USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=16 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= -0.87 K(o=-1.1,f=-2.8!) USER MOD Set 1.2: A 84 GLN : amide:sc= -0.227 X(o=-1.1,f=-1.6) USER MOD Set 2.1: A 26 CYS SG : rot -117:sc= -2.82! USER MOD Set 2.2: A 28 HIS : no HD1:sc= -0.314 X(o=-2,f=-2.1) USER MOD Set 2.3: A 53 TYR OH : rot 41:sc= 1.13 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0833) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -138:sc= -1.09 (180deg=-3.98!) USER MOD Single : A 37 CYS SG : rot 170:sc= -1.21 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=-0.0229) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.0117 X(o=-0.012,f=-0.22) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= -1.54 USER MOD Single : A 52 HIS : no HD1:sc= -0.534 X(o=-0.53,f=-0.2) USER MOD Single : A 54 SER OG : rot 170:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00271) USER MOD Single : A 72 TYR OH : rot -126:sc= 0.277 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN :FLIP amide:sc= -4.18! C(o=-7.2!,f=-4.2!) USER MOD Single : A 78 GLN : amide:sc= -0.01 X(o=-0.01,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -149:sc= -0.677 (180deg=-2.67!) USER MOD Single : A 85 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.766) USER MOD ----------------------------------------------------------------- ATOM 158 N PRO A 14 6.433 18.457 3.723 1.00 0.00 N ATOM 159 CA PRO A 14 7.375 17.360 3.969 1.00 0.00 C ATOM 160 C PRO A 14 7.736 16.610 2.691 1.00 0.00 C ATOM 161 O PRO A 14 7.080 16.765 1.661 1.00 0.00 O ATOM 162 CB PRO A 14 6.611 16.445 4.929 1.00 0.00 C ATOM 163 CG PRO A 14 5.174 16.725 4.657 1.00 0.00 C ATOM 164 CD PRO A 14 5.099 18.179 4.282 1.00 0.00 C ATOM 0 HA PRO A 14 8.325 17.719 4.366 1.00 0.00 H new ATOM 0 HB2 PRO A 14 6.850 15.397 4.751 1.00 0.00 H new ATOM 0 HB3 PRO A 14 6.866 16.659 5.967 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.799 16.094 3.851 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.563 16.516 5.535 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.311 18.366 3.553 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.887 18.807 5.148 1.00 0.00 H new ATOM 172 N LYS A 15 8.783 15.796 2.765 1.00 0.00 N ATOM 173 CA LYS A 15 9.231 15.019 1.616 1.00 0.00 C ATOM 174 C LYS A 15 8.941 13.535 1.815 1.00 0.00 C ATOM 175 O LYS A 15 9.221 12.958 2.866 1.00 0.00 O ATOM 176 CB LYS A 15 10.730 15.229 1.385 1.00 0.00 C ATOM 177 CG LYS A 15 11.267 14.495 0.169 1.00 0.00 C ATOM 178 CD LYS A 15 11.213 15.364 -1.076 1.00 0.00 C ATOM 179 CE LYS A 15 12.024 14.761 -2.213 1.00 0.00 C ATOM 180 NZ LYS A 15 11.425 13.491 -2.708 1.00 0.00 N ATOM 0 H LYS A 15 9.338 15.657 3.610 1.00 0.00 H new ATOM 0 HA LYS A 15 8.682 15.364 0.740 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.926 16.295 1.271 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.275 14.898 2.269 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.296 14.187 0.354 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.687 13.587 0.005 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.177 15.485 -1.391 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.594 16.358 -0.844 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.088 15.476 -3.033 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.043 14.574 -1.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.007 13.111 -3.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.387 12.799 -1.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.462 13.674 -3.056 1.00 0.00 H new ATOM 194 N PRO A 16 8.366 12.899 0.783 1.00 0.00 N ATOM 195 CA PRO A 16 8.027 11.474 0.820 1.00 0.00 C ATOM 196 C PRO A 16 9.265 10.583 0.807 1.00 0.00 C ATOM 197 O PRO A 16 10.328 10.986 0.334 1.00 0.00 O ATOM 198 CB PRO A 16 7.208 11.270 -0.457 1.00 0.00 C ATOM 199 CG PRO A 16 7.666 12.349 -1.376 1.00 0.00 C ATOM 200 CD PRO A 16 8.004 13.524 -0.501 1.00 0.00 C ATOM 0 HA PRO A 16 7.493 11.206 1.732 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.383 10.283 -0.886 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.139 11.346 -0.258 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.535 12.029 -1.951 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.887 12.608 -2.093 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.829 14.107 -0.911 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.157 14.202 -0.394 1.00 0.00 H new ATOM 208 N LYS A 17 9.120 9.369 1.327 1.00 0.00 N ATOM 209 CA LYS A 17 10.225 8.419 1.374 1.00 0.00 C ATOM 210 C LYS A 17 10.146 7.435 0.212 1.00 0.00 C ATOM 211 O LYS A 17 11.145 7.163 -0.454 1.00 0.00 O ATOM 212 CB LYS A 17 10.215 7.659 2.702 1.00 0.00 C ATOM 213 CG LYS A 17 10.521 8.533 3.906 1.00 0.00 C ATOM 214 CD LYS A 17 10.185 7.826 5.208 1.00 0.00 C ATOM 215 CE LYS A 17 11.170 6.707 5.506 1.00 0.00 C ATOM 216 NZ LYS A 17 12.502 7.234 5.915 1.00 0.00 N ATOM 0 H LYS A 17 8.247 9.020 1.722 1.00 0.00 H new ATOM 0 HA LYS A 17 11.157 8.979 1.290 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.238 7.196 2.839 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.946 6.852 2.654 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.577 8.805 3.900 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.953 9.460 3.837 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.192 8.546 6.026 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.176 7.418 5.152 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.771 6.074 6.298 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.284 6.079 4.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.084 6.456 6.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 12.975 7.658 5.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 12.378 7.956 6.653 1.00 0.00 H new ATOM 230 N PHE A 18 8.951 6.904 -0.028 1.00 0.00 N ATOM 231 CA PHE A 18 8.742 5.950 -1.111 1.00 0.00 C ATOM 232 C PHE A 18 8.496 6.672 -2.432 1.00 0.00 C ATOM 233 O PHE A 18 7.983 7.791 -2.453 1.00 0.00 O ATOM 234 CB PHE A 18 7.559 5.034 -0.790 1.00 0.00 C ATOM 235 CG PHE A 18 7.632 4.417 0.578 1.00 0.00 C ATOM 236 CD1 PHE A 18 7.187 5.113 1.690 1.00 0.00 C ATOM 237 CD2 PHE A 18 8.146 3.142 0.751 1.00 0.00 C ATOM 238 CE1 PHE A 18 7.254 4.549 2.950 1.00 0.00 C ATOM 239 CE2 PHE A 18 8.215 2.572 2.008 1.00 0.00 C ATOM 240 CZ PHE A 18 7.767 3.276 3.109 1.00 0.00 C ATOM 0 H PHE A 18 8.113 7.118 0.513 1.00 0.00 H new ATOM 0 HA PHE A 18 9.644 5.347 -1.210 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.634 5.605 -0.873 1.00 0.00 H new ATOM 0 HB3 PHE A 18 7.512 4.240 -1.536 1.00 0.00 H new ATOM 0 HD1 PHE A 18 6.783 6.108 1.571 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.497 2.587 -0.107 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.906 5.103 3.809 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.619 1.578 2.129 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.818 2.832 4.092 1.00 0.00 H new ATOM 250 N GLN A 19 8.866 6.024 -3.532 1.00 0.00 N ATOM 251 CA GLN A 19 8.687 6.605 -4.857 1.00 0.00 C ATOM 252 C GLN A 19 7.637 5.835 -5.652 1.00 0.00 C ATOM 253 O GLN A 19 7.285 4.709 -5.304 1.00 0.00 O ATOM 254 CB GLN A 19 10.015 6.612 -5.617 1.00 0.00 C ATOM 255 CG GLN A 19 10.928 7.766 -5.235 1.00 0.00 C ATOM 256 CD GLN A 19 12.391 7.462 -5.492 1.00 0.00 C ATOM 257 OE1 GLN A 19 13.057 6.821 -4.678 1.00 0.00 O ATOM 258 NE2 GLN A 19 12.900 7.921 -6.630 1.00 0.00 N ATOM 0 H GLN A 19 9.291 5.097 -3.532 1.00 0.00 H new ATOM 0 HA GLN A 19 8.342 7.631 -4.733 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.535 5.672 -5.432 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.812 6.659 -6.687 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.641 8.654 -5.799 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.789 8.000 -4.179 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.312 8.448 -7.276 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.879 7.747 -6.858 1.00 0.00 H new ATOM 267 N GLU A 20 7.141 6.452 -6.720 1.00 0.00 N ATOM 268 CA GLU A 20 6.130 5.824 -7.563 1.00 0.00 C ATOM 269 C GLU A 20 6.742 4.712 -8.410 1.00 0.00 C ATOM 270 O GLU A 20 7.720 4.929 -9.125 1.00 0.00 O ATOM 271 CB GLU A 20 5.470 6.866 -8.468 1.00 0.00 C ATOM 272 CG GLU A 20 4.676 7.916 -7.709 1.00 0.00 C ATOM 273 CD GLU A 20 4.571 9.227 -8.464 1.00 0.00 C ATOM 274 OE1 GLU A 20 5.519 9.561 -9.206 1.00 0.00 O ATOM 275 OE2 GLU A 20 3.543 9.918 -8.313 1.00 0.00 O ATOM 0 H GLU A 20 7.422 7.385 -7.022 1.00 0.00 H new ATOM 0 HA GLU A 20 5.372 5.386 -6.913 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.240 7.362 -9.059 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.808 6.358 -9.169 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.675 7.535 -7.509 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.148 8.094 -6.743 1.00 0.00 H new ATOM 282 N GLY A 21 6.159 3.521 -8.325 1.00 0.00 N ATOM 283 CA GLY A 21 6.660 2.393 -9.088 1.00 0.00 C ATOM 284 C GLY A 21 7.362 1.369 -8.217 1.00 0.00 C ATOM 285 O GLY A 21 7.498 0.208 -8.600 1.00 0.00 O ATOM 0 H GLY A 21 5.348 3.317 -7.741 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.831 1.914 -9.610 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.352 2.752 -9.850 1.00 0.00 H new ATOM 289 N GLU A 22 7.810 1.802 -7.042 1.00 0.00 N ATOM 290 CA GLU A 22 8.504 0.914 -6.117 1.00 0.00 C ATOM 291 C GLU A 22 7.509 0.088 -5.306 1.00 0.00 C ATOM 292 O GLU A 22 6.609 0.633 -4.667 1.00 0.00 O ATOM 293 CB GLU A 22 9.400 1.722 -5.175 1.00 0.00 C ATOM 294 CG GLU A 22 10.003 0.897 -4.052 1.00 0.00 C ATOM 295 CD GLU A 22 11.280 1.504 -3.502 1.00 0.00 C ATOM 296 OE1 GLU A 22 12.266 1.599 -4.261 1.00 0.00 O ATOM 297 OE2 GLU A 22 11.291 1.884 -2.313 1.00 0.00 O ATOM 0 H GLU A 22 7.705 2.760 -6.709 1.00 0.00 H new ATOM 0 HA GLU A 22 9.123 0.234 -6.702 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.205 2.176 -5.753 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.818 2.537 -4.744 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.275 0.800 -3.246 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.211 -0.109 -4.417 1.00 0.00 H new ATOM 304 N ARG A 23 7.679 -1.229 -5.338 1.00 0.00 N ATOM 305 CA ARG A 23 6.796 -2.131 -4.608 1.00 0.00 C ATOM 306 C ARG A 23 6.795 -1.803 -3.118 1.00 0.00 C ATOM 307 O ARG A 23 7.822 -1.424 -2.554 1.00 0.00 O ATOM 308 CB ARG A 23 7.226 -3.584 -4.821 1.00 0.00 C ATOM 309 CG ARG A 23 6.109 -4.589 -4.596 1.00 0.00 C ATOM 310 CD ARG A 23 6.396 -5.908 -5.297 1.00 0.00 C ATOM 311 NE ARG A 23 5.897 -5.919 -6.669 1.00 0.00 N ATOM 312 CZ ARG A 23 6.384 -6.705 -7.622 1.00 0.00 C ATOM 313 NH1 ARG A 23 7.378 -7.540 -7.354 1.00 0.00 N ATOM 314 NH2 ARG A 23 5.876 -6.658 -8.847 1.00 0.00 N ATOM 0 H ARG A 23 8.420 -1.696 -5.861 1.00 0.00 H new ATOM 0 HA ARG A 23 5.785 -1.999 -4.992 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.605 -3.697 -5.837 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.050 -3.813 -4.146 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.985 -4.763 -3.527 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.169 -4.178 -4.963 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.471 -6.090 -5.301 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.937 -6.723 -4.738 1.00 0.00 H new ATOM 0 HE ARG A 23 5.132 -5.288 -6.909 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.771 -7.580 -6.414 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.750 -8.143 -8.088 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.111 -6.018 -9.057 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.251 -7.262 -9.578 1.00 0.00 H new ATOM 328 N VAL A 24 5.635 -1.950 -2.485 1.00 0.00 N ATOM 329 CA VAL A 24 5.500 -1.671 -1.061 1.00 0.00 C ATOM 330 C VAL A 24 4.369 -2.487 -0.445 1.00 0.00 C ATOM 331 O VAL A 24 3.529 -3.040 -1.156 1.00 0.00 O ATOM 332 CB VAL A 24 5.236 -0.175 -0.805 1.00 0.00 C ATOM 333 CG1 VAL A 24 6.443 0.657 -1.211 1.00 0.00 C ATOM 334 CG2 VAL A 24 3.990 0.281 -1.550 1.00 0.00 C ATOM 0 H VAL A 24 4.775 -2.261 -2.937 1.00 0.00 H new ATOM 0 HA VAL A 24 6.444 -1.952 -0.593 1.00 0.00 H new ATOM 0 HB VAL A 24 5.067 -0.031 0.262 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.238 1.711 -1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.311 0.347 -0.629 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.646 0.510 -2.272 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.818 1.340 -1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.128 0.124 -2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.130 -0.294 -1.207 1.00 0.00 H new ATOM 344 N LEU A 25 4.353 -2.559 0.881 1.00 0.00 N ATOM 345 CA LEU A 25 3.325 -3.308 1.595 1.00 0.00 C ATOM 346 C LEU A 25 2.409 -2.370 2.374 1.00 0.00 C ATOM 347 O LEU A 25 2.869 -1.590 3.210 1.00 0.00 O ATOM 348 CB LEU A 25 3.969 -4.317 2.547 1.00 0.00 C ATOM 349 CG LEU A 25 4.819 -5.408 1.894 1.00 0.00 C ATOM 350 CD1 LEU A 25 5.708 -6.083 2.927 1.00 0.00 C ATOM 351 CD2 LEU A 25 3.932 -6.432 1.201 1.00 0.00 C ATOM 0 H LEU A 25 5.041 -2.108 1.484 1.00 0.00 H new ATOM 0 HA LEU A 25 2.725 -3.844 0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.594 -3.772 3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.179 -4.797 3.125 1.00 0.00 H new ATOM 0 HG LEU A 25 5.458 -4.943 1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.305 -6.856 2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.369 -5.343 3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.088 -6.535 3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.554 -7.201 0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.267 -6.892 1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.339 -5.938 0.432 1.00 0.00 H new ATOM 363 N CYS A 26 1.113 -2.451 2.097 1.00 0.00 N ATOM 364 CA CYS A 26 0.132 -1.610 2.773 1.00 0.00 C ATOM 365 C CYS A 26 -0.526 -2.361 3.926 1.00 0.00 C ATOM 366 O CYS A 26 -0.661 -3.584 3.888 1.00 0.00 O ATOM 367 CB CYS A 26 -0.933 -1.136 1.783 1.00 0.00 C ATOM 368 SG CYS A 26 -2.351 -0.324 2.558 1.00 0.00 S ATOM 0 H CYS A 26 0.717 -3.091 1.409 1.00 0.00 H new ATOM 0 HA CYS A 26 0.652 -0.742 3.179 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.474 -0.445 1.075 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.287 -1.992 1.209 1.00 0.00 H new ATOM 0 HG CYS A 26 -3.427 -1.017 2.328 1.00 0.00 H new ATOM 374 N PHE A 27 -0.932 -1.621 4.953 1.00 0.00 N ATOM 375 CA PHE A 27 -1.573 -2.217 6.119 1.00 0.00 C ATOM 376 C PHE A 27 -3.093 -2.147 5.999 1.00 0.00 C ATOM 377 O PHE A 27 -3.693 -1.086 6.176 1.00 0.00 O ATOM 378 CB PHE A 27 -1.118 -1.508 7.396 1.00 0.00 C ATOM 379 CG PHE A 27 0.101 -2.124 8.022 1.00 0.00 C ATOM 380 CD1 PHE A 27 0.088 -3.444 8.442 1.00 0.00 C ATOM 381 CD2 PHE A 27 1.259 -1.382 8.190 1.00 0.00 C ATOM 382 CE1 PHE A 27 1.207 -4.014 9.018 1.00 0.00 C ATOM 383 CE2 PHE A 27 2.382 -1.947 8.765 1.00 0.00 C ATOM 384 CZ PHE A 27 2.356 -3.264 9.181 1.00 0.00 C ATOM 0 H PHE A 27 -0.828 -0.607 5.001 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.278 -3.265 6.169 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.910 -0.463 7.167 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.934 -1.520 8.119 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.808 -4.035 8.318 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.285 -0.351 7.868 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.184 -5.044 9.340 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.279 -1.359 8.889 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.232 -3.706 9.633 1.00 0.00 H new ATOM 394 N HIS A 28 -3.709 -3.285 5.697 1.00 0.00 N ATOM 395 CA HIS A 28 -5.159 -3.354 5.553 1.00 0.00 C ATOM 396 C HIS A 28 -5.794 -4.028 6.766 1.00 0.00 C ATOM 397 O HIS A 28 -6.890 -4.581 6.678 1.00 0.00 O ATOM 398 CB HIS A 28 -5.531 -4.114 4.280 1.00 0.00 C ATOM 399 CG HIS A 28 -6.967 -3.954 3.884 1.00 0.00 C ATOM 400 ND1 HIS A 28 -7.812 -5.022 3.671 1.00 0.00 N ATOM 401 CD2 HIS A 28 -7.706 -2.841 3.664 1.00 0.00 C ATOM 402 CE1 HIS A 28 -9.009 -4.573 3.336 1.00 0.00 C ATOM 403 NE2 HIS A 28 -8.971 -3.253 3.325 1.00 0.00 N ATOM 0 H HIS A 28 -3.227 -4.172 5.547 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.541 -2.336 5.484 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.897 -3.770 3.463 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -5.318 -5.173 4.424 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.364 -1.819 3.741 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -9.872 -5.182 3.110 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.754 -2.639 3.101 1.00 0.00 H new ATOM 412 N GLY A 29 -5.097 -3.979 7.897 1.00 0.00 N ATOM 413 CA GLY A 29 -5.608 -4.590 9.110 1.00 0.00 C ATOM 414 C GLY A 29 -4.593 -5.500 9.773 1.00 0.00 C ATOM 415 O GLY A 29 -3.387 -5.254 9.733 1.00 0.00 O ATOM 0 H GLY A 29 -4.188 -3.527 7.995 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.903 -3.809 9.810 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.505 -5.162 8.875 1.00 0.00 H new ATOM 419 N PRO A 30 -5.082 -6.579 10.402 1.00 0.00 N ATOM 420 CA PRO A 30 -4.225 -7.550 11.089 1.00 0.00 C ATOM 421 C PRO A 30 -3.388 -8.374 10.118 1.00 0.00 C ATOM 422 O PRO A 30 -2.659 -9.281 10.524 1.00 0.00 O ATOM 423 CB PRO A 30 -5.225 -8.445 11.826 1.00 0.00 C ATOM 424 CG PRO A 30 -6.485 -8.334 11.039 1.00 0.00 C ATOM 425 CD PRO A 30 -6.508 -6.935 10.489 1.00 0.00 C ATOM 0 HA PRO A 30 -3.502 -7.064 11.744 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.875 -9.476 11.870 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.370 -8.113 12.854 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.509 -9.070 10.235 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.356 -8.520 11.668 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.992 -6.895 9.513 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.053 -6.255 11.144 1.00 0.00 H new ATOM 433 N LEU A 31 -3.495 -8.054 8.833 1.00 0.00 N ATOM 434 CA LEU A 31 -2.746 -8.765 7.802 1.00 0.00 C ATOM 435 C LEU A 31 -2.210 -7.797 6.752 1.00 0.00 C ATOM 436 O LEU A 31 -2.822 -6.765 6.474 1.00 0.00 O ATOM 437 CB LEU A 31 -3.632 -9.819 7.136 1.00 0.00 C ATOM 438 CG LEU A 31 -4.270 -10.848 8.070 1.00 0.00 C ATOM 439 CD1 LEU A 31 -5.600 -11.327 7.508 1.00 0.00 C ATOM 440 CD2 LEU A 31 -3.328 -12.023 8.291 1.00 0.00 C ATOM 0 H LEU A 31 -4.093 -7.307 8.480 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.899 -9.259 8.279 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.428 -9.307 6.595 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.035 -10.351 6.396 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.456 -10.371 9.032 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.039 -12.059 8.186 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.277 -10.479 7.402 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.439 -11.787 6.533 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.798 -12.746 8.958 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.110 -12.500 7.335 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.400 -11.666 8.738 1.00 0.00 H new ATOM 452 N LEU A 32 -1.065 -8.137 6.171 1.00 0.00 N ATOM 453 CA LEU A 32 -0.447 -7.299 5.149 1.00 0.00 C ATOM 454 C LEU A 32 -0.917 -7.704 3.756 1.00 0.00 C ATOM 455 O LEU A 32 -1.373 -8.828 3.545 1.00 0.00 O ATOM 456 CB LEU A 32 1.077 -7.397 5.235 1.00 0.00 C ATOM 457 CG LEU A 32 1.766 -6.375 6.140 1.00 0.00 C ATOM 458 CD1 LEU A 32 3.269 -6.601 6.153 1.00 0.00 C ATOM 459 CD2 LEU A 32 1.441 -4.959 5.688 1.00 0.00 C ATOM 0 H LEU A 32 -0.546 -8.987 6.390 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.749 -6.267 5.328 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.338 -8.396 5.585 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.485 -7.295 4.229 1.00 0.00 H new ATOM 0 HG LEU A 32 1.392 -6.506 7.155 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.742 -5.864 6.802 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.483 -7.603 6.525 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.661 -6.498 5.141 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.939 -4.245 6.343 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.787 -4.815 4.664 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.363 -4.801 5.732 1.00 0.00 H new ATOM 471 N TYR A 33 -0.802 -6.781 2.807 1.00 0.00 N ATOM 472 CA TYR A 33 -1.215 -7.042 1.433 1.00 0.00 C ATOM 473 C TYR A 33 -0.193 -6.491 0.443 1.00 0.00 C ATOM 474 O TYR A 33 0.409 -5.443 0.675 1.00 0.00 O ATOM 475 CB TYR A 33 -2.587 -6.421 1.165 1.00 0.00 C ATOM 476 CG TYR A 33 -3.707 -7.066 1.949 1.00 0.00 C ATOM 477 CD1 TYR A 33 -3.781 -6.935 3.330 1.00 0.00 C ATOM 478 CD2 TYR A 33 -4.693 -7.807 1.308 1.00 0.00 C ATOM 479 CE1 TYR A 33 -4.802 -7.523 4.050 1.00 0.00 C ATOM 480 CE2 TYR A 33 -5.719 -8.398 2.020 1.00 0.00 C ATOM 481 CZ TYR A 33 -5.769 -8.253 3.391 1.00 0.00 C ATOM 482 OH TYR A 33 -6.788 -8.840 4.105 1.00 0.00 O ATOM 0 H TYR A 33 -0.426 -5.846 2.964 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.279 -8.122 1.298 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.550 -5.359 1.408 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.809 -6.497 0.101 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.027 -6.363 3.850 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.656 -7.923 0.235 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.843 -7.412 5.123 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.477 -8.970 1.506 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.385 -9.316 3.491 1.00 0.00 H new ATOM 492 N GLU A 34 -0.003 -7.207 -0.661 1.00 0.00 N ATOM 493 CA GLU A 34 0.946 -6.791 -1.686 1.00 0.00 C ATOM 494 C GLU A 34 0.419 -5.584 -2.458 1.00 0.00 C ATOM 495 O GLU A 34 -0.748 -5.545 -2.847 1.00 0.00 O ATOM 496 CB GLU A 34 1.227 -7.944 -2.651 1.00 0.00 C ATOM 497 CG GLU A 34 2.328 -7.644 -3.655 1.00 0.00 C ATOM 498 CD GLU A 34 2.609 -8.813 -4.579 1.00 0.00 C ATOM 499 OE1 GLU A 34 1.681 -9.236 -5.300 1.00 0.00 O ATOM 500 OE2 GLU A 34 3.757 -9.304 -4.582 1.00 0.00 O ATOM 0 H GLU A 34 -0.493 -8.077 -0.868 1.00 0.00 H new ATOM 0 HA GLU A 34 1.875 -6.507 -1.191 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.502 -8.828 -2.076 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.311 -8.186 -3.190 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.045 -6.775 -4.250 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.241 -7.381 -3.120 1.00 0.00 H new ATOM 507 N ALA A 35 1.288 -4.602 -2.675 1.00 0.00 N ATOM 508 CA ALA A 35 0.911 -3.396 -3.401 1.00 0.00 C ATOM 509 C ALA A 35 2.143 -2.634 -3.876 1.00 0.00 C ATOM 510 O ALA A 35 3.276 -3.024 -3.592 1.00 0.00 O ATOM 511 CB ALA A 35 0.041 -2.504 -2.527 1.00 0.00 C ATOM 0 H ALA A 35 2.257 -4.618 -2.358 1.00 0.00 H new ATOM 0 HA ALA A 35 0.339 -3.694 -4.280 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.233 -1.607 -3.082 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.862 -3.044 -2.241 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.594 -2.222 -1.631 1.00 0.00 H new ATOM 517 N LYS A 36 1.916 -1.544 -4.602 1.00 0.00 N ATOM 518 CA LYS A 36 3.008 -0.726 -5.117 1.00 0.00 C ATOM 519 C LYS A 36 2.620 0.749 -5.135 1.00 0.00 C ATOM 520 O LYS A 36 1.461 1.093 -5.373 1.00 0.00 O ATOM 521 CB LYS A 36 3.392 -1.180 -6.526 1.00 0.00 C ATOM 522 CG LYS A 36 4.445 -0.304 -7.182 1.00 0.00 C ATOM 523 CD LYS A 36 3.813 0.832 -7.969 1.00 0.00 C ATOM 524 CE LYS A 36 3.533 0.425 -9.408 1.00 0.00 C ATOM 525 NZ LYS A 36 4.707 -0.246 -10.033 1.00 0.00 N ATOM 0 H LYS A 36 0.985 -1.207 -4.847 1.00 0.00 H new ATOM 0 HA LYS A 36 3.865 -0.851 -4.456 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.761 -2.205 -6.480 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.499 -1.190 -7.151 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.107 0.105 -6.418 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.061 -0.910 -7.847 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.883 1.136 -7.488 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.476 1.697 -7.957 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.674 -0.246 -9.435 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.267 1.307 -9.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.828 0.101 -11.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.563 -0.034 -9.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.551 -1.274 -10.049 1.00 0.00 H new ATOM 539 N CYS A 37 3.595 1.616 -4.883 1.00 0.00 N ATOM 540 CA CYS A 37 3.355 3.054 -4.872 1.00 0.00 C ATOM 541 C CYS A 37 2.894 3.540 -6.242 1.00 0.00 C ATOM 542 O CYS A 37 3.672 3.569 -7.196 1.00 0.00 O ATOM 543 CB CYS A 37 4.623 3.800 -4.452 1.00 0.00 C ATOM 544 SG CYS A 37 4.451 5.600 -4.443 1.00 0.00 S ATOM 0 H CYS A 37 4.559 1.348 -4.684 1.00 0.00 H new ATOM 0 HA CYS A 37 2.565 3.260 -4.150 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.913 3.468 -3.455 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.433 3.526 -5.128 1.00 0.00 H new ATOM 0 HG CYS A 37 5.493 6.133 -3.876 1.00 0.00 H new ATOM 550 N VAL A 38 1.624 3.920 -6.333 1.00 0.00 N ATOM 551 CA VAL A 38 1.059 4.404 -7.587 1.00 0.00 C ATOM 552 C VAL A 38 1.218 5.915 -7.715 1.00 0.00 C ATOM 553 O VAL A 38 1.561 6.426 -8.780 1.00 0.00 O ATOM 554 CB VAL A 38 -0.434 4.044 -7.706 1.00 0.00 C ATOM 555 CG1 VAL A 38 -0.912 4.215 -9.140 1.00 0.00 C ATOM 556 CG2 VAL A 38 -0.680 2.624 -7.219 1.00 0.00 C ATOM 0 H VAL A 38 0.967 3.902 -5.553 1.00 0.00 H new ATOM 0 HA VAL A 38 1.608 3.915 -8.391 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.005 4.724 -7.074 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.969 3.956 -9.205 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.773 5.251 -9.449 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.337 3.561 -9.796 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.740 2.387 -7.310 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.099 1.927 -7.822 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.378 2.540 -6.175 1.00 0.00 H new ATOM 566 N LYS A 39 0.966 6.625 -6.620 1.00 0.00 N ATOM 567 CA LYS A 39 1.082 8.078 -6.607 1.00 0.00 C ATOM 568 C LYS A 39 1.574 8.572 -5.251 1.00 0.00 C ATOM 569 O LYS A 39 1.624 7.813 -4.283 1.00 0.00 O ATOM 570 CB LYS A 39 -0.267 8.722 -6.938 1.00 0.00 C ATOM 571 CG LYS A 39 -0.759 8.415 -8.342 1.00 0.00 C ATOM 572 CD LYS A 39 -2.074 9.117 -8.637 1.00 0.00 C ATOM 573 CE LYS A 39 -2.426 9.043 -10.115 1.00 0.00 C ATOM 574 NZ LYS A 39 -3.466 10.041 -10.488 1.00 0.00 N ATOM 0 H LYS A 39 0.680 6.217 -5.730 1.00 0.00 H new ATOM 0 HA LYS A 39 1.810 8.366 -7.365 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.010 8.379 -6.218 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.183 9.802 -6.819 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.008 8.727 -9.068 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.886 7.339 -8.457 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.871 8.662 -8.049 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.008 10.161 -8.330 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.529 9.213 -10.711 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.782 8.041 -10.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.678 9.959 -11.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.331 9.863 -9.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.117 10.999 -10.284 1.00 0.00 H new ATOM 588 N VAL A 40 1.936 9.850 -5.187 1.00 0.00 N ATOM 589 CA VAL A 40 2.422 10.446 -3.949 1.00 0.00 C ATOM 590 C VAL A 40 1.811 11.825 -3.726 1.00 0.00 C ATOM 591 O VAL A 40 2.181 12.793 -4.389 1.00 0.00 O ATOM 592 CB VAL A 40 3.957 10.571 -3.950 1.00 0.00 C ATOM 593 CG1 VAL A 40 4.449 11.128 -2.623 1.00 0.00 C ATOM 594 CG2 VAL A 40 4.601 9.224 -4.244 1.00 0.00 C ATOM 0 H VAL A 40 1.902 10.492 -5.979 1.00 0.00 H new ATOM 0 HA VAL A 40 2.120 9.782 -3.139 1.00 0.00 H new ATOM 0 HB VAL A 40 4.247 11.266 -4.738 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.536 11.209 -2.643 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.015 12.114 -2.459 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.150 10.461 -1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.686 9.331 -4.241 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.305 8.505 -3.480 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.274 8.870 -5.222 1.00 0.00 H new ATOM 604 N ALA A 41 0.874 11.906 -2.787 1.00 0.00 N ATOM 605 CA ALA A 41 0.213 13.167 -2.474 1.00 0.00 C ATOM 606 C ALA A 41 0.561 13.634 -1.065 1.00 0.00 C ATOM 607 O ALA A 41 0.935 12.831 -0.209 1.00 0.00 O ATOM 608 CB ALA A 41 -1.294 13.026 -2.629 1.00 0.00 C ATOM 0 H ALA A 41 0.556 11.113 -2.230 1.00 0.00 H new ATOM 0 HA ALA A 41 0.570 13.920 -3.176 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.775 13.975 -2.392 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.530 12.746 -3.656 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.659 12.255 -1.950 1.00 0.00 H new ATOM 614 N ILE A 42 0.435 14.936 -0.830 1.00 0.00 N ATOM 615 CA ILE A 42 0.736 15.509 0.476 1.00 0.00 C ATOM 616 C ILE A 42 -0.287 16.574 0.858 1.00 0.00 C ATOM 617 O ILE A 42 -0.352 17.638 0.242 1.00 0.00 O ATOM 618 CB ILE A 42 2.144 16.131 0.507 1.00 0.00 C ATOM 619 CG1 ILE A 42 3.200 15.074 0.180 1.00 0.00 C ATOM 620 CG2 ILE A 42 2.417 16.757 1.867 1.00 0.00 C ATOM 621 CD1 ILE A 42 4.553 15.657 -0.162 1.00 0.00 C ATOM 0 H ILE A 42 0.127 15.614 -1.527 1.00 0.00 H new ATOM 0 HA ILE A 42 0.693 14.692 1.196 1.00 0.00 H new ATOM 0 HB ILE A 42 2.195 16.915 -0.249 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.307 14.404 1.033 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.851 14.471 -0.658 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.416 17.192 1.873 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.680 17.536 2.063 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.350 15.991 2.640 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.252 14.850 -0.383 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.460 16.305 -1.034 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.924 16.237 0.683 1.00 0.00 H new ATOM 633 N LYS A 43 -1.085 16.281 1.879 1.00 0.00 N ATOM 634 CA LYS A 43 -2.104 17.213 2.347 1.00 0.00 C ATOM 635 C LYS A 43 -2.372 17.023 3.837 1.00 0.00 C ATOM 636 O LYS A 43 -1.857 16.092 4.456 1.00 0.00 O ATOM 637 CB LYS A 43 -3.400 17.023 1.556 1.00 0.00 C ATOM 638 CG LYS A 43 -3.450 17.827 0.268 1.00 0.00 C ATOM 639 CD LYS A 43 -4.781 17.657 -0.444 1.00 0.00 C ATOM 640 CE LYS A 43 -5.806 18.671 0.040 1.00 0.00 C ATOM 641 NZ LYS A 43 -5.559 20.024 -0.532 1.00 0.00 N ATOM 0 H LYS A 43 -1.046 15.404 2.399 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.735 18.226 2.189 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.520 15.966 1.319 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.244 17.307 2.184 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.287 18.882 0.490 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.641 17.511 -0.391 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.637 17.769 -1.519 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.158 16.648 -0.276 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.806 18.337 -0.236 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.777 18.726 1.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.359 20.649 -0.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.686 20.418 -0.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.460 19.952 -1.565 1.00 0.00 H new ATOM 655 N ASP A 44 -3.182 17.910 4.405 1.00 0.00 N ATOM 656 CA ASP A 44 -3.521 17.838 5.821 1.00 0.00 C ATOM 657 C ASP A 44 -2.274 17.597 6.667 1.00 0.00 C ATOM 658 O ASP A 44 -2.329 16.925 7.697 1.00 0.00 O ATOM 659 CB ASP A 44 -4.542 16.726 6.068 1.00 0.00 C ATOM 660 CG ASP A 44 -5.447 17.022 7.247 1.00 0.00 C ATOM 661 OD1 ASP A 44 -6.500 17.660 7.040 1.00 0.00 O ATOM 662 OD2 ASP A 44 -5.102 16.616 8.377 1.00 0.00 O ATOM 0 H ASP A 44 -3.616 18.687 3.906 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.958 18.793 6.113 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.149 16.589 5.173 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.017 15.787 6.244 1.00 0.00 H new ATOM 667 N LYS A 45 -1.150 18.150 6.224 1.00 0.00 N ATOM 668 CA LYS A 45 0.112 17.996 6.939 1.00 0.00 C ATOM 669 C LYS A 45 0.497 16.525 7.054 1.00 0.00 C ATOM 670 O LYS A 45 1.049 16.096 8.067 1.00 0.00 O ATOM 671 CB LYS A 45 0.010 18.618 8.334 1.00 0.00 C ATOM 672 CG LYS A 45 -0.289 20.107 8.315 1.00 0.00 C ATOM 673 CD LYS A 45 0.959 20.923 8.021 1.00 0.00 C ATOM 674 CE LYS A 45 0.738 22.401 8.304 1.00 0.00 C ATOM 675 NZ LYS A 45 1.088 22.755 9.708 1.00 0.00 N ATOM 0 H LYS A 45 -1.087 18.709 5.373 1.00 0.00 H new ATOM 0 HA LYS A 45 0.887 18.512 6.373 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.772 18.106 8.895 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.946 18.451 8.867 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.048 20.317 7.561 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.703 20.408 9.277 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.787 20.555 8.627 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.245 20.790 6.978 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.341 22.996 7.618 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.305 22.655 8.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.924 23.770 9.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.495 22.206 10.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.090 22.536 9.882 1.00 0.00 H new ATOM 689 N GLN A 46 0.202 15.757 6.009 1.00 0.00 N ATOM 690 CA GLN A 46 0.519 14.334 5.994 1.00 0.00 C ATOM 691 C GLN A 46 0.854 13.866 4.582 1.00 0.00 C ATOM 692 O GLN A 46 0.316 14.382 3.602 1.00 0.00 O ATOM 693 CB GLN A 46 -0.654 13.523 6.548 1.00 0.00 C ATOM 694 CG GLN A 46 -1.794 13.348 5.558 1.00 0.00 C ATOM 695 CD GLN A 46 -2.705 12.190 5.916 1.00 0.00 C ATOM 696 OE1 GLN A 46 -2.282 11.034 5.929 1.00 0.00 O ATOM 697 NE2 GLN A 46 -3.963 12.496 6.210 1.00 0.00 N ATOM 0 H GLN A 46 -0.256 16.096 5.163 1.00 0.00 H new ATOM 0 HA GLN A 46 1.392 14.175 6.627 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.294 12.540 6.852 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.034 14.015 7.444 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.379 14.267 5.517 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.383 13.187 4.561 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -4.270 13.468 6.186 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -4.622 11.759 6.459 1.00 0.00 H new ATOM 706 N VAL A 47 1.746 12.886 4.485 1.00 0.00 N ATOM 707 CA VAL A 47 2.153 12.347 3.192 1.00 0.00 C ATOM 708 C VAL A 47 1.450 11.026 2.902 1.00 0.00 C ATOM 709 O VAL A 47 1.567 10.066 3.664 1.00 0.00 O ATOM 710 CB VAL A 47 3.677 12.130 3.129 1.00 0.00 C ATOM 711 CG1 VAL A 47 4.126 11.912 1.692 1.00 0.00 C ATOM 712 CG2 VAL A 47 4.409 13.309 3.752 1.00 0.00 C ATOM 0 H VAL A 47 2.201 12.449 5.286 1.00 0.00 H new ATOM 0 HA VAL A 47 1.867 13.081 2.438 1.00 0.00 H new ATOM 0 HB VAL A 47 3.923 11.236 3.701 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.205 11.761 1.667 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.627 11.033 1.284 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.868 12.786 1.094 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.484 13.139 3.699 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.159 14.221 3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.109 13.414 4.795 1.00 0.00 H new ATOM 722 N LYS A 48 0.719 10.983 1.793 1.00 0.00 N ATOM 723 CA LYS A 48 -0.003 9.779 1.399 1.00 0.00 C ATOM 724 C LYS A 48 0.581 9.188 0.120 1.00 0.00 C ATOM 725 O LYS A 48 1.407 9.816 -0.544 1.00 0.00 O ATOM 726 CB LYS A 48 -1.487 10.092 1.197 1.00 0.00 C ATOM 727 CG LYS A 48 -2.251 10.282 2.496 1.00 0.00 C ATOM 728 CD LYS A 48 -3.706 9.868 2.353 1.00 0.00 C ATOM 729 CE LYS A 48 -4.589 10.573 3.372 1.00 0.00 C ATOM 730 NZ LYS A 48 -6.012 10.148 3.262 1.00 0.00 N ATOM 0 H LYS A 48 0.611 11.768 1.151 1.00 0.00 H new ATOM 0 HA LYS A 48 0.102 9.045 2.198 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.580 10.996 0.595 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.947 9.282 0.630 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.781 9.695 3.285 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.197 11.327 2.801 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.054 10.100 1.346 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.792 8.789 2.480 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.224 10.362 4.377 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.520 11.651 3.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.580 10.651 3.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.369 10.373 2.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.082 9.123 3.425 1.00 0.00 H new ATOM 744 N TYR A 49 0.146 7.981 -0.222 1.00 0.00 N ATOM 745 CA TYR A 49 0.627 7.306 -1.421 1.00 0.00 C ATOM 746 C TYR A 49 -0.449 6.393 -2.001 1.00 0.00 C ATOM 747 O TYR A 49 -0.915 5.465 -1.340 1.00 0.00 O ATOM 748 CB TYR A 49 1.885 6.494 -1.106 1.00 0.00 C ATOM 749 CG TYR A 49 2.848 7.205 -0.182 1.00 0.00 C ATOM 750 CD1 TYR A 49 2.540 7.402 1.158 1.00 0.00 C ATOM 751 CD2 TYR A 49 4.068 7.678 -0.650 1.00 0.00 C ATOM 752 CE1 TYR A 49 3.417 8.051 2.005 1.00 0.00 C ATOM 753 CE2 TYR A 49 4.952 8.327 0.190 1.00 0.00 C ATOM 754 CZ TYR A 49 4.622 8.511 1.516 1.00 0.00 C ATOM 755 OH TYR A 49 5.499 9.157 2.357 1.00 0.00 O ATOM 0 H TYR A 49 -0.539 7.449 0.315 1.00 0.00 H new ATOM 0 HA TYR A 49 0.871 8.067 -2.162 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.592 5.547 -0.653 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.397 6.257 -2.038 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.598 7.041 1.544 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.329 7.536 -1.688 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.161 8.197 3.044 1.00 0.00 H new ATOM 0 HE2 TYR A 49 5.896 8.688 -0.190 1.00 0.00 H new ATOM 0 HH TYR A 49 6.301 9.416 1.857 1.00 0.00 H new ATOM 765 N PHE A 50 -0.838 6.663 -3.243 1.00 0.00 N ATOM 766 CA PHE A 50 -1.860 5.867 -3.914 1.00 0.00 C ATOM 767 C PHE A 50 -1.401 4.421 -4.078 1.00 0.00 C ATOM 768 O PHE A 50 -0.653 4.097 -5.001 1.00 0.00 O ATOM 769 CB PHE A 50 -2.188 6.469 -5.282 1.00 0.00 C ATOM 770 CG PHE A 50 -3.327 5.783 -5.981 1.00 0.00 C ATOM 771 CD1 PHE A 50 -4.445 5.374 -5.273 1.00 0.00 C ATOM 772 CD2 PHE A 50 -3.279 5.549 -7.346 1.00 0.00 C ATOM 773 CE1 PHE A 50 -5.495 4.742 -5.913 1.00 0.00 C ATOM 774 CE2 PHE A 50 -4.326 4.918 -7.992 1.00 0.00 C ATOM 775 CZ PHE A 50 -5.435 4.515 -7.274 1.00 0.00 C ATOM 0 H PHE A 50 -0.461 7.426 -3.805 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.758 5.877 -3.296 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.431 7.524 -5.157 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.301 6.419 -5.914 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.497 5.551 -4.209 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.414 5.863 -7.912 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.361 4.426 -5.350 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -4.277 4.741 -9.056 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.255 4.023 -7.776 1.00 0.00 H new ATOM 785 N ILE A 51 -1.855 3.557 -3.177 1.00 0.00 N ATOM 786 CA ILE A 51 -1.493 2.146 -3.222 1.00 0.00 C ATOM 787 C ILE A 51 -2.387 1.380 -4.191 1.00 0.00 C ATOM 788 O ILE A 51 -3.557 1.717 -4.371 1.00 0.00 O ATOM 789 CB ILE A 51 -1.588 1.496 -1.829 1.00 0.00 C ATOM 790 CG1 ILE A 51 -0.677 2.225 -0.839 1.00 0.00 C ATOM 791 CG2 ILE A 51 -1.222 0.021 -1.907 1.00 0.00 C ATOM 792 CD1 ILE A 51 0.786 2.182 -1.219 1.00 0.00 C ATOM 0 H ILE A 51 -2.474 3.809 -2.407 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.460 2.096 -3.567 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.616 1.577 -1.475 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.994 3.265 -0.764 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.800 1.782 0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.294 -0.425 -0.915 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.907 -0.489 -2.584 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.202 -0.082 -2.278 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.372 2.718 -0.473 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.120 1.145 -1.266 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.923 2.651 -2.193 1.00 0.00 H new ATOM 804 N HIS A 52 -1.828 0.345 -4.811 1.00 0.00 N ATOM 805 CA HIS A 52 -2.576 -0.472 -5.760 1.00 0.00 C ATOM 806 C HIS A 52 -2.536 -1.944 -5.359 1.00 0.00 C ATOM 807 O HIS A 52 -1.595 -2.664 -5.695 1.00 0.00 O ATOM 808 CB HIS A 52 -2.010 -0.300 -7.170 1.00 0.00 C ATOM 809 CG HIS A 52 -2.390 -1.405 -8.107 1.00 0.00 C ATOM 810 ND1 HIS A 52 -3.639 -1.508 -8.682 1.00 0.00 N ATOM 811 CD2 HIS A 52 -1.676 -2.458 -8.569 1.00 0.00 C ATOM 812 CE1 HIS A 52 -3.677 -2.577 -9.457 1.00 0.00 C ATOM 813 NE2 HIS A 52 -2.499 -3.171 -9.406 1.00 0.00 N ATOM 0 H HIS A 52 -0.861 0.053 -4.673 1.00 0.00 H new ATOM 0 HA HIS A 52 -3.614 -0.139 -5.750 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.358 0.648 -7.579 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -0.923 -0.242 -7.112 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -0.651 -2.694 -8.325 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -4.527 -2.909 -10.034 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -2.242 -4.021 -9.907 1.00 0.00 H new ATOM 822 N TYR A 53 -3.561 -2.384 -4.639 1.00 0.00 N ATOM 823 CA TYR A 53 -3.642 -3.769 -4.190 1.00 0.00 C ATOM 824 C TYR A 53 -3.534 -4.731 -5.369 1.00 0.00 C ATOM 825 O TYR A 53 -4.434 -4.810 -6.205 1.00 0.00 O ATOM 826 CB TYR A 53 -4.953 -4.009 -3.440 1.00 0.00 C ATOM 827 CG TYR A 53 -4.935 -3.509 -2.014 1.00 0.00 C ATOM 828 CD1 TYR A 53 -4.700 -2.170 -1.729 1.00 0.00 C ATOM 829 CD2 TYR A 53 -5.155 -4.376 -0.950 1.00 0.00 C ATOM 830 CE1 TYR A 53 -4.682 -1.709 -0.426 1.00 0.00 C ATOM 831 CE2 TYR A 53 -5.140 -3.924 0.355 1.00 0.00 C ATOM 832 CZ TYR A 53 -4.903 -2.590 0.612 1.00 0.00 C ATOM 833 OH TYR A 53 -4.887 -2.134 1.910 1.00 0.00 O ATOM 0 H TYR A 53 -4.348 -1.802 -4.353 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.806 -3.954 -3.515 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.764 -3.519 -3.978 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.171 -5.077 -3.439 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.528 -1.477 -2.539 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.341 -5.421 -1.147 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.496 -0.665 -0.222 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.313 -4.612 1.170 1.00 0.00 H new ATOM 0 HH TYR A 53 -5.344 -1.268 1.958 1.00 0.00 H new ATOM 843 N SER A 54 -2.425 -5.462 -5.428 1.00 0.00 N ATOM 844 CA SER A 54 -2.196 -6.418 -6.505 1.00 0.00 C ATOM 845 C SER A 54 -3.464 -7.211 -6.807 1.00 0.00 C ATOM 846 O SER A 54 -4.228 -7.549 -5.903 1.00 0.00 O ATOM 847 CB SER A 54 -1.059 -7.372 -6.136 1.00 0.00 C ATOM 848 OG SER A 54 -1.490 -8.337 -5.192 1.00 0.00 O ATOM 0 H SER A 54 -1.671 -5.410 -4.743 1.00 0.00 H new ATOM 0 HA SER A 54 -1.916 -5.860 -7.399 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.695 -7.873 -7.033 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.223 -6.805 -5.726 1.00 0.00 H new ATOM 0 HG SER A 54 -0.802 -9.028 -5.093 1.00 0.00 H new ATOM 971 N GLU A 62 -6.328 2.363 -2.722 1.00 0.00 N ATOM 972 CA GLU A 62 -6.699 3.402 -1.769 1.00 0.00 C ATOM 973 C GLU A 62 -5.494 4.265 -1.408 1.00 0.00 C ATOM 974 O GLU A 62 -4.356 3.928 -1.735 1.00 0.00 O ATOM 975 CB GLU A 62 -7.289 2.776 -0.503 1.00 0.00 C ATOM 976 CG GLU A 62 -6.303 1.913 0.266 1.00 0.00 C ATOM 977 CD GLU A 62 -6.989 0.936 1.201 1.00 0.00 C ATOM 978 OE1 GLU A 62 -7.943 1.347 1.893 1.00 0.00 O ATOM 979 OE2 GLU A 62 -6.570 -0.240 1.240 1.00 0.00 O ATOM 0 HA GLU A 62 -7.451 4.037 -2.237 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.650 3.570 0.150 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.153 2.170 -0.776 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.682 1.360 -0.439 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.637 2.555 0.842 1.00 0.00 H new ATOM 986 N TRP A 63 -5.753 5.379 -0.734 1.00 0.00 N ATOM 987 CA TRP A 63 -4.690 6.292 -0.329 1.00 0.00 C ATOM 988 C TRP A 63 -4.230 5.996 1.094 1.00 0.00 C ATOM 989 O TRP A 63 -5.019 6.056 2.037 1.00 0.00 O ATOM 990 CB TRP A 63 -5.167 7.742 -0.432 1.00 0.00 C ATOM 991 CG TRP A 63 -5.098 8.292 -1.825 1.00 0.00 C ATOM 992 CD1 TRP A 63 -6.143 8.481 -2.684 1.00 0.00 C ATOM 993 CD2 TRP A 63 -3.923 8.723 -2.519 1.00 0.00 C ATOM 994 NE1 TRP A 63 -5.687 9.003 -3.871 1.00 0.00 N ATOM 995 CE2 TRP A 63 -4.329 9.162 -3.794 1.00 0.00 C ATOM 996 CE3 TRP A 63 -2.567 8.784 -2.186 1.00 0.00 C ATOM 997 CZ2 TRP A 63 -3.427 9.652 -4.735 1.00 0.00 C ATOM 998 CZ3 TRP A 63 -1.673 9.270 -3.121 1.00 0.00 C ATOM 999 CH2 TRP A 63 -2.105 9.699 -4.382 1.00 0.00 C ATOM 0 H TRP A 63 -6.690 5.672 -0.456 1.00 0.00 H new ATOM 0 HA TRP A 63 -3.845 6.146 -1.002 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -6.195 7.805 -0.074 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.561 8.364 0.227 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.175 8.254 -2.463 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -6.266 9.234 -4.678 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.224 8.457 -1.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -3.758 9.983 -5.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -0.623 9.320 -2.875 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -1.381 10.074 -5.090 1.00 0.00 H new ATOM 1010 N VAL A 64 -2.948 5.675 1.242 1.00 0.00 N ATOM 1011 CA VAL A 64 -2.383 5.370 2.551 1.00 0.00 C ATOM 1012 C VAL A 64 -1.234 6.314 2.887 1.00 0.00 C ATOM 1013 O VAL A 64 -0.542 6.827 2.007 1.00 0.00 O ATOM 1014 CB VAL A 64 -1.877 3.917 2.620 1.00 0.00 C ATOM 1015 CG1 VAL A 64 -2.844 2.981 1.911 1.00 0.00 C ATOM 1016 CG2 VAL A 64 -0.483 3.811 2.021 1.00 0.00 C ATOM 0 H VAL A 64 -2.282 5.620 0.472 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.183 5.502 3.279 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.822 3.618 3.667 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.470 1.959 1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.822 3.038 2.389 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.934 3.275 0.865 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.140 2.778 2.078 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.510 4.128 0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.202 4.451 2.577 1.00 0.00 H new ATOM 1026 N PRO A 65 -1.022 6.549 4.190 1.00 0.00 N ATOM 1027 CA PRO A 65 0.044 7.431 4.673 1.00 0.00 C ATOM 1028 C PRO A 65 1.432 6.837 4.454 1.00 0.00 C ATOM 1029 O PRO A 65 1.596 5.887 3.690 1.00 0.00 O ATOM 1030 CB PRO A 65 -0.252 7.561 6.169 1.00 0.00 C ATOM 1031 CG PRO A 65 -1.004 6.322 6.515 1.00 0.00 C ATOM 1032 CD PRO A 65 -1.808 5.970 5.294 1.00 0.00 C ATOM 0 HA PRO A 65 0.056 8.383 4.143 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.667 7.641 6.749 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.841 8.454 6.380 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.323 5.513 6.780 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.653 6.487 7.375 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.921 4.891 5.184 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.812 6.393 5.338 1.00 0.00 H new ATOM 1040 N GLU A 66 2.426 7.402 5.131 1.00 0.00 N ATOM 1041 CA GLU A 66 3.799 6.927 5.010 1.00 0.00 C ATOM 1042 C GLU A 66 4.115 5.895 6.088 1.00 0.00 C ATOM 1043 O GLU A 66 5.141 5.217 6.032 1.00 0.00 O ATOM 1044 CB GLU A 66 4.778 8.099 5.107 1.00 0.00 C ATOM 1045 CG GLU A 66 6.213 7.722 4.779 1.00 0.00 C ATOM 1046 CD GLU A 66 7.203 8.804 5.165 1.00 0.00 C ATOM 1047 OE1 GLU A 66 7.452 8.976 6.376 1.00 0.00 O ATOM 1048 OE2 GLU A 66 7.730 9.478 4.255 1.00 0.00 O ATOM 0 H GLU A 66 2.306 8.189 5.769 1.00 0.00 H new ATOM 0 HA GLU A 66 3.907 6.452 4.035 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.455 8.889 4.429 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.741 8.510 6.116 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.470 6.798 5.297 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.297 7.522 3.711 1.00 0.00 H new ATOM 1055 N SER A 67 3.227 5.782 7.070 1.00 0.00 N ATOM 1056 CA SER A 67 3.412 4.836 8.164 1.00 0.00 C ATOM 1057 C SER A 67 2.745 3.502 7.847 1.00 0.00 C ATOM 1058 O SER A 67 3.055 2.479 8.459 1.00 0.00 O ATOM 1059 CB SER A 67 2.842 5.409 9.463 1.00 0.00 C ATOM 1060 OG SER A 67 3.646 6.470 9.950 1.00 0.00 O ATOM 0 H SER A 67 2.372 6.334 7.131 1.00 0.00 H new ATOM 0 HA SER A 67 4.482 4.667 8.289 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.827 5.767 9.291 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.779 4.622 10.214 1.00 0.00 H new ATOM 0 HG SER A 67 3.259 6.820 10.780 1.00 0.00 H new ATOM 1066 N ARG A 68 1.826 3.520 6.887 1.00 0.00 N ATOM 1067 CA ARG A 68 1.113 2.312 6.489 1.00 0.00 C ATOM 1068 C ARG A 68 1.739 1.698 5.240 1.00 0.00 C ATOM 1069 O ARG A 68 1.109 0.903 4.543 1.00 0.00 O ATOM 1070 CB ARG A 68 -0.361 2.626 6.231 1.00 0.00 C ATOM 1071 CG ARG A 68 -1.215 2.617 7.489 1.00 0.00 C ATOM 1072 CD ARG A 68 -2.666 2.286 7.175 1.00 0.00 C ATOM 1073 NE ARG A 68 -3.506 2.322 8.369 1.00 0.00 N ATOM 1074 CZ ARG A 68 -4.026 3.437 8.869 1.00 0.00 C ATOM 1075 NH1 ARG A 68 -3.794 4.602 8.280 1.00 0.00 N ATOM 1076 NH2 ARG A 68 -4.781 3.389 9.959 1.00 0.00 N ATOM 0 H ARG A 68 1.558 4.358 6.371 1.00 0.00 H new ATOM 0 HA ARG A 68 1.187 1.592 7.304 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.438 3.605 5.757 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.761 1.898 5.525 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.818 1.886 8.194 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.160 3.591 7.975 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.049 2.995 6.441 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.722 1.296 6.722 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.704 1.442 8.845 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.215 4.643 7.441 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.194 5.457 8.666 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.963 2.495 10.414 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.179 4.246 10.342 1.00 0.00 H new ATOM 1090 N VAL A 69 2.984 2.073 4.963 1.00 0.00 N ATOM 1091 CA VAL A 69 3.696 1.559 3.799 1.00 0.00 C ATOM 1092 C VAL A 69 5.095 1.085 4.176 1.00 0.00 C ATOM 1093 O VAL A 69 5.802 1.744 4.940 1.00 0.00 O ATOM 1094 CB VAL A 69 3.808 2.626 2.694 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.298 2.001 1.396 1.00 0.00 C ATOM 1096 CG2 VAL A 69 2.471 3.322 2.489 1.00 0.00 C ATOM 0 H VAL A 69 3.520 2.731 5.529 1.00 0.00 H new ATOM 0 HA VAL A 69 3.119 0.715 3.422 1.00 0.00 H new ATOM 0 HB VAL A 69 4.537 3.374 3.007 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.371 2.770 0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.279 1.553 1.555 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.596 1.232 1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.568 4.073 1.705 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.720 2.588 2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.166 3.805 3.418 1.00 0.00 H new ATOM 1106 N LEU A 70 5.491 -0.062 3.635 1.00 0.00 N ATOM 1107 CA LEU A 70 6.807 -0.626 3.914 1.00 0.00 C ATOM 1108 C LEU A 70 7.715 -0.520 2.692 1.00 0.00 C ATOM 1109 O LEU A 70 7.262 -0.191 1.595 1.00 0.00 O ATOM 1110 CB LEU A 70 6.677 -2.089 4.341 1.00 0.00 C ATOM 1111 CG LEU A 70 5.676 -2.375 5.461 1.00 0.00 C ATOM 1112 CD1 LEU A 70 5.671 -3.856 5.807 1.00 0.00 C ATOM 1113 CD2 LEU A 70 5.999 -1.539 6.691 1.00 0.00 C ATOM 0 H LEU A 70 4.919 -0.620 3.000 1.00 0.00 H new ATOM 0 HA LEU A 70 7.255 -0.055 4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.393 -2.677 3.468 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.658 -2.442 4.659 1.00 0.00 H new ATOM 0 HG LEU A 70 4.681 -2.101 5.111 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.953 -4.041 6.606 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.391 -4.434 4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.666 -4.156 6.137 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.277 -1.755 7.478 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.002 -1.781 7.042 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.950 -0.481 6.435 1.00 0.00 H new ATOM 1125 N LYS A 71 8.998 -0.802 2.889 1.00 0.00 N ATOM 1126 CA LYS A 71 9.970 -0.742 1.804 1.00 0.00 C ATOM 1127 C LYS A 71 10.031 -2.069 1.054 1.00 0.00 C ATOM 1128 O LYS A 71 10.872 -2.258 0.175 1.00 0.00 O ATOM 1129 CB LYS A 71 11.355 -0.389 2.351 1.00 0.00 C ATOM 1130 CG LYS A 71 11.456 1.032 2.879 1.00 0.00 C ATOM 1131 CD LYS A 71 10.781 1.172 4.233 1.00 0.00 C ATOM 1132 CE LYS A 71 11.189 2.462 4.928 1.00 0.00 C ATOM 1133 NZ LYS A 71 12.542 2.358 5.542 1.00 0.00 N ATOM 0 H LYS A 71 9.389 -1.075 3.791 1.00 0.00 H new ATOM 0 HA LYS A 71 9.652 0.034 1.108 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.608 -1.084 3.152 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.094 -0.528 1.562 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.505 1.316 2.963 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.995 1.719 2.169 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.699 1.153 4.105 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.043 0.320 4.861 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.179 3.281 4.209 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.458 2.706 5.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.769 3.245 6.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.555 1.571 6.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.248 2.184 4.799 1.00 0.00 H new ATOM 1147 N TYR A 72 9.135 -2.984 1.406 1.00 0.00 N ATOM 1148 CA TYR A 72 9.088 -4.293 0.767 1.00 0.00 C ATOM 1149 C TYR A 72 10.451 -4.977 0.824 1.00 0.00 C ATOM 1150 O TYR A 72 10.899 -5.577 -0.153 1.00 0.00 O ATOM 1151 CB TYR A 72 8.633 -4.159 -0.687 1.00 0.00 C ATOM 1152 CG TYR A 72 7.879 -5.365 -1.200 1.00 0.00 C ATOM 1153 CD1 TYR A 72 8.556 -6.470 -1.702 1.00 0.00 C ATOM 1154 CD2 TYR A 72 6.490 -5.399 -1.184 1.00 0.00 C ATOM 1155 CE1 TYR A 72 7.871 -7.574 -2.172 1.00 0.00 C ATOM 1156 CE2 TYR A 72 5.798 -6.499 -1.651 1.00 0.00 C ATOM 1157 CZ TYR A 72 6.492 -7.584 -2.144 1.00 0.00 C ATOM 1158 OH TYR A 72 5.806 -8.681 -2.611 1.00 0.00 O ATOM 0 H TYR A 72 8.431 -2.843 2.131 1.00 0.00 H new ATOM 0 HA TYR A 72 8.370 -4.908 1.310 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.998 -3.278 -0.780 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.506 -3.992 -1.318 1.00 0.00 H new ATOM 0 HD1 TYR A 72 9.636 -6.466 -1.725 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.942 -4.551 -0.800 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.412 -8.425 -2.559 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.718 -6.510 -1.630 1.00 0.00 H new ATOM 0 HH TYR A 72 5.159 -8.397 -3.290 1.00 0.00 H new ATOM 1168 N VAL A 73 11.106 -4.880 1.977 1.00 0.00 N ATOM 1169 CA VAL A 73 12.417 -5.490 2.164 1.00 0.00 C ATOM 1170 C VAL A 73 12.320 -6.752 3.014 1.00 0.00 C ATOM 1171 O VAL A 73 11.333 -6.963 3.720 1.00 0.00 O ATOM 1172 CB VAL A 73 13.401 -4.510 2.830 1.00 0.00 C ATOM 1173 CG1 VAL A 73 13.742 -3.369 1.883 1.00 0.00 C ATOM 1174 CG2 VAL A 73 12.824 -3.978 4.133 1.00 0.00 C ATOM 0 H VAL A 73 10.750 -4.385 2.795 1.00 0.00 H new ATOM 0 HA VAL A 73 12.789 -5.751 1.173 1.00 0.00 H new ATOM 0 HB VAL A 73 14.321 -5.047 3.060 1.00 0.00 H new ATOM 0 HG11 VAL A 73 14.438 -2.687 2.371 1.00 0.00 H new ATOM 0 HG12 VAL A 73 14.201 -3.771 0.980 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.832 -2.831 1.619 1.00 0.00 H new ATOM 0 HG21 VAL A 73 13.533 -3.287 4.590 1.00 0.00 H new ATOM 0 HG22 VAL A 73 11.888 -3.457 3.931 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.637 -4.808 4.814 1.00 0.00 H new ATOM 1184 N ASP A 74 13.351 -7.587 2.943 1.00 0.00 N ATOM 1185 CA ASP A 74 13.383 -8.828 3.707 1.00 0.00 C ATOM 1186 C ASP A 74 12.692 -8.654 5.056 1.00 0.00 C ATOM 1187 O ASP A 74 11.691 -9.312 5.343 1.00 0.00 O ATOM 1188 CB ASP A 74 14.827 -9.286 3.916 1.00 0.00 C ATOM 1189 CG ASP A 74 15.712 -8.973 2.725 1.00 0.00 C ATOM 1190 OD1 ASP A 74 16.178 -7.820 2.619 1.00 0.00 O ATOM 1191 OD2 ASP A 74 15.938 -9.883 1.900 1.00 0.00 O ATOM 0 H ASP A 74 14.175 -7.427 2.364 1.00 0.00 H new ATOM 0 HA ASP A 74 12.847 -9.589 3.140 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.234 -8.802 4.804 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.841 -10.360 4.103 1.00 0.00 H new ATOM 1196 N THR A 75 13.233 -7.765 5.883 1.00 0.00 N ATOM 1197 CA THR A 75 12.670 -7.505 7.202 1.00 0.00 C ATOM 1198 C THR A 75 11.163 -7.290 7.124 1.00 0.00 C ATOM 1199 O THR A 75 10.396 -7.945 7.828 1.00 0.00 O ATOM 1200 CB THR A 75 13.321 -6.273 7.857 1.00 0.00 C ATOM 1201 OG1 THR A 75 14.745 -6.420 7.874 1.00 0.00 O ATOM 1202 CG2 THR A 75 12.809 -6.082 9.277 1.00 0.00 C ATOM 0 H THR A 75 14.061 -7.212 5.662 1.00 0.00 H new ATOM 0 HA THR A 75 12.877 -8.383 7.813 1.00 0.00 H new ATOM 0 HB THR A 75 13.055 -5.394 7.269 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.150 -5.631 8.291 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.283 -5.206 9.720 1.00 0.00 H new ATOM 0 HG22 THR A 75 11.728 -5.940 9.258 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.049 -6.963 9.872 1.00 0.00 H new ATOM 1210 N ASN A 76 10.746 -6.368 6.262 1.00 0.00 N ATOM 1211 CA ASN A 76 9.329 -6.067 6.093 1.00 0.00 C ATOM 1212 C ASN A 76 8.560 -7.303 5.638 1.00 0.00 C ATOM 1213 O ASN A 76 7.389 -7.480 5.977 1.00 0.00 O ATOM 1214 CB ASN A 76 9.145 -4.936 5.078 1.00 0.00 C ATOM 1215 CG ASN A 76 9.436 -3.572 5.674 1.00 0.00 C ATOM 1216 OD1 ASN A 76 9.991 -2.679 4.863 1.00 0.00 O flip ATOM 1217 ND2 ASN A 76 9.165 -3.325 6.849 1.00 0.00 N flip ATOM 0 H ASN A 76 11.368 -5.817 5.671 1.00 0.00 H new ATOM 0 HA ASN A 76 8.933 -5.750 7.058 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.803 -5.105 4.226 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.123 -4.954 4.700 1.00 0.00 H new ATOM 0 HD21 ASN A 76 8.739 -4.042 7.436 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.367 -2.403 7.236 1.00 0.00 H new ATOM 1224 N LEU A 77 9.226 -8.157 4.868 1.00 0.00 N ATOM 1225 CA LEU A 77 8.607 -9.379 4.367 1.00 0.00 C ATOM 1226 C LEU A 77 8.372 -10.374 5.498 1.00 0.00 C ATOM 1227 O LEU A 77 7.329 -11.026 5.557 1.00 0.00 O ATOM 1228 CB LEU A 77 9.486 -10.014 3.288 1.00 0.00 C ATOM 1229 CG LEU A 77 9.568 -9.261 1.959 1.00 0.00 C ATOM 1230 CD1 LEU A 77 10.647 -9.860 1.072 1.00 0.00 C ATOM 1231 CD2 LEU A 77 8.221 -9.281 1.252 1.00 0.00 C ATOM 0 H LEU A 77 10.195 -8.025 4.577 1.00 0.00 H new ATOM 0 HA LEU A 77 7.642 -9.116 3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.495 -10.119 3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.115 -11.020 3.090 1.00 0.00 H new ATOM 0 HG LEU A 77 9.832 -8.224 2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.691 -9.311 0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.611 -9.793 1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.414 -10.906 0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.297 -8.741 0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.928 -10.313 1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.472 -8.804 1.884 1.00 0.00 H new ATOM 1243 N GLN A 78 9.347 -10.485 6.395 1.00 0.00 N ATOM 1244 CA GLN A 78 9.244 -11.400 7.525 1.00 0.00 C ATOM 1245 C GLN A 78 7.837 -11.384 8.113 1.00 0.00 C ATOM 1246 O GLN A 78 7.300 -12.423 8.496 1.00 0.00 O ATOM 1247 CB GLN A 78 10.264 -11.029 8.603 1.00 0.00 C ATOM 1248 CG GLN A 78 11.699 -11.009 8.102 1.00 0.00 C ATOM 1249 CD GLN A 78 12.389 -12.350 8.254 1.00 0.00 C ATOM 1250 OE1 GLN A 78 12.692 -13.021 7.268 1.00 0.00 O ATOM 1251 NE2 GLN A 78 12.644 -12.747 9.496 1.00 0.00 N ATOM 0 H GLN A 78 10.216 -9.953 6.361 1.00 0.00 H new ATOM 0 HA GLN A 78 9.456 -12.407 7.165 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.015 -10.047 9.005 1.00 0.00 H new ATOM 0 HB3 GLN A 78 10.185 -11.739 9.426 1.00 0.00 H new ATOM 0 HG2 GLN A 78 11.709 -10.716 7.052 1.00 0.00 H new ATOM 0 HG3 GLN A 78 12.260 -10.252 8.649 1.00 0.00 H new ATOM 0 HE21 GLN A 78 12.375 -12.159 10.285 1.00 0.00 H new ATOM 0 HE22 GLN A 78 13.109 -13.640 9.661 1.00 0.00 H new ATOM 1260 N LYS A 79 7.243 -10.197 8.181 1.00 0.00 N ATOM 1261 CA LYS A 79 5.898 -10.044 8.721 1.00 0.00 C ATOM 1262 C LYS A 79 4.847 -10.366 7.664 1.00 0.00 C ATOM 1263 O LYS A 79 3.993 -11.229 7.867 1.00 0.00 O ATOM 1264 CB LYS A 79 5.694 -8.619 9.241 1.00 0.00 C ATOM 1265 CG LYS A 79 4.234 -8.212 9.342 1.00 0.00 C ATOM 1266 CD LYS A 79 4.081 -6.703 9.442 1.00 0.00 C ATOM 1267 CE LYS A 79 4.046 -6.242 10.891 1.00 0.00 C ATOM 1268 NZ LYS A 79 2.849 -6.761 11.609 1.00 0.00 N ATOM 0 H LYS A 79 7.673 -9.326 7.868 1.00 0.00 H new ATOM 0 HA LYS A 79 5.783 -10.746 9.547 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.156 -8.530 10.224 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.212 -7.923 8.581 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.693 -8.576 8.469 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.784 -8.683 10.216 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.908 -6.217 8.924 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.165 -6.395 8.939 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.949 -6.577 11.401 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.046 -5.153 10.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.560 -6.080 12.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.070 -6.896 10.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.080 -7.671 12.056 1.00 0.00 H new ATOM 1282 N GLN A 80 4.917 -9.668 6.535 1.00 0.00 N ATOM 1283 CA GLN A 80 3.972 -9.882 5.445 1.00 0.00 C ATOM 1284 C GLN A 80 3.552 -11.346 5.368 1.00 0.00 C ATOM 1285 O GLN A 80 2.393 -11.655 5.088 1.00 0.00 O ATOM 1286 CB GLN A 80 4.587 -9.445 4.115 1.00 0.00 C ATOM 1287 CG GLN A 80 4.085 -10.241 2.921 1.00 0.00 C ATOM 1288 CD GLN A 80 4.951 -11.448 2.618 1.00 0.00 C ATOM 1289 OE1 GLN A 80 6.155 -11.442 2.872 1.00 0.00 O ATOM 1290 NE2 GLN A 80 4.340 -12.493 2.072 1.00 0.00 N ATOM 0 H GLN A 80 5.618 -8.950 6.351 1.00 0.00 H new ATOM 0 HA GLN A 80 3.086 -9.279 5.643 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.370 -8.389 3.954 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.671 -9.542 4.176 1.00 0.00 H new ATOM 0 HG2 GLN A 80 3.064 -10.570 3.112 1.00 0.00 H new ATOM 0 HG3 GLN A 80 4.052 -9.593 2.045 1.00 0.00 H new ATOM 0 HE21 GLN A 80 3.339 -12.455 1.878 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.871 -13.334 1.846 1.00 0.00 H new ATOM 1299 N ARG A 81 4.500 -12.243 5.618 1.00 0.00 N ATOM 1300 CA ARG A 81 4.228 -13.674 5.576 1.00 0.00 C ATOM 1301 C ARG A 81 3.741 -14.176 6.932 1.00 0.00 C ATOM 1302 O ARG A 81 2.850 -15.022 7.008 1.00 0.00 O ATOM 1303 CB ARG A 81 5.484 -14.441 5.158 1.00 0.00 C ATOM 1304 CG ARG A 81 6.647 -14.279 6.124 1.00 0.00 C ATOM 1305 CD ARG A 81 7.979 -14.543 5.441 1.00 0.00 C ATOM 1306 NE ARG A 81 9.006 -14.967 6.389 1.00 0.00 N ATOM 1307 CZ ARG A 81 8.973 -16.124 7.040 1.00 0.00 C ATOM 1308 NH1 ARG A 81 7.970 -16.970 6.844 1.00 0.00 N ATOM 1309 NH2 ARG A 81 9.944 -16.439 7.887 1.00 0.00 N ATOM 0 H ARG A 81 5.464 -12.004 5.852 1.00 0.00 H new ATOM 0 HA ARG A 81 3.442 -13.847 4.841 1.00 0.00 H new ATOM 0 HB2 ARG A 81 5.240 -15.500 5.070 1.00 0.00 H new ATOM 0 HB3 ARG A 81 5.794 -14.102 4.169 1.00 0.00 H new ATOM 0 HG2 ARG A 81 6.642 -13.270 6.536 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.524 -14.966 6.962 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.850 -15.312 4.679 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.309 -13.639 4.929 1.00 0.00 H new ATOM 0 HE ARG A 81 9.792 -14.340 6.560 1.00 0.00 H new ATOM 0 HH11 ARG A 81 7.222 -16.732 6.192 1.00 0.00 H new ATOM 0 HH12 ARG A 81 7.947 -17.858 7.345 1.00 0.00 H new ATOM 0 HH21 ARG A 81 10.718 -15.792 8.039 1.00 0.00 H new ATOM 0 HH22 ARG A 81 9.917 -17.328 8.386 1.00 0.00 H new ATOM 1323 N GLU A 82 4.331 -13.648 8.000 1.00 0.00 N ATOM 1324 CA GLU A 82 3.958 -14.044 9.352 1.00 0.00 C ATOM 1325 C GLU A 82 2.469 -13.812 9.595 1.00 0.00 C ATOM 1326 O GLU A 82 1.807 -14.605 10.267 1.00 0.00 O ATOM 1327 CB GLU A 82 4.780 -13.265 10.381 1.00 0.00 C ATOM 1328 CG GLU A 82 4.095 -12.005 10.881 1.00 0.00 C ATOM 1329 CD GLU A 82 4.898 -11.287 11.948 1.00 0.00 C ATOM 1330 OE1 GLU A 82 5.631 -11.968 12.695 1.00 0.00 O ATOM 1331 OE2 GLU A 82 4.794 -10.046 12.035 1.00 0.00 O ATOM 0 H GLU A 82 5.069 -12.945 7.955 1.00 0.00 H new ATOM 0 HA GLU A 82 4.166 -15.108 9.462 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.992 -13.914 11.230 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.739 -12.996 9.938 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.928 -11.330 10.042 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.115 -12.264 11.282 1.00 0.00 H new ATOM 1338 N LEU A 83 1.948 -12.721 9.044 1.00 0.00 N ATOM 1339 CA LEU A 83 0.538 -12.384 9.201 1.00 0.00 C ATOM 1340 C LEU A 83 -0.337 -13.289 8.340 1.00 0.00 C ATOM 1341 O LEU A 83 -1.235 -13.962 8.845 1.00 0.00 O ATOM 1342 CB LEU A 83 0.299 -10.920 8.827 1.00 0.00 C ATOM 1343 CG LEU A 83 1.322 -9.916 9.360 1.00 0.00 C ATOM 1344 CD1 LEU A 83 1.044 -8.527 8.807 1.00 0.00 C ATOM 1345 CD2 LEU A 83 1.310 -9.898 10.881 1.00 0.00 C ATOM 0 H LEU A 83 2.481 -12.055 8.485 1.00 0.00 H new ATOM 0 HA LEU A 83 0.268 -12.535 10.246 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.276 -10.843 7.740 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.688 -10.630 9.188 1.00 0.00 H new ATOM 0 HG LEU A 83 2.313 -10.226 9.028 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.782 -7.826 9.197 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.105 -8.550 7.719 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.046 -8.209 9.108 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.044 -9.178 11.242 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.319 -9.613 11.234 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.559 -10.890 11.259 1.00 0.00 H new ATOM 1357 N GLN A 84 -0.067 -13.302 7.039 1.00 0.00 N ATOM 1358 CA GLN A 84 -0.829 -14.127 6.109 1.00 0.00 C ATOM 1359 C GLN A 84 -0.938 -15.561 6.616 1.00 0.00 C ATOM 1360 O GLN A 84 -2.018 -16.153 6.609 1.00 0.00 O ATOM 1361 CB GLN A 84 -0.175 -14.111 4.726 1.00 0.00 C ATOM 1362 CG GLN A 84 -0.302 -12.777 4.009 1.00 0.00 C ATOM 1363 CD GLN A 84 0.608 -12.676 2.800 1.00 0.00 C ATOM 1364 OE1 GLN A 84 1.137 -13.679 2.321 1.00 0.00 O ATOM 1365 NE2 GLN A 84 0.795 -11.460 2.300 1.00 0.00 N ATOM 0 H GLN A 84 0.673 -12.751 6.605 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.833 -13.711 6.033 1.00 0.00 H new ATOM 0 HB2 GLN A 84 0.881 -14.359 4.830 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.626 -14.889 4.111 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.336 -12.635 3.694 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -0.067 -11.971 4.704 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.336 -10.656 2.729 1.00 0.00 H new ATOM 0 HE22 GLN A 84 1.397 -11.330 1.487 1.00 0.00 H new ATOM 1374 N LYS A 85 0.187 -16.115 7.056 1.00 0.00 N ATOM 1375 CA LYS A 85 0.219 -17.480 7.568 1.00 0.00 C ATOM 1376 C LYS A 85 -0.379 -17.549 8.970 1.00 0.00 C ATOM 1377 O LYS A 85 -1.126 -18.472 9.291 1.00 0.00 O ATOM 1378 CB LYS A 85 1.656 -18.005 7.589 1.00 0.00 C ATOM 1379 CG LYS A 85 2.457 -17.538 8.792 1.00 0.00 C ATOM 1380 CD LYS A 85 3.930 -17.882 8.648 1.00 0.00 C ATOM 1381 CE LYS A 85 4.229 -19.281 9.163 1.00 0.00 C ATOM 1382 NZ LYS A 85 4.025 -20.315 8.111 1.00 0.00 N ATOM 0 H LYS A 85 1.089 -15.639 7.068 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.380 -18.104 6.905 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.636 -19.095 7.577 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.164 -17.686 6.679 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.344 -16.460 8.910 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.061 -18.001 9.696 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.221 -17.809 7.600 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.530 -17.155 9.196 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.258 -19.324 9.520 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.586 -19.499 10.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.361 -21.037 8.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.635 -19.869 7.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.936 -20.763 7.883 1.00 0.00 H new