.902 1.00 0.00 C ATOM 747 O TYR A 49 -1.088 5.565 -1.214 1.00 0.00 O ATOM 748 CB TYR A 49 1.785 6.480 -0.951 1.00 0.00 C ATOM 749 CG TYR A 49 2.789 7.218 -0.095 1.00 0.00 C ATOM 750 CD1 TYR A 49 2.451 7.669 1.175 1.00 0.00 C ATOM 751 CD2 TYR A 49 4.077 7.463 -0.556 1.00 0.00 C ATOM 752 CE1 TYR A 49 3.366 8.345 1.959 1.00 0.00 C ATOM 753 CE2 TYR A 49 4.998 8.136 0.222 1.00 0.00 C ATOM 754 CZ TYR A 49 4.638 8.576 1.479 1.00 0.00 C ATOM 755 OH TYR A 49 5.552 9.247 2.258 1.00 0.00 O ATOM 0 H TYR A 49 -0.604 7.491 0.428 1.00 0.00 H new ATOM 0 HA TYR A 49 0.834 8.059 -2.058 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.462 5.582 -0.425 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.273 6.153 -1.869 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.457 7.488 1.556 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.362 7.121 -1.540 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.086 8.691 2.943 1.00 0.00 H new ATOM 0 HE2 TYR A 49 5.995 8.317 -0.152 1.00 0.00 H new ATOM 0 HH TYR A 49 6.367 9.410 1.739 1.00 0.00 H new ATOM 765 N PHE A 50 -0.817 6.618 -3.184 1.00 0.00 N ATOM 766 CA PHE A 50 -1.833 5.829 -3.870 1.00 0.00 C ATOM 767 C PHE A 50 -1.352 4.397 -4.091 1.00 0.00 C ATOM 768 O PHE A 50 -0.573 4.127 -5.005 1.00 0.00 O ATOM 769 CB PHE A 50 -2.189 6.472 -5.212 1.00 0.00 C ATOM 770 CG PHE A 50 -3.351 5.816 -5.902 1.00 0.00 C ATOM 771 CD1 PHE A 50 -4.477 5.443 -5.186 1.00 0.00 C ATOM 772 CD2 PHE A 50 -3.318 5.574 -7.266 1.00 0.00 C ATOM 773 CE1 PHE A 50 -5.548 4.839 -5.818 1.00 0.00 C ATOM 774 CE2 PHE A 50 -4.386 4.971 -7.903 1.00 0.00 C ATOM 775 CZ PHE A 50 -5.503 4.604 -7.178 1.00 0.00 C ATOM 0 H PHE A 50 -0.362 7.319 -3.769 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.723 5.802 -3.241 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.420 7.525 -5.051 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.319 6.433 -5.867 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.519 5.626 -4.122 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.448 5.860 -7.838 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.419 4.551 -5.248 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -4.347 4.787 -8.966 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.340 4.134 -7.674 1.00 0.00 H new ATOM 785 N ILE A 51 -1.823 3.485 -3.247 1.00 0.00 N ATOM 786 CA ILE A 51 -1.442 2.082 -3.350 1.00 0.00 C ATOM 787 C ILE A 51 -2.304 1.352 -4.374 1.00 0.00 C ATOM 788 O ILE A 51 -3.447 1.734 -4.625 1.00 0.00 O ATOM 789 CB ILE A 51 -1.560 1.365 -1.992 1.00 0.00 C ATOM 790 CG1 ILE A 51 -0.701 2.072 -0.941 1.00 0.00 C ATOM 791 CG2 ILE A 51 -1.151 -0.094 -2.125 1.00 0.00 C ATOM 792 CD1 ILE A 51 0.772 2.097 -1.283 1.00 0.00 C ATOM 0 H ILE A 51 -2.468 3.692 -2.485 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.401 2.061 -3.673 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.600 1.401 -1.668 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.056 3.096 -0.822 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.834 1.575 0.020 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.240 -0.587 -1.157 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.801 -0.590 -2.846 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.118 -0.152 -2.468 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.320 2.613 -0.495 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.142 1.076 -1.373 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.917 2.620 -2.228 1.00 0.00 H new ATOM 804 N HIS A 52 -1.748 0.297 -4.962 1.00 0.00 N ATOM 805 CA HIS A 52 -2.467 -0.490 -5.959 1.00 0.00 C ATOM 806 C HIS A 52 -2.400 -1.978 -5.628 1.00 0.00 C ATOM 807 O HIS A 52 -1.439 -2.660 -5.984 1.00 0.00 O ATOM 808 CB HIS A 52 -1.889 -0.238 -7.352 1.00 0.00 C ATOM 809 CG HIS A 52 -2.381 -1.203 -8.387 1.00 0.00 C ATOM 810 ND1 HIS A 52 -3.684 -1.225 -8.837 1.00 0.00 N ATOM 811 CD2 HIS A 52 -1.734 -2.182 -9.062 1.00 0.00 C ATOM 812 CE1 HIS A 52 -3.818 -2.177 -9.743 1.00 0.00 C ATOM 813 NE2 HIS A 52 -2.649 -2.773 -9.898 1.00 0.00 N ATOM 0 H HIS A 52 -0.803 -0.033 -4.766 1.00 0.00 H new ATOM 0 HA HIS A 52 -3.512 -0.180 -5.946 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.141 0.776 -7.663 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -0.802 -0.295 -7.301 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -0.692 -2.449 -8.962 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -4.728 -2.426 -10.268 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -2.457 -3.546 -10.535 1.00 0.00 H new ATOM 822 N TYR A 53 -3.426 -2.473 -4.944 1.00 0.00 N ATOM 823 CA TYR A 53 -3.481 -3.880 -4.563 1.00 0.00 C ATOM 824 C TYR A 53 -3.382 -4.781 -5.789 1.00 0.00 C ATOM 825 O TYR A 53 -4.287 -4.816 -6.623 1.00 0.00 O ATOM 826 CB TYR A 53 -4.777 -4.173 -3.804 1.00 0.00 C ATOM 827 CG TYR A 53 -4.760 -3.695 -2.370 1.00 0.00 C ATOM 828 CD1 TYR A 53 -4.706 -2.340 -2.068 1.00 0.00 C ATOM 829 CD2 TYR A 53 -4.799 -4.600 -1.315 1.00 0.00 C ATOM 830 CE1 TYR A 53 -4.689 -1.899 -0.759 1.00 0.00 C ATOM 831 CE2 TYR A 53 -4.784 -4.168 -0.003 1.00 0.00 C ATOM 832 CZ TYR A 53 -4.729 -2.817 0.270 1.00 0.00 C ATOM 833 OH TYR A 53 -4.714 -2.382 1.575 1.00 0.00 O ATOM 0 H TYR A 53 -4.230 -1.922 -4.642 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.631 -4.088 -3.913 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.609 -3.700 -4.326 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.961 -5.247 -3.818 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.677 -1.618 -2.871 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.842 -5.659 -1.525 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.645 -0.842 -0.542 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.815 -4.884 0.805 1.00 0.00 H new ATOM 0 HH TYR A 53 -5.613 -2.089 1.832 1.00 0.00 H new ATOM 843 N SER A 54 -2.275 -5.510 -5.892 1.00 0.00 N ATOM 844 CA SER A 54 -2.054 -6.411 -7.017 1.00 0.00 C ATOM 845 C SER A 54 -3.368 -7.033 -7.481 1.00 0.00 C ATOM 846 O SER A 54 -4.132 -7.567 -6.678 1.00 0.00 O ATOM 847 CB SER A 54 -1.064 -7.511 -6.631 1.00 0.00 C ATOM 848 OG SER A 54 -0.722 -8.306 -7.753 1.00 0.00 O ATOM 0 H SER A 54 -1.517 -5.494 -5.210 1.00 0.00 H new ATOM 0 HA SER A 54 -1.637 -5.830 -7.839 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.164 -7.063 -6.211 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.499 -8.140 -5.855 1.00 0.00 H new ATOM 0 HG SER A 54 -0.087 -9.001 -7.480 1.00 0.00 H new ATOM 971 N GLU A 62 -6.786 2.487 -2.859 1.00 0.00 N ATOM 972 CA GLU A 62 -7.037 3.533 -1.875 1.00 0.00 C ATOM 973 C GLU A 62 -5.745 4.259 -1.511 1.00 0.00 C ATOM 974 O GLU A 62 -4.653 3.829 -1.885 1.00 0.00 O ATOM 975 CB GLU A 62 -7.671 2.938 -0.616 1.00 0.00 C ATOM 976 CG GLU A 62 -6.899 1.762 -0.042 1.00 0.00 C ATOM 977 CD GLU A 62 -7.223 1.507 1.417 1.00 0.00 C ATOM 978 OE1 GLU A 62 -6.682 2.229 2.280 1.00 0.00 O ATOM 979 OE2 GLU A 62 -8.018 0.585 1.695 1.00 0.00 O ATOM 0 HA GLU A 62 -7.727 4.253 -2.316 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.749 3.716 0.144 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.686 2.616 -0.848 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.124 0.867 -0.622 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.830 1.949 -0.146 1.00 0.00 H new ATOM 986 N TRP A 63 -5.877 5.361 -0.782 1.00 0.00 N ATOM 987 CA TRP A 63 -4.721 6.147 -0.368 1.00 0.00 C ATOM 988 C TRP A 63 -4.280 5.767 1.041 1.00 0.00 C ATOM 989 O TRP A 63 -5.107 5.604 1.938 1.00 0.00 O ATOM 990 CB TRP A 63 -5.046 7.641 -0.429 1.00 0.00 C ATOM 991 CG TRP A 63 -4.996 8.203 -1.818 1.00 0.00 C ATOM 992 CD1 TRP A 63 -6.046 8.358 -2.677 1.00 0.00 C ATOM 993 CD2 TRP A 63 -3.837 8.683 -2.507 1.00 0.00 C ATOM 994 NE1 TRP A 63 -5.610 8.906 -3.859 1.00 0.00 N ATOM 995 CE2 TRP A 63 -4.258 9.115 -3.780 1.00 0.00 C ATOM 996 CE3 TRP A 63 -2.484 8.791 -2.173 1.00 0.00 C ATOM 997 CZ2 TRP A 63 -3.374 9.645 -4.716 1.00 0.00 C ATOM 998 CZ3 TRP A 63 -1.608 9.317 -3.103 1.00 0.00 C ATOM 999 CH2 TRP A 63 -2.056 9.739 -4.362 1.00 0.00 C ATOM 0 H TRP A 63 -6.773 5.731 -0.465 1.00 0.00 H new ATOM 0 HA TRP A 63 -3.902 5.932 -1.055 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -6.040 7.807 -0.013 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.342 8.185 0.201 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.069 8.089 -2.459 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -6.197 9.122 -4.664 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.130 8.469 -1.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -3.717 9.970 -5.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -0.560 9.404 -2.856 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -1.346 10.147 -5.067 1.00 0.00 H new ATOM 1010 N VAL A 64 -2.971 5.629 1.230 1.00 0.00 N ATOM 1011 CA VAL A 64 -2.421 5.269 2.531 1.00 0.00 C ATOM 1012 C VAL A 64 -1.266 6.189 2.912 1.00 0.00 C ATOM 1013 O VAL A 64 -0.547 6.710 2.059 1.00 0.00 O ATOM 1014 CB VAL A 64 -1.928 3.810 2.548 1.00 0.00 C ATOM 1015 CG1 VAL A 64 -2.905 2.907 1.811 1.00 0.00 C ATOM 1016 CG2 VAL A 64 -0.536 3.711 1.942 1.00 0.00 C ATOM 0 H VAL A 64 -2.272 5.761 0.499 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.226 5.381 3.257 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.873 3.476 3.584 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.540 1.880 1.834 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.881 2.956 2.294 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.996 3.237 0.776 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.203 2.673 1.962 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.562 4.064 0.911 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.156 4.325 2.518 1.00 0.00 H new ATOM 1026 N PRO A 65 -1.082 6.394 4.225 1.00 0.00 N ATOM 1027 CA PRO A 65 -0.014 7.251 4.750 1.00 0.00 C ATOM 1028 C PRO A 65 1.369 6.641 4.551 1.00 0.00 C ATOM 1029 O PRO A 65 1.506 5.573 3.956 1.00 0.00 O ATOM 1030 CB PRO A 65 -0.344 7.355 6.241 1.00 0.00 C ATOM 1031 CG PRO A 65 -1.121 6.121 6.544 1.00 0.00 C ATOM 1032 CD PRO A 65 -1.901 5.806 5.297 1.00 0.00 C ATOM 0 HA PRO A 65 0.025 8.214 4.240 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.562 7.410 6.844 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.925 8.252 6.456 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.458 5.297 6.808 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.788 6.278 7.392 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.027 4.732 5.163 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.899 6.243 5.326 1.00 0.00 H new ATOM 1040 N GLU A 66 2.391 7.327 5.054 1.00 0.00 N ATOM 1041 CA GLU A 66 3.764 6.851 4.931 1.00 0.00 C ATOM 1042 C GLU A 66 4.067 5.786 5.981 1.00 0.00 C ATOM 1043 O GLU A 66 5.089 5.104 5.911 1.00 0.00 O ATOM 1044 CB GLU A 66 4.745 8.016 5.072 1.00 0.00 C ATOM 1045 CG GLU A 66 6.180 7.648 4.731 1.00 0.00 C ATOM 1046 CD GLU A 66 7.165 8.742 5.096 1.00 0.00 C ATOM 1047 OE1 GLU A 66 7.668 8.731 6.238 1.00 0.00 O ATOM 1048 OE2 GLU A 66 7.433 9.609 4.237 1.00 0.00 O ATOM 0 H GLU A 66 2.294 8.213 5.550 1.00 0.00 H new ATOM 0 HA GLU A 66 3.880 6.405 3.943 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.424 8.831 4.423 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.708 8.389 6.095 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.450 6.731 5.255 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.254 7.439 3.664 1.00 0.00 H new ATOM 1055 N SER A 67 3.171 5.651 6.954 1.00 0.00 N ATOM 1056 CA SER A 67 3.344 4.673 8.021 1.00 0.00 C ATOM 1057 C SER A 67 2.730 3.332 7.634 1.00 0.00 C ATOM 1058 O SER A 67 3.171 2.278 8.093 1.00 0.00 O ATOM 1059 CB SER A 67 2.709 5.183 9.316 1.00 0.00 C ATOM 1060 OG SER A 67 2.855 4.238 10.362 1.00 0.00 O ATOM 0 H SER A 67 2.318 6.207 7.025 1.00 0.00 H new ATOM 0 HA SER A 67 4.413 4.531 8.180 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.173 6.126 9.606 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.651 5.386 9.150 1.00 0.00 H new ATOM 0 HG SER A 67 2.442 4.588 11.179 1.00 0.00 H new ATOM 1066 N ARG A 68 1.708 3.379 6.785 1.00 0.00 N ATOM 1067 CA ARG A 68 1.031 2.168 6.336 1.00 0.00 C ATOM 1068 C ARG A 68 1.690 1.612 5.078 1.00 0.00 C ATOM 1069 O ARG A 68 1.101 0.802 4.361 1.00 0.00 O ATOM 1070 CB ARG A 68 -0.447 2.455 6.066 1.00 0.00 C ATOM 1071 CG ARG A 68 -1.323 2.356 7.304 1.00 0.00 C ATOM 1072 CD ARG A 68 -2.780 2.120 6.939 1.00 0.00 C ATOM 1073 NE ARG A 68 -3.670 2.321 8.079 1.00 0.00 N ATOM 1074 CZ ARG A 68 -4.994 2.350 7.982 1.00 0.00 C ATOM 1075 NH1 ARG A 68 -5.579 2.192 6.802 1.00 0.00 N ATOM 1076 NH2 ARG A 68 -5.737 2.537 9.065 1.00 0.00 N ATOM 0 H ARG A 68 1.331 4.243 6.394 1.00 0.00 H new ATOM 0 HA ARG A 68 1.111 1.422 7.127 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.543 3.455 5.643 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.813 1.755 5.315 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.969 1.542 7.937 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.237 3.273 7.886 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.066 2.796 6.133 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.899 1.105 6.561 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.252 2.446 9.001 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.012 2.048 5.967 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.596 2.215 6.730 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.291 2.659 9.974 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.754 2.559 8.988 1.00 0.00 H new ATOM 1090 N VAL A 69 2.917 2.052 4.814 1.00 0.00 N ATOM 1091 CA VAL A 69 3.657 1.598 3.643 1.00 0.00 C ATOM 1092 C VAL A 69 5.038 1.082 4.031 1.00 0.00 C ATOM 1093 O VAL A 69 5.731 1.688 4.849 1.00 0.00 O ATOM 1094 CB VAL A 69 3.815 2.726 2.607 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.412 2.186 1.316 1.00 0.00 C ATOM 1096 CG2 VAL A 69 2.476 3.399 2.344 1.00 0.00 C ATOM 0 H VAL A 69 3.419 2.723 5.396 1.00 0.00 H new ATOM 0 HA VAL A 69 3.081 0.786 3.200 1.00 0.00 H new ATOM 0 HB VAL A 69 4.498 3.473 3.011 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.516 2.998 0.596 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.392 1.755 1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.756 1.418 0.905 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.606 4.194 1.609 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.768 2.664 1.961 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.093 3.822 3.273 1.00 0.00 H new ATOM 1106 N LEU A 70 5.432 -0.040 3.439 1.00 0.00 N ATOM 1107 CA LEU A 70 6.732 -0.638 3.723 1.00 0.00 C ATOM 1108 C LEU A 70 7.652 -0.541 2.510 1.00 0.00 C ATOM 1109 O LEU A 70 7.225 -0.153 1.422 1.00 0.00 O ATOM 1110 CB LEU A 70 6.563 -2.102 4.133 1.00 0.00 C ATOM 1111 CG LEU A 70 5.563 -2.373 5.257 1.00 0.00 C ATOM 1112 CD1 LEU A 70 5.360 -3.869 5.442 1.00 0.00 C ATOM 1113 CD2 LEU A 70 6.031 -1.732 6.554 1.00 0.00 C ATOM 0 H LEU A 70 4.871 -0.554 2.760 1.00 0.00 H new ATOM 0 HA LEU A 70 7.186 -0.087 4.546 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.256 -2.671 3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.536 -2.488 4.438 1.00 0.00 H new ATOM 0 HG LEU A 70 4.607 -1.929 4.981 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.645 -4.042 6.246 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.978 -4.301 4.517 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.311 -4.337 5.695 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.307 -1.936 7.343 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.999 -2.145 6.835 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.123 -0.655 6.415 1.00 0.00 H new ATOM 1125 N LYS A 71 8.917 -0.898 2.703 1.00 0.00 N ATOM 1126 CA LYS A 71 9.898 -0.855 1.625 1.00 0.00 C ATOM 1127 C LYS A 71 9.972 -2.197 0.903 1.00 0.00 C ATOM 1128 O LYS A 71 10.872 -2.429 0.096 1.00 0.00 O ATOM 1129 CB LYS A 71 11.277 -0.485 2.177 1.00 0.00 C ATOM 1130 CG LYS A 71 11.339 0.912 2.771 1.00 0.00 C ATOM 1131 CD LYS A 71 10.684 0.965 4.141 1.00 0.00 C ATOM 1132 CE LYS A 71 11.132 2.189 4.926 1.00 0.00 C ATOM 1133 NZ LYS A 71 12.451 1.974 5.583 1.00 0.00 N ATOM 0 H LYS A 71 9.287 -1.221 3.597 1.00 0.00 H new ATOM 0 HA LYS A 71 9.583 -0.094 0.911 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.559 -1.209 2.942 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.013 -0.564 1.377 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.379 1.228 2.851 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.843 1.615 2.102 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.600 0.981 4.027 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.932 0.062 4.699 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.195 3.047 4.256 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.384 2.429 5.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.721 2.830 6.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.384 1.171 6.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.170 1.770 4.860 1.00 0.00 H new ATOM 1147 N TYR A 72 9.021 -3.075 1.198 1.00 0.00 N ATOM 1148 CA TYR A 72 8.979 -4.394 0.577 1.00 0.00 C ATOM 1149 C TYR A 72 10.343 -5.073 0.647 1.00 0.00 C ATOM 1150 O TYR A 72 10.769 -5.737 -0.298 1.00 0.00 O ATOM 1151 CB TYR A 72 8.528 -4.280 -0.881 1.00 0.00 C ATOM 1152 CG TYR A 72 7.968 -5.568 -1.443 1.00 0.00 C ATOM 1153 CD1 TYR A 72 6.622 -5.881 -1.307 1.00 0.00 C ATOM 1154 CD2 TYR A 72 8.786 -6.470 -2.112 1.00 0.00 C ATOM 1155 CE1 TYR A 72 6.106 -7.056 -1.818 1.00 0.00 C ATOM 1156 CE2 TYR A 72 8.279 -7.646 -2.629 1.00 0.00 C ATOM 1157 CZ TYR A 72 6.939 -7.935 -2.479 1.00 0.00 C ATOM 1158 OH TYR A 72 6.429 -9.106 -2.991 1.00 0.00 O ATOM 0 H TYR A 72 8.268 -2.898 1.863 1.00 0.00 H new ATOM 0 HA TYR A 72 8.261 -5.003 1.126 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.771 -3.500 -0.959 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.374 -3.965 -1.491 1.00 0.00 H new ATOM 0 HD1 TYR A 72 5.967 -5.194 -0.793 1.00 0.00 H new ATOM 0 HD2 TYR A 72 9.836 -6.248 -2.230 1.00 0.00 H new ATOM 0 HE1 TYR A 72 5.057 -7.285 -1.701 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.928 -8.336 -3.148 1.00 0.00 H new ATOM 0 HH TYR A 72 5.702 -8.901 -3.615 1.00 0.00 H new ATOM 1168 N VAL A 73 11.024 -4.901 1.776 1.00 0.00 N ATOM 1169 CA VAL A 73 12.340 -5.498 1.973 1.00 0.00 C ATOM 1170 C VAL A 73 12.255 -6.735 2.860 1.00 0.00 C ATOM 1171 O VAL A 73 11.283 -6.921 3.592 1.00 0.00 O ATOM 1172 CB VAL A 73 13.323 -4.494 2.603 1.00 0.00 C ATOM 1173 CG1 VAL A 73 13.510 -3.288 1.696 1.00 0.00 C ATOM 1174 CG2 VAL A 73 12.837 -4.066 3.980 1.00 0.00 C ATOM 0 H VAL A 73 10.686 -4.353 2.568 1.00 0.00 H new ATOM 0 HA VAL A 73 12.708 -5.786 0.988 1.00 0.00 H new ATOM 0 HB VAL A 73 14.290 -4.983 2.720 1.00 0.00 H new ATOM 0 HG11 VAL A 73 14.208 -2.590 2.158 1.00 0.00 H new ATOM 0 HG12 VAL A 73 13.906 -3.614 0.734 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.550 -2.794 1.544 1.00 0.00 H new ATOM 0 HG21 VAL A 73 13.543 -3.356 4.411 1.00 0.00 H new ATOM 0 HG22 VAL A 73 11.858 -3.595 3.890 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.761 -4.940 4.627 1.00 0.00 H new ATOM 1184 N ASP A 74 13.280 -7.578 2.790 1.00 0.00 N ATOM 1185 CA ASP A 74 13.322 -8.798 3.588 1.00 0.00 C ATOM 1186 C ASP A 74 12.654 -8.584 4.943 1.00 0.00 C ATOM 1187 O ASP A 74 11.666 -9.242 5.271 1.00 0.00 O ATOM 1188 CB ASP A 74 14.769 -9.253 3.785 1.00 0.00 C ATOM 1189 CG ASP A 74 15.749 -8.097 3.757 1.00 0.00 C ATOM 1190 OD1 ASP A 74 15.480 -7.074 4.421 1.00 0.00 O ATOM 1191 OD2 ASP A 74 16.786 -8.215 3.071 1.00 0.00 O ATOM 0 H ASP A 74 14.092 -7.439 2.189 1.00 0.00 H new ATOM 0 HA ASP A 74 12.775 -9.573 3.052 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.856 -9.776 4.737 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.032 -9.967 3.004 1.00 0.00 H new ATOM 1196 N THR A 75 13.201 -7.660 5.727 1.00 0.00 N ATOM 1197 CA THR A 75 12.660 -7.362 7.047 1.00 0.00 C ATOM 1198 C THR A 75 11.139 -7.269 7.010 1.00 0.00 C ATOM 1199 O THR A 75 10.444 -8.071 7.633 1.00 0.00 O ATOM 1200 CB THR A 75 13.229 -6.042 7.602 1.00 0.00 C ATOM 1201 OG1 THR A 75 14.636 -5.970 7.346 1.00 0.00 O ATOM 1202 CG2 THR A 75 12.975 -5.930 9.098 1.00 0.00 C ATOM 0 H THR A 75 14.018 -7.106 5.471 1.00 0.00 H new ATOM 0 HA THR A 75 12.956 -8.182 7.702 1.00 0.00 H new ATOM 0 HB THR A 75 12.725 -5.215 7.101 1.00 0.00 H new ATOM 0 HG1 THR A 75 14.990 -5.128 7.700 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.385 -4.990 9.467 1.00 0.00 H new ATOM 0 HG22 THR A 75 11.902 -5.957 9.288 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.455 -6.763 9.612 1.00 0.00 H new ATOM 1210 N ASN A 76 10.628 -6.288 6.274 1.00 0.00 N ATOM 1211 CA ASN A 76 9.187 -6.091 6.156 1.00 0.00 C ATOM 1212 C ASN A 76 8.493 -7.388 5.753 1.00 0.00 C ATOM 1213 O ASN A 76 7.451 -7.745 6.304 1.00 0.00 O ATOM 1214 CB ASN A 76 8.884 -4.997 5.131 1.00 0.00 C ATOM 1215 CG ASN A 76 9.243 -3.614 5.638 1.00 0.00 C ATOM 1216 OD1 ASN A 76 9.054 -3.303 6.814 1.00 0.00 O ATOM 1217 ND2 ASN A 76 9.765 -2.775 4.750 1.00 0.00 N ATOM 0 H ASN A 76 11.190 -5.617 5.750 1.00 0.00 H new ATOM 0 HA ASN A 76 8.806 -5.783 7.130 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.437 -5.199 4.214 1.00 0.00 H new ATOM 0 HB3 ASN A 76 7.824 -5.024 4.877 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.027 -1.831 5.033 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.904 -3.075 3.785 1.00 0.00 H new ATOM 1224 N LEU A 77 9.077 -8.091 4.788 1.00 0.00 N ATOM 1225 CA LEU A 77 8.516 -9.349 4.311 1.00 0.00 C ATOM 1226 C LEU A 77 8.357 -10.344 5.456 1.00 0.00 C ATOM 1227 O LEU A 77 7.318 -10.990 5.590 1.00 0.00 O ATOM 1228 CB LEU A 77 9.407 -9.947 3.221 1.00 0.00 C ATOM 1229 CG LEU A 77 9.516 -9.142 1.926 1.00 0.00 C ATOM 1230 CD1 LEU A 77 10.586 -9.730 1.019 1.00 0.00 C ATOM 1231 CD2 LEU A 77 8.173 -9.099 1.210 1.00 0.00 C ATOM 0 H LEU A 77 9.939 -7.810 4.321 1.00 0.00 H new ATOM 0 HA LEU A 77 7.530 -9.143 3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.409 -10.077 3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.031 -10.941 2.977 1.00 0.00 H new ATOM 0 HG LEU A 77 9.804 -8.122 2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.649 -9.143 0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.548 -9.708 1.530 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.329 -10.760 0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.269 -8.522 0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.856 -10.114 0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.431 -8.630 1.856 1.00 0.00 H new ATOM 1243 N GLN A 78 9.393 -10.460 6.280 1.00 0.00 N ATOM 1244 CA GLN A 78 9.367 -11.375 7.415 1.00 0.00 C ATOM 1245 C GLN A 78 8.030 -11.301 8.144 1.00 0.00 C ATOM 1246 O GLN A 78 7.614 -12.255 8.801 1.00 0.00 O ATOM 1247 CB GLN A 78 10.507 -11.053 8.383 1.00 0.00 C ATOM 1248 CG GLN A 78 11.863 -10.931 7.707 1.00 0.00 C ATOM 1249 CD GLN A 78 13.006 -11.346 8.612 1.00 0.00 C ATOM 1250 OE1 GLN A 78 12.824 -11.534 9.815 1.00 0.00 O ATOM 1251 NE2 GLN A 78 14.194 -11.493 8.036 1.00 0.00 N ATOM 0 H GLN A 78 10.260 -9.932 6.183 1.00 0.00 H new ATOM 0 HA GLN A 78 9.497 -12.388 7.035 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.282 -10.119 8.898 1.00 0.00 H new ATOM 0 HB3 GLN A 78 10.558 -11.832 9.143 1.00 0.00 H new ATOM 0 HG2 GLN A 78 11.874 -11.548 6.809 1.00 0.00 H new ATOM 0 HG3 GLN A 78 12.014 -9.900 7.387 1.00 0.00 H new ATOM 0 HE21 GLN A 78 14.300 -11.327 7.035 1.00 0.00 H new ATOM 0 HE22 GLN A 78 15.001 -11.772 8.595 1.00 0.00 H new ATOM 1260 N LYS A 79 7.358 -10.160 8.023 1.00 0.00 N ATOM 1261 CA LYS A 79 6.067 -9.960 8.669 1.00 0.00 C ATOM 1262 C LYS A 79 4.924 -10.295 7.716 1.00 0.00 C ATOM 1263 O LYS A 79 4.156 -11.226 7.955 1.00 0.00 O ATOM 1264 CB LYS A 79 5.934 -8.515 9.154 1.00 0.00 C ATOM 1265 CG LYS A 79 4.564 -8.187 9.723 1.00 0.00 C ATOM 1266 CD LYS A 79 4.436 -6.710 10.053 1.00 0.00 C ATOM 1267 CE LYS A 79 3.463 -6.477 11.198 1.00 0.00 C ATOM 1268 NZ LYS A 79 3.959 -7.060 12.475 1.00 0.00 N ATOM 0 H LYS A 79 7.687 -9.360 7.483 1.00 0.00 H new ATOM 0 HA LYS A 79 6.010 -10.631 9.526 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.689 -8.326 9.917 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.144 -7.841 8.323 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.794 -8.468 9.005 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.392 -8.778 10.623 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.414 -6.309 10.318 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.098 -6.167 9.171 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.302 -5.407 11.326 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.497 -6.917 10.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.560 -6.531 13.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.667 -8.056 12.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.997 -7.001 12.504 1.00 0.00 H new ATOM 1282 N GLN A 80 4.819 -9.529 6.634 1.00 0.00 N ATOM 1283 CA GLN A 80 3.770 -9.745 5.645 1.00 0.00 C ATOM 1284 C GLN A 80 3.442 -11.229 5.514 1.00 0.00 C ATOM 1285 O GLN A 80 2.295 -11.602 5.269 1.00 0.00 O ATOM 1286 CB GLN A 80 4.196 -9.184 4.287 1.00 0.00 C ATOM 1287 CG GLN A 80 3.260 -9.562 3.151 1.00 0.00 C ATOM 1288 CD GLN A 80 3.952 -9.570 1.802 1.00 0.00 C ATOM 1289 OE1 GLN A 80 5.141 -9.267 1.700 1.00 0.00 O ATOM 1290 NE2 GLN A 80 3.210 -9.918 0.758 1.00 0.00 N ATOM 0 H GLN A 80 5.447 -8.754 6.421 1.00 0.00 H new ATOM 0 HA GLN A 80 2.875 -9.222 5.982 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.252 -8.098 4.354 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.199 -9.541 4.054 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.839 -10.549 3.345 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.427 -8.860 3.123 1.00 0.00 H new ATOM 0 HE21 GLN A 80 2.228 -10.162 0.889 1.00 0.00 H new ATOM 0 HE22 GLN A 80 3.622 -9.942 -0.175 1.00 0.00 H new ATOM 1299 N ARG A 81 4.457 -12.071 5.680 1.00 0.00 N ATOM 1300 CA ARG A 81 4.277 -13.514 5.578 1.00 0.00 C ATOM 1301 C ARG A 81 3.774 -14.093 6.898 1.00 0.00 C ATOM 1302 O ARG A 81 2.830 -14.882 6.919 1.00 0.00 O ATOM 1303 CB ARG A 81 5.593 -14.187 5.183 1.00 0.00 C ATOM 1304 CG ARG A 81 6.702 -14.005 6.207 1.00 0.00 C ATOM 1305 CD ARG A 81 8.045 -14.462 5.660 1.00 0.00 C ATOM 1306 NE ARG A 81 8.126 -15.916 5.551 1.00 0.00 N ATOM 1307 CZ ARG A 81 8.275 -16.724 6.594 1.00 0.00 C ATOM 1308 NH1 ARG A 81 8.360 -16.223 7.819 1.00 0.00 N ATOM 1309 NH2 ARG A 81 8.340 -18.037 6.414 1.00 0.00 N ATOM 0 H ARG A 81 5.412 -11.779 5.886 1.00 0.00 H new ATOM 0 HA ARG A 81 3.531 -13.709 4.807 1.00 0.00 H new ATOM 0 HB2 ARG A 81 5.417 -15.253 5.037 1.00 0.00 H new ATOM 0 HB3 ARG A 81 5.924 -13.784 4.226 1.00 0.00 H new ATOM 0 HG2 ARG A 81 6.763 -12.956 6.496 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.463 -14.570 7.108 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.208 -14.015 4.679 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.842 -14.102 6.310 1.00 0.00 H new ATOM 0 HE ARG A 81 8.065 -16.334 4.623 1.00 0.00 H new ATOM 0 HH11 ARG A 81 8.311 -15.214 7.962 1.00 0.00 H new ATOM 0 HH12 ARG A 81 8.474 -16.846 8.618 1.00 0.00 H new ATOM 0 HH21 ARG A 81 8.276 -18.427 5.474 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.454 -18.657 7.216 1.00 0.00 H new ATOM 1323 N GLU A 82 4.411 -13.695 7.994 1.00 0.00 N ATOM 1324 CA GLU A 82 4.028 -14.176 9.317 1.00 0.00 C ATOM 1325 C GLU A 82 2.531 -13.993 9.549 1.00 0.00 C ATOM 1326 O GLU A 82 1.883 -14.827 10.183 1.00 0.00 O ATOM 1327 CB GLU A 82 4.818 -13.439 10.400 1.00 0.00 C ATOM 1328 CG GLU A 82 4.113 -12.202 10.932 1.00 0.00 C ATOM 1329 CD GLU A 82 4.875 -11.538 12.063 1.00 0.00 C ATOM 1330 OE1 GLU A 82 6.117 -11.453 11.973 1.00 0.00 O ATOM 1331 OE2 GLU A 82 4.227 -11.103 13.038 1.00 0.00 O ATOM 0 H GLU A 82 5.194 -13.041 7.993 1.00 0.00 H new ATOM 0 HA GLU A 82 4.259 -15.240 9.371 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.009 -14.122 11.227 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.788 -13.149 9.996 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.979 -11.487 10.120 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.118 -12.477 11.282 1.00 0.00 H new ATOM 1338 N LEU A 83 1.988 -12.895 9.034 1.00 0.00 N ATOM 1339 CA LEU A 83 0.568 -12.601 9.185 1.00 0.00 C ATOM 1340 C LEU A 83 -0.268 -13.438 8.221 1.00 0.00 C ATOM 1341 O LEU A 83 -1.226 -14.095 8.627 1.00 0.00 O ATOM 1342 CB LEU A 83 0.307 -11.113 8.944 1.00 0.00 C ATOM 1343 CG LEU A 83 1.351 -10.148 9.507 1.00 0.00 C ATOM 1344 CD1 LEU A 83 1.328 -8.832 8.746 1.00 0.00 C ATOM 1345 CD2 LEU A 83 1.115 -9.913 10.992 1.00 0.00 C ATOM 0 H LEU A 83 2.510 -12.194 8.508 1.00 0.00 H new ATOM 0 HA LEU A 83 0.276 -12.855 10.204 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.231 -10.948 7.869 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.662 -10.860 9.375 1.00 0.00 H new ATOM 0 HG LEU A 83 2.336 -10.597 9.383 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.078 -8.158 9.161 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.548 -9.016 7.694 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.342 -8.377 8.836 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.867 -9.224 11.375 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.123 -9.486 11.140 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.185 -10.861 11.526 1.00 0.00 H new ATOM 1357 N GLN A 84 0.104 -13.409 6.946 1.00 0.00 N ATOM 1358 CA GLN A 84 -0.610 -14.167 5.925 1.00 0.00 C ATOM 1359 C GLN A 84 -0.812 -15.614 6.363 1.00 0.00 C ATOM 1360 O GLN A 84 -1.796 -16.255 5.992 1.00 0.00 O ATOM 1361 CB GLN A 84 0.153 -14.124 4.600 1.00 0.00 C ATOM 1362 CG GLN A 84 -0.062 -12.841 3.815 1.00 0.00 C ATOM 1363 CD GLN A 84 0.638 -12.854 2.471 1.00 0.00 C ATOM 1364 OE1 GLN A 84 1.002 -13.913 1.958 1.00 0.00 O ATOM 1365 NE2 GLN A 84 0.830 -11.675 1.891 1.00 0.00 N ATOM 0 H GLN A 84 0.895 -12.869 6.595 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.589 -13.709 5.787 1.00 0.00 H new ATOM 0 HB2 GLN A 84 1.218 -14.244 4.800 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.153 -14.971 3.986 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.130 -12.688 3.662 1.00 0.00 H new ATOM 0 HG3 GLN A 84 0.300 -11.996 4.401 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.512 -10.822 2.352 1.00 0.00 H new ATOM 0 HE22 GLN A 84 1.295 -11.622 0.985 1.00 0.00 H new ATOM 1374 N LYS A 85 0.126 -16.124 7.154 1.00 0.00 N ATOM 1375 CA LYS A 85 0.051 -17.495 7.644 1.00 0.00 C ATOM 1376 C LYS A 85 -0.568 -17.542 9.037 1.00 0.00 C ATOM 1377 O LYS A 85 -1.461 -18.346 9.303 1.00 0.00 O ATOM 1378 CB LYS A 85 1.446 -18.124 7.672 1.00 0.00 C ATOM 1379 CG LYS A 85 2.378 -17.493 8.692 1.00 0.00 C ATOM 1380 CD LYS A 85 3.818 -17.927 8.476 1.00 0.00 C ATOM 1381 CE LYS A 85 4.144 -19.187 9.263 1.00 0.00 C ATOM 1382 NZ LYS A 85 4.457 -18.885 10.687 1.00 0.00 N ATOM 0 H LYS A 85 0.947 -15.608 7.469 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.584 -18.064 6.965 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.351 -19.188 7.888 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.894 -18.039 6.682 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.310 -16.407 8.625 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.060 -17.771 9.697 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.990 -18.105 7.415 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.490 -17.124 8.778 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.299 -19.874 9.215 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.993 -19.693 8.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.674 -19.769 11.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.279 -18.249 10.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.637 -18.425 11.133 1.00 0.00 H new