USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 513 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 59 CYS SG : rot -28:sc= 1.07 USER MOD Set 1.2: A 67 CYS SG : rot 104:sc= 0.148 USER MOD Set 1.3: A 72 CYS SG : rot 130:sc= 0.561 USER MOD Set 1.4: A 76 HIS : no HD1:sc= -3.03 K(o=-1.3,f=-2!) USER MOD Set 2.1: A 62 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 82 GLN : amide:sc= -1.59 K(o=-1.6,f=-0.47) USER MOD Set 3.1: A 23 CYS SG : rot 120:sc= 0.581 USER MOD Set 3.2: A 31 CYS SG : rot 90:sc= -0.158 USER MOD Set 3.3: A 38 CYS SG : rot 144:sc= 0.925 USER MOD Set 3.4: A 42 HIS : no HD1:sc= -3.27 K(o=-1.9,f=-0.43) USER MOD Set 4.1: A 27 GLN : amide:sc= -0.215 K(o=-0.66,f=-1.5) USER MOD Set 4.2: A 54 ASN : amide:sc= -0.448 K(o=-0.66,f=-1.5) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0285 K(o=-0.029,f=-0.59) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 143:sc= -0.125 (180deg=-0.482) USER MOD Single : A 64 LYS NZ :NH3+ 160:sc= -0.0439 (180deg=-0.339) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 158:sc= -0.0447 (180deg=-0.283) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -13.9! C(o=-14!,f=-11!) USER MOD Single : A 84 LYS NZ :NH3+ 161:sc= -0.0101 (180deg=-0.187) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 216 N THR A 17 -5.002 7.447 -10.231 1.00 0.00 N ATOM 217 CA THR A 17 -5.274 7.022 -8.864 1.00 0.00 C ATOM 218 C THR A 17 -5.623 5.539 -8.809 1.00 0.00 C ATOM 219 O THR A 17 -5.371 4.869 -7.807 1.00 0.00 O ATOM 220 CB THR A 17 -6.426 7.833 -8.243 1.00 0.00 C ATOM 221 OG1 THR A 17 -6.676 7.384 -6.906 1.00 0.00 O ATOM 222 CG2 THR A 17 -7.693 7.697 -9.074 1.00 0.00 C ATOM 0 HA THR A 17 -4.364 7.200 -8.290 1.00 0.00 H new ATOM 0 HB THR A 17 -6.133 8.883 -8.225 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.409 7.906 -6.517 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.493 8.279 -8.616 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.508 8.066 -10.083 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.987 6.648 -9.120 1.00 0.00 H new ATOM 230 N ASP A 18 -6.204 5.033 -9.891 1.00 0.00 N ATOM 231 CA ASP A 18 -6.586 3.627 -9.966 1.00 0.00 C ATOM 232 C ASP A 18 -5.497 2.803 -10.646 1.00 0.00 C ATOM 233 O ASP A 18 -5.786 1.895 -11.425 1.00 0.00 O ATOM 234 CB ASP A 18 -7.906 3.476 -10.725 1.00 0.00 C ATOM 235 CG ASP A 18 -7.772 3.825 -12.194 1.00 0.00 C ATOM 236 OD1 ASP A 18 -7.370 2.942 -12.980 1.00 0.00 O ATOM 237 OD2 ASP A 18 -8.071 4.981 -12.558 1.00 0.00 O ATOM 0 H ASP A 18 -6.421 5.575 -10.728 1.00 0.00 H new ATOM 0 HA ASP A 18 -6.715 3.256 -8.949 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -8.262 2.450 -10.629 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -8.659 4.118 -10.269 1.00 0.00 H new ATOM 242 N LYS A 19 -4.244 3.127 -10.346 1.00 0.00 N ATOM 243 CA LYS A 19 -3.110 2.418 -10.927 1.00 0.00 C ATOM 244 C LYS A 19 -1.955 2.333 -9.934 1.00 0.00 C ATOM 245 O LYS A 19 -1.776 3.219 -9.097 1.00 0.00 O ATOM 246 CB LYS A 19 -2.646 3.117 -12.207 1.00 0.00 C ATOM 247 CG LYS A 19 -3.531 2.835 -13.408 1.00 0.00 C ATOM 248 CD LYS A 19 -3.164 3.716 -14.591 1.00 0.00 C ATOM 249 CE LYS A 19 -1.824 3.317 -15.188 1.00 0.00 C ATOM 250 NZ LYS A 19 -1.227 4.417 -15.995 1.00 0.00 N ATOM 0 H LYS A 19 -3.988 3.877 -9.703 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.432 1.406 -11.170 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.616 4.193 -12.033 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.628 2.802 -12.435 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.438 1.787 -13.691 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.574 3.001 -13.139 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.939 3.644 -15.354 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.126 4.758 -14.272 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.138 3.040 -14.388 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.954 2.435 -15.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.314 4.106 -16.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.870 4.664 -16.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.079 5.250 -15.390 1.00 0.00 H new ATOM 264 N LEU A 20 -1.173 1.264 -10.033 1.00 0.00 N ATOM 265 CA LEU A 20 -0.033 1.064 -9.145 1.00 0.00 C ATOM 266 C LEU A 20 1.203 0.642 -9.932 1.00 0.00 C ATOM 267 O LEU A 20 1.178 -0.351 -10.659 1.00 0.00 O ATOM 268 CB LEU A 20 -0.364 0.009 -8.088 1.00 0.00 C ATOM 269 CG LEU A 20 -0.995 0.529 -6.796 1.00 0.00 C ATOM 270 CD1 LEU A 20 -1.812 -0.564 -6.124 1.00 0.00 C ATOM 271 CD2 LEU A 20 0.077 1.053 -5.851 1.00 0.00 C ATOM 0 H LEU A 20 -1.307 0.522 -10.720 1.00 0.00 H new ATOM 0 HA LEU A 20 0.181 2.011 -8.650 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.041 -0.721 -8.532 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.553 -0.521 -7.833 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.663 1.353 -7.047 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.254 -0.176 -5.206 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.604 -0.892 -6.797 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.165 -1.408 -5.887 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.391 1.419 -4.937 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.771 0.249 -5.607 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.620 1.867 -6.332 1.00 0.00 H new ATOM 283 N GLU A 21 2.284 1.402 -9.779 1.00 0.00 N ATOM 284 CA GLU A 21 3.530 1.104 -10.475 1.00 0.00 C ATOM 285 C GLU A 21 4.138 -0.201 -9.970 1.00 0.00 C ATOM 286 O GLU A 21 4.417 -0.349 -8.780 1.00 0.00 O ATOM 287 CB GLU A 21 4.529 2.249 -10.291 1.00 0.00 C ATOM 288 CG GLU A 21 4.207 3.477 -11.126 1.00 0.00 C ATOM 289 CD GLU A 21 4.953 4.712 -10.659 1.00 0.00 C ATOM 290 OE1 GLU A 21 4.923 5.000 -9.444 1.00 0.00 O ATOM 291 OE2 GLU A 21 5.569 5.389 -11.509 1.00 0.00 O ATOM 0 H GLU A 21 2.321 2.227 -9.180 1.00 0.00 H new ATOM 0 HA GLU A 21 3.305 0.993 -11.536 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.555 2.532 -9.239 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.527 1.895 -10.550 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.457 3.279 -12.168 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.135 3.668 -11.086 1.00 0.00 H new ATOM 298 N VAL A 22 4.338 -1.146 -10.883 1.00 0.00 N ATOM 299 CA VAL A 22 4.913 -2.439 -10.531 1.00 0.00 C ATOM 300 C VAL A 22 6.402 -2.316 -10.230 1.00 0.00 C ATOM 301 O VAL A 22 7.143 -1.662 -10.966 1.00 0.00 O ATOM 302 CB VAL A 22 4.712 -3.469 -11.659 1.00 0.00 C ATOM 303 CG1 VAL A 22 5.429 -4.769 -11.330 1.00 0.00 C ATOM 304 CG2 VAL A 22 3.229 -3.713 -11.898 1.00 0.00 C ATOM 0 H VAL A 22 4.110 -1.041 -11.872 1.00 0.00 H new ATOM 0 HA VAL A 22 4.392 -2.783 -9.637 1.00 0.00 H new ATOM 0 HB VAL A 22 5.144 -3.067 -12.576 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.275 -5.484 -12.138 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.496 -4.577 -11.213 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.031 -5.179 -10.402 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.105 -4.443 -12.698 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.771 -4.094 -10.985 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.748 -2.777 -12.183 1.00 0.00 H new ATOM 314 N CYS A 23 6.836 -2.948 -9.145 1.00 0.00 N ATOM 315 CA CYS A 23 8.237 -2.910 -8.746 1.00 0.00 C ATOM 316 C CYS A 23 9.114 -3.631 -9.766 1.00 0.00 C ATOM 317 O CYS A 23 8.677 -4.584 -10.412 1.00 0.00 O ATOM 318 CB CYS A 23 8.414 -3.546 -7.366 1.00 0.00 C ATOM 319 SG CYS A 23 9.767 -2.825 -6.382 1.00 0.00 S ATOM 0 H CYS A 23 6.236 -3.493 -8.526 1.00 0.00 H new ATOM 0 HA CYS A 23 8.547 -1.866 -8.700 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.482 -3.447 -6.810 1.00 0.00 H new ATOM 0 HB3 CYS A 23 8.599 -4.613 -7.491 1.00 0.00 H new ATOM 0 HG CYS A 23 9.287 -2.336 -5.277 1.00 0.00 H new ATOM 324 N ARG A 24 10.352 -3.169 -9.906 1.00 0.00 N ATOM 325 CA ARG A 24 11.289 -3.769 -10.848 1.00 0.00 C ATOM 326 C ARG A 24 12.123 -4.852 -10.170 1.00 0.00 C ATOM 327 O ARG A 24 12.459 -5.864 -10.784 1.00 0.00 O ATOM 328 CB ARG A 24 12.208 -2.697 -11.438 1.00 0.00 C ATOM 329 CG ARG A 24 11.483 -1.686 -12.310 1.00 0.00 C ATOM 330 CD ARG A 24 11.122 -2.277 -13.664 1.00 0.00 C ATOM 331 NE ARG A 24 10.779 -1.243 -14.638 1.00 0.00 N ATOM 332 CZ ARG A 24 11.680 -0.489 -15.257 1.00 0.00 C ATOM 333 NH1 ARG A 24 12.972 -0.652 -15.005 1.00 0.00 N ATOM 334 NH2 ARG A 24 11.290 0.430 -16.130 1.00 0.00 N ATOM 0 H ARG A 24 10.729 -2.381 -9.379 1.00 0.00 H new ATOM 0 HA ARG A 24 10.714 -4.228 -11.652 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.707 -2.171 -10.624 1.00 0.00 H new ATOM 0 HB3 ARG A 24 12.985 -3.182 -12.028 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.577 -1.351 -11.805 1.00 0.00 H new ATOM 0 HG3 ARG A 24 12.113 -0.808 -12.451 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.960 -2.864 -14.039 1.00 0.00 H new ATOM 0 HD3 ARG A 24 10.281 -2.960 -13.549 1.00 0.00 H new ATOM 0 HE ARG A 24 9.794 -1.092 -14.854 1.00 0.00 H new ATOM 0 HH11 ARG A 24 13.276 -1.358 -14.334 1.00 0.00 H new ATOM 0 HH12 ARG A 24 13.662 -0.071 -15.482 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.297 0.558 -16.326 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.983 1.009 -16.605 1.00 0.00 H new ATOM 348 N GLU A 25 12.452 -4.631 -8.901 1.00 0.00 N ATOM 349 CA GLU A 25 13.248 -5.589 -8.142 1.00 0.00 C ATOM 350 C GLU A 25 12.463 -6.874 -7.895 1.00 0.00 C ATOM 351 O GLU A 25 12.895 -7.962 -8.276 1.00 0.00 O ATOM 352 CB GLU A 25 13.682 -4.979 -6.807 1.00 0.00 C ATOM 353 CG GLU A 25 14.652 -3.819 -6.955 1.00 0.00 C ATOM 354 CD GLU A 25 15.137 -3.291 -5.619 1.00 0.00 C ATOM 355 OE1 GLU A 25 14.300 -3.117 -4.709 1.00 0.00 O ATOM 356 OE2 GLU A 25 16.356 -3.052 -5.483 1.00 0.00 O ATOM 0 H GLU A 25 12.180 -3.799 -8.378 1.00 0.00 H new ATOM 0 HA GLU A 25 14.134 -5.832 -8.728 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.798 -4.636 -6.269 1.00 0.00 H new ATOM 0 HB3 GLU A 25 14.146 -5.754 -6.197 1.00 0.00 H new ATOM 0 HG2 GLU A 25 15.509 -4.140 -7.547 1.00 0.00 H new ATOM 0 HG3 GLU A 25 14.167 -3.013 -7.506 1.00 0.00 H new ATOM 363 N PHE A 26 11.306 -6.740 -7.255 1.00 0.00 N ATOM 364 CA PHE A 26 10.460 -7.889 -6.955 1.00 0.00 C ATOM 365 C PHE A 26 10.447 -8.873 -8.121 1.00 0.00 C ATOM 366 O PHE A 26 10.558 -10.083 -7.926 1.00 0.00 O ATOM 367 CB PHE A 26 9.034 -7.432 -6.642 1.00 0.00 C ATOM 368 CG PHE A 26 7.994 -8.479 -6.923 1.00 0.00 C ATOM 369 CD1 PHE A 26 7.692 -9.445 -5.977 1.00 0.00 C ATOM 370 CD2 PHE A 26 7.318 -8.497 -8.132 1.00 0.00 C ATOM 371 CE1 PHE A 26 6.736 -10.410 -6.233 1.00 0.00 C ATOM 372 CE2 PHE A 26 6.361 -9.459 -8.394 1.00 0.00 C ATOM 373 CZ PHE A 26 6.068 -10.416 -7.442 1.00 0.00 C ATOM 0 H PHE A 26 10.933 -5.847 -6.934 1.00 0.00 H new ATOM 0 HA PHE A 26 10.872 -8.394 -6.081 1.00 0.00 H new ATOM 0 HB2 PHE A 26 8.975 -7.145 -5.592 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.809 -6.541 -7.229 1.00 0.00 H new ATOM 0 HD1 PHE A 26 8.209 -9.444 -5.029 1.00 0.00 H new ATOM 0 HD2 PHE A 26 7.542 -7.750 -8.879 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.511 -11.159 -5.488 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.843 -9.463 -9.342 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.318 -11.167 -7.642 1.00 0.00 H new ATOM 383 N GLN A 27 10.309 -8.344 -9.333 1.00 0.00 N ATOM 384 CA GLN A 27 10.279 -9.175 -10.530 1.00 0.00 C ATOM 385 C GLN A 27 11.433 -10.173 -10.529 1.00 0.00 C ATOM 386 O GLN A 27 11.254 -11.344 -10.861 1.00 0.00 O ATOM 387 CB GLN A 27 10.345 -8.302 -11.784 1.00 0.00 C ATOM 388 CG GLN A 27 9.211 -7.295 -11.885 1.00 0.00 C ATOM 389 CD GLN A 27 9.392 -6.324 -13.035 1.00 0.00 C ATOM 390 OE1 GLN A 27 10.417 -6.338 -13.718 1.00 0.00 O ATOM 391 NE2 GLN A 27 8.396 -5.474 -13.255 1.00 0.00 N ATOM 0 H GLN A 27 10.216 -7.344 -9.511 1.00 0.00 H new ATOM 0 HA GLN A 27 9.342 -9.731 -10.532 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.295 -7.769 -11.796 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.329 -8.944 -12.665 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.268 -7.827 -12.009 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.142 -6.737 -10.951 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.565 -5.498 -12.664 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.462 -4.797 -14.015 1.00 0.00 H new ATOM 400 N ARG A 28 12.617 -9.699 -10.154 1.00 0.00 N ATOM 401 CA ARG A 28 13.801 -10.549 -10.112 1.00 0.00 C ATOM 402 C ARG A 28 14.089 -11.010 -8.686 1.00 0.00 C ATOM 403 O ARG A 28 15.232 -11.297 -8.334 1.00 0.00 O ATOM 404 CB ARG A 28 15.012 -9.801 -10.672 1.00 0.00 C ATOM 405 CG ARG A 28 15.314 -8.500 -9.946 1.00 0.00 C ATOM 406 CD ARG A 28 16.796 -8.164 -9.998 1.00 0.00 C ATOM 407 NE ARG A 28 17.031 -6.722 -9.969 1.00 0.00 N ATOM 408 CZ ARG A 28 16.695 -5.903 -10.959 1.00 0.00 C ATOM 409 NH1 ARG A 28 16.111 -6.380 -12.050 1.00 0.00 N ATOM 410 NH2 ARG A 28 16.942 -4.603 -10.859 1.00 0.00 N ATOM 0 H ARG A 28 12.782 -8.732 -9.875 1.00 0.00 H new ATOM 0 HA ARG A 28 13.609 -11.428 -10.728 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.886 -10.449 -10.617 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.840 -9.587 -11.727 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.740 -7.690 -10.395 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.994 -8.579 -8.907 1.00 0.00 H new ATOM 0 HD2 ARG A 28 17.304 -8.631 -9.154 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.232 -8.584 -10.904 1.00 0.00 H new ATOM 0 HE ARG A 28 17.477 -6.323 -9.143 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.919 -7.378 -12.130 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.854 -5.748 -12.809 1.00 0.00 H new ATOM 0 HH21 ARG A 28 17.390 -4.232 -10.021 1.00 0.00 H new ATOM 0 HH22 ARG A 28 16.684 -3.975 -11.620 1.00 0.00 H new ATOM 424 N GLY A 29 13.042 -11.076 -7.868 1.00 0.00 N ATOM 425 CA GLY A 29 13.204 -11.501 -6.490 1.00 0.00 C ATOM 426 C GLY A 29 14.360 -10.805 -5.800 1.00 0.00 C ATOM 427 O GLY A 29 15.138 -11.438 -5.088 1.00 0.00 O ATOM 0 H GLY A 29 12.086 -10.843 -8.135 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.284 -11.301 -5.941 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.364 -12.579 -6.462 1.00 0.00 H new ATOM 431 N ASN A 30 14.474 -9.498 -6.013 1.00 0.00 N ATOM 432 CA ASN A 30 15.546 -8.716 -5.408 1.00 0.00 C ATOM 433 C ASN A 30 14.995 -7.770 -4.344 1.00 0.00 C ATOM 434 O ASN A 30 15.651 -7.502 -3.337 1.00 0.00 O ATOM 435 CB ASN A 30 16.290 -7.917 -6.480 1.00 0.00 C ATOM 436 CG ASN A 30 17.448 -7.121 -5.908 1.00 0.00 C ATOM 437 OD1 ASN A 30 18.071 -7.528 -4.927 1.00 0.00 O ATOM 438 ND2 ASN A 30 17.741 -5.981 -6.521 1.00 0.00 N ATOM 0 H ASN A 30 13.838 -8.958 -6.600 1.00 0.00 H new ATOM 0 HA ASN A 30 16.241 -9.407 -4.931 1.00 0.00 H new ATOM 0 HB2 ASN A 30 16.664 -8.599 -7.244 1.00 0.00 H new ATOM 0 HB3 ASN A 30 15.594 -7.238 -6.972 1.00 0.00 H new ATOM 0 HD21 ASN A 30 18.510 -5.403 -6.182 1.00 0.00 H new ATOM 0 HD22 ASN A 30 17.197 -5.683 -7.331 1.00 0.00 H new ATOM 445 N CYS A 31 13.786 -7.270 -4.574 1.00 0.00 N ATOM 446 CA CYS A 31 13.146 -6.355 -3.637 1.00 0.00 C ATOM 447 C CYS A 31 13.139 -6.937 -2.227 1.00 0.00 C ATOM 448 O CYS A 31 12.858 -8.120 -2.034 1.00 0.00 O ATOM 449 CB CYS A 31 11.714 -6.054 -4.084 1.00 0.00 C ATOM 450 SG CYS A 31 10.966 -4.611 -3.260 1.00 0.00 S ATOM 0 H CYS A 31 13.229 -7.483 -5.402 1.00 0.00 H new ATOM 0 HA CYS A 31 13.718 -5.427 -3.625 1.00 0.00 H new ATOM 0 HB2 CYS A 31 11.708 -5.887 -5.161 1.00 0.00 H new ATOM 0 HB3 CYS A 31 11.094 -6.930 -3.894 1.00 0.00 H new ATOM 0 HG CYS A 31 11.219 -3.538 -3.949 1.00 0.00 H new ATOM 455 N ALA A 32 13.451 -6.098 -1.245 1.00 0.00 N ATOM 456 CA ALA A 32 13.478 -6.529 0.148 1.00 0.00 C ATOM 457 C ALA A 32 12.298 -5.954 0.923 1.00 0.00 C ATOM 458 O ALA A 32 11.854 -6.533 1.915 1.00 0.00 O ATOM 459 CB ALA A 32 14.791 -6.120 0.801 1.00 0.00 C ATOM 0 H ALA A 32 13.689 -5.116 -1.388 1.00 0.00 H new ATOM 0 HA ALA A 32 13.397 -7.616 0.169 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.798 -6.448 1.841 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.622 -6.583 0.269 1.00 0.00 H new ATOM 0 HB3 ALA A 32 14.895 -5.036 0.762 1.00 0.00 H new ATOM 465 N ARG A 33 11.795 -4.812 0.466 1.00 0.00 N ATOM 466 CA ARG A 33 10.667 -4.159 1.119 1.00 0.00 C ATOM 467 C ARG A 33 9.408 -5.015 1.015 1.00 0.00 C ATOM 468 O ARG A 33 8.474 -4.862 1.801 1.00 0.00 O ATOM 469 CB ARG A 33 10.415 -2.785 0.495 1.00 0.00 C ATOM 470 CG ARG A 33 11.357 -1.705 0.999 1.00 0.00 C ATOM 471 CD ARG A 33 11.175 -0.404 0.233 1.00 0.00 C ATOM 472 NE ARG A 33 11.951 -0.383 -1.004 1.00 0.00 N ATOM 473 CZ ARG A 33 11.687 0.425 -2.025 1.00 0.00 C ATOM 474 NH1 ARG A 33 10.671 1.274 -1.956 1.00 0.00 N ATOM 475 NH2 ARG A 33 12.439 0.385 -3.116 1.00 0.00 N ATOM 0 H ARG A 33 12.151 -4.320 -0.354 1.00 0.00 H new ATOM 0 HA ARG A 33 10.913 -4.033 2.173 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.512 -2.864 -0.588 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.388 -2.485 0.702 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.179 -1.531 2.060 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.388 -2.045 0.901 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.119 -0.265 0.001 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.476 0.433 0.864 1.00 0.00 H new ATOM 0 HE ARG A 33 12.740 -1.024 -1.089 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.090 1.308 -1.118 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.470 1.894 -2.741 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.222 -0.267 -3.172 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.235 1.006 -3.899 1.00 0.00 H new ATOM 489 N GLY A 34 9.391 -5.918 0.038 1.00 0.00 N ATOM 490 CA GLY A 34 8.242 -6.784 -0.151 1.00 0.00 C ATOM 491 C GLY A 34 6.963 -6.007 -0.391 1.00 0.00 C ATOM 492 O GLY A 34 6.970 -4.777 -0.402 1.00 0.00 O ATOM 0 H GLY A 34 10.152 -6.065 -0.625 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.425 -7.446 -0.997 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.119 -7.417 0.728 1.00 0.00 H new ATOM 496 N GLU A 35 5.863 -6.728 -0.586 1.00 0.00 N ATOM 497 CA GLU A 35 4.571 -6.097 -0.830 1.00 0.00 C ATOM 498 C GLU A 35 3.945 -5.615 0.475 1.00 0.00 C ATOM 499 O GLU A 35 2.762 -5.276 0.523 1.00 0.00 O ATOM 500 CB GLU A 35 3.626 -7.074 -1.532 1.00 0.00 C ATOM 501 CG GLU A 35 2.234 -6.512 -1.766 1.00 0.00 C ATOM 502 CD GLU A 35 1.487 -7.243 -2.866 1.00 0.00 C ATOM 503 OE1 GLU A 35 1.632 -8.480 -2.961 1.00 0.00 O ATOM 504 OE2 GLU A 35 0.758 -6.577 -3.631 1.00 0.00 O ATOM 0 H GLU A 35 5.841 -7.748 -0.580 1.00 0.00 H new ATOM 0 HA GLU A 35 4.734 -5.233 -1.475 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.059 -7.360 -2.491 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.546 -7.982 -0.934 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.661 -6.573 -0.841 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.311 -5.456 -2.024 1.00 0.00 H new ATOM 511 N THR A 36 4.748 -5.588 1.535 1.00 0.00 N ATOM 512 CA THR A 36 4.274 -5.151 2.842 1.00 0.00 C ATOM 513 C THR A 36 4.943 -3.846 3.261 1.00 0.00 C ATOM 514 O THR A 36 4.353 -3.038 3.978 1.00 0.00 O ATOM 515 CB THR A 36 4.536 -6.218 3.921 1.00 0.00 C ATOM 516 OG1 THR A 36 5.904 -6.638 3.873 1.00 0.00 O ATOM 517 CG2 THR A 36 3.624 -7.420 3.726 1.00 0.00 C ATOM 0 H THR A 36 5.730 -5.864 1.513 1.00 0.00 H new ATOM 0 HA THR A 36 3.199 -4.993 2.752 1.00 0.00 H new ATOM 0 HB THR A 36 4.326 -5.777 4.895 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.063 -7.315 4.563 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.827 -8.160 4.500 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.584 -7.102 3.793 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.807 -7.860 2.746 1.00 0.00 H new ATOM 525 N ASP A 37 6.176 -3.648 2.809 1.00 0.00 N ATOM 526 CA ASP A 37 6.925 -2.440 3.135 1.00 0.00 C ATOM 527 C ASP A 37 7.239 -1.638 1.876 1.00 0.00 C ATOM 528 O ASP A 37 7.712 -0.504 1.951 1.00 0.00 O ATOM 529 CB ASP A 37 8.221 -2.798 3.864 1.00 0.00 C ATOM 530 CG ASP A 37 8.844 -1.604 4.559 1.00 0.00 C ATOM 531 OD1 ASP A 37 8.295 -1.166 5.592 1.00 0.00 O ATOM 532 OD2 ASP A 37 9.880 -1.106 4.070 1.00 0.00 O ATOM 0 H ASP A 37 6.678 -4.308 2.216 1.00 0.00 H new ATOM 0 HA ASP A 37 6.307 -1.826 3.790 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.018 -3.577 4.599 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.933 -3.212 3.150 1.00 0.00 H new ATOM 537 N CYS A 38 6.976 -2.236 0.719 1.00 0.00 N ATOM 538 CA CYS A 38 7.232 -1.580 -0.558 1.00 0.00 C ATOM 539 C CYS A 38 5.971 -0.898 -1.081 1.00 0.00 C ATOM 540 O CYS A 38 4.879 -1.464 -1.026 1.00 0.00 O ATOM 541 CB CYS A 38 7.740 -2.595 -1.583 1.00 0.00 C ATOM 542 SG CYS A 38 8.573 -1.846 -3.020 1.00 0.00 S ATOM 0 H CYS A 38 6.585 -3.175 0.639 1.00 0.00 H new ATOM 0 HA CYS A 38 7.997 -0.819 -0.401 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.432 -3.278 -1.090 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.899 -3.193 -1.935 1.00 0.00 H new ATOM 0 HG CYS A 38 9.564 -2.602 -3.390 1.00 0.00 H new ATOM 547 N ARG A 39 6.131 0.319 -1.590 1.00 0.00 N ATOM 548 CA ARG A 39 5.007 1.078 -2.123 1.00 0.00 C ATOM 549 C ARG A 39 4.551 0.507 -3.462 1.00 0.00 C ATOM 550 O ARG A 39 3.356 0.458 -3.754 1.00 0.00 O ATOM 551 CB ARG A 39 5.390 2.550 -2.288 1.00 0.00 C ATOM 552 CG ARG A 39 6.580 2.770 -3.207 1.00 0.00 C ATOM 553 CD ARG A 39 7.191 4.148 -3.008 1.00 0.00 C ATOM 554 NE ARG A 39 6.417 5.191 -3.676 1.00 0.00 N ATOM 555 CZ ARG A 39 6.730 6.481 -3.630 1.00 0.00 C ATOM 556 NH1 ARG A 39 7.797 6.885 -2.953 1.00 0.00 N ATOM 557 NH2 ARG A 39 5.976 7.371 -4.263 1.00 0.00 N ATOM 0 H ARG A 39 7.029 0.800 -1.644 1.00 0.00 H new ATOM 0 HA ARG A 39 4.182 1.002 -1.415 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.533 3.098 -2.680 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.616 2.970 -1.308 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.334 2.006 -3.017 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.266 2.657 -4.244 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.251 4.368 -1.942 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.211 4.151 -3.392 1.00 0.00 H new ATOM 0 HE ARG A 39 5.591 4.914 -4.207 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.380 6.204 -2.466 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.035 7.876 -2.920 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.155 7.065 -4.785 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.217 8.361 -4.227 1.00 0.00 H new ATOM 571 N PHE A 40 5.511 0.076 -4.274 1.00 0.00 N ATOM 572 CA PHE A 40 5.209 -0.491 -5.583 1.00 0.00 C ATOM 573 C PHE A 40 4.536 -1.853 -5.443 1.00 0.00 C ATOM 574 O PHE A 40 4.986 -2.704 -4.677 1.00 0.00 O ATOM 575 CB PHE A 40 6.488 -0.624 -6.412 1.00 0.00 C ATOM 576 CG PHE A 40 7.189 0.684 -6.646 1.00 0.00 C ATOM 577 CD1 PHE A 40 8.088 1.179 -5.714 1.00 0.00 C ATOM 578 CD2 PHE A 40 6.951 1.417 -7.797 1.00 0.00 C ATOM 579 CE1 PHE A 40 8.734 2.382 -5.927 1.00 0.00 C ATOM 580 CE2 PHE A 40 7.595 2.620 -8.015 1.00 0.00 C ATOM 581 CZ PHE A 40 8.488 3.103 -7.079 1.00 0.00 C ATOM 0 H PHE A 40 6.505 0.109 -4.048 1.00 0.00 H new ATOM 0 HA PHE A 40 4.522 0.183 -6.094 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.170 -1.307 -5.906 1.00 0.00 H new ATOM 0 HB3 PHE A 40 6.243 -1.073 -7.374 1.00 0.00 H new ATOM 0 HD1 PHE A 40 8.286 0.619 -4.812 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.254 1.044 -8.533 1.00 0.00 H new ATOM 0 HE1 PHE A 40 9.431 2.758 -5.193 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.400 3.182 -8.917 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.993 4.043 -7.247 1.00 0.00 H new ATOM 591 N ALA A 41 3.454 -2.051 -6.190 1.00 0.00 N ATOM 592 CA ALA A 41 2.720 -3.310 -6.152 1.00 0.00 C ATOM 593 C ALA A 41 3.569 -4.458 -6.686 1.00 0.00 C ATOM 594 O ALA A 41 4.335 -4.288 -7.635 1.00 0.00 O ATOM 595 CB ALA A 41 1.428 -3.191 -6.948 1.00 0.00 C ATOM 0 H ALA A 41 3.067 -1.356 -6.828 1.00 0.00 H new ATOM 0 HA ALA A 41 2.475 -3.528 -5.112 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.890 -4.138 -6.911 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.808 -2.404 -6.519 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.660 -2.946 -7.984 1.00 0.00 H new ATOM 601 N HIS A 42 3.429 -5.628 -6.070 1.00 0.00 N ATOM 602 CA HIS A 42 4.184 -6.805 -6.484 1.00 0.00 C ATOM 603 C HIS A 42 3.255 -7.876 -7.047 1.00 0.00 C ATOM 604 O HIS A 42 2.605 -8.618 -6.311 1.00 0.00 O ATOM 605 CB HIS A 42 4.976 -7.369 -5.304 1.00 0.00 C ATOM 606 CG HIS A 42 6.107 -6.490 -4.867 1.00 0.00 C ATOM 607 ND1 HIS A 42 7.019 -6.862 -3.901 1.00 0.00 N ATOM 608 CD2 HIS A 42 6.472 -5.251 -5.270 1.00 0.00 C ATOM 609 CE1 HIS A 42 7.895 -5.888 -3.728 1.00 0.00 C ATOM 610 NE2 HIS A 42 7.585 -4.899 -4.547 1.00 0.00 N ATOM 0 H HIS A 42 2.800 -5.786 -5.283 1.00 0.00 H new ATOM 0 HA HIS A 42 4.879 -6.504 -7.268 1.00 0.00 H new ATOM 0 HB2 HIS A 42 4.300 -7.522 -4.463 1.00 0.00 H new ATOM 0 HB3 HIS A 42 5.372 -8.347 -5.577 1.00 0.00 H new ATOM 0 HD2 HIS A 42 5.980 -4.651 -6.021 1.00 0.00 H new ATOM 0 HE1 HIS A 42 8.723 -5.899 -3.035 1.00 0.00 H new ATOM 0 HE2 HIS A 42 8.090 -4.017 -4.629 1.00 0.00 H new ATOM 618 N PRO A 43 3.189 -7.959 -8.384 1.00 0.00 N ATOM 619 CA PRO A 43 2.342 -8.936 -9.076 1.00 0.00 C ATOM 620 C PRO A 43 2.853 -10.363 -8.915 1.00 0.00 C ATOM 621 O PRO A 43 3.689 -10.825 -9.691 1.00 0.00 O ATOM 622 CB PRO A 43 2.424 -8.501 -10.541 1.00 0.00 C ATOM 623 CG PRO A 43 3.723 -7.781 -10.651 1.00 0.00 C ATOM 624 CD PRO A 43 3.936 -7.106 -9.324 1.00 0.00 C ATOM 0 HA PRO A 43 1.328 -8.951 -8.677 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.390 -9.360 -11.211 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.589 -7.854 -10.809 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.535 -8.473 -10.872 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.697 -7.051 -11.460 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.994 -7.053 -9.065 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.557 -6.084 -9.327 1.00 0.00 H new ATOM 696 N ILE A 49 1.269 -7.829 -16.198 1.00 0.00 N ATOM 697 CA ILE A 49 2.184 -6.695 -16.238 1.00 0.00 C ATOM 698 C ILE A 49 2.339 -6.164 -17.659 1.00 0.00 C ATOM 699 O ILE A 49 2.272 -6.922 -18.626 1.00 0.00 O ATOM 700 CB ILE A 49 3.572 -7.071 -15.688 1.00 0.00 C ATOM 701 CG1 ILE A 49 3.455 -7.570 -14.246 1.00 0.00 C ATOM 702 CG2 ILE A 49 4.515 -5.880 -15.767 1.00 0.00 C ATOM 703 CD1 ILE A 49 4.631 -8.411 -13.800 1.00 0.00 C ATOM 0 HA ILE A 49 1.751 -5.918 -15.607 1.00 0.00 H new ATOM 0 HB ILE A 49 3.983 -7.875 -16.299 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.359 -6.712 -13.580 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.541 -8.156 -14.146 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.492 -6.163 -15.374 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.618 -5.566 -16.806 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.111 -5.057 -15.178 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.480 -8.730 -12.769 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.716 -9.288 -14.442 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.546 -7.822 -13.868 1.00 0.00 H new ATOM 715 N ASP A 50 2.549 -4.857 -17.776 1.00 0.00 N ATOM 716 CA ASP A 50 2.717 -4.224 -19.079 1.00 0.00 C ATOM 717 C ASP A 50 4.156 -3.754 -19.273 1.00 0.00 C ATOM 718 O ASP A 50 4.665 -2.941 -18.501 1.00 0.00 O ATOM 719 CB ASP A 50 1.758 -3.042 -19.224 1.00 0.00 C ATOM 720 CG ASP A 50 0.424 -3.448 -19.819 1.00 0.00 C ATOM 721 OD1 ASP A 50 0.397 -3.827 -21.008 1.00 0.00 O ATOM 722 OD2 ASP A 50 -0.593 -3.386 -19.096 1.00 0.00 O ATOM 0 H ASP A 50 2.607 -4.216 -16.985 1.00 0.00 H new ATOM 0 HA ASP A 50 2.488 -4.963 -19.846 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.594 -2.589 -18.246 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.217 -2.281 -19.855 1.00 0.00 H new ATOM 727 N THR A 51 4.808 -4.273 -20.309 1.00 0.00 N ATOM 728 CA THR A 51 6.188 -3.909 -20.604 1.00 0.00 C ATOM 729 C THR A 51 6.267 -2.531 -21.251 1.00 0.00 C ATOM 730 O THR A 51 7.333 -2.101 -21.690 1.00 0.00 O ATOM 731 CB THR A 51 6.855 -4.939 -21.534 1.00 0.00 C ATOM 732 OG1 THR A 51 6.190 -4.956 -22.803 1.00 0.00 O ATOM 733 CG2 THR A 51 6.816 -6.329 -20.918 1.00 0.00 C ATOM 0 H THR A 51 4.402 -4.947 -20.958 1.00 0.00 H new ATOM 0 HA THR A 51 6.720 -3.892 -19.653 1.00 0.00 H new ATOM 0 HB THR A 51 7.896 -4.649 -21.673 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.621 -5.612 -23.389 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.293 -7.040 -21.593 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.347 -6.320 -19.966 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.780 -6.625 -20.753 1.00 0.00 H new ATOM 741 N SER A 52 5.131 -1.842 -21.307 1.00 0.00 N ATOM 742 CA SER A 52 5.071 -0.513 -21.904 1.00 0.00 C ATOM 743 C SER A 52 5.221 0.568 -20.838 1.00 0.00 C ATOM 744 O SER A 52 5.987 1.518 -21.005 1.00 0.00 O ATOM 745 CB SER A 52 3.751 -0.327 -22.654 1.00 0.00 C ATOM 746 OG SER A 52 3.823 -0.877 -23.958 1.00 0.00 O ATOM 0 H SER A 52 4.240 -2.183 -20.946 1.00 0.00 H new ATOM 0 HA SER A 52 5.897 -0.420 -22.609 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.943 -0.804 -22.099 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.511 0.734 -22.716 1.00 0.00 H new ATOM 0 HG SER A 52 2.966 -0.747 -24.416 1.00 0.00 H new ATOM 752 N ASP A 53 4.485 0.417 -19.743 1.00 0.00 N ATOM 753 CA ASP A 53 4.535 1.379 -18.649 1.00 0.00 C ATOM 754 C ASP A 53 4.948 0.700 -17.347 1.00 0.00 C ATOM 755 O ASP A 53 5.490 1.339 -16.447 1.00 0.00 O ATOM 756 CB ASP A 53 3.176 2.059 -18.476 1.00 0.00 C ATOM 757 CG ASP A 53 3.299 3.470 -17.937 1.00 0.00 C ATOM 758 OD1 ASP A 53 3.458 3.624 -16.708 1.00 0.00 O ATOM 759 OD2 ASP A 53 3.235 4.421 -18.744 1.00 0.00 O ATOM 0 H ASP A 53 3.846 -0.363 -19.589 1.00 0.00 H new ATOM 0 HA ASP A 53 5.281 2.134 -18.896 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.661 2.084 -19.436 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.560 1.467 -17.799 1.00 0.00 H new ATOM 764 N ASN A 54 4.685 -0.600 -17.254 1.00 0.00 N ATOM 765 CA ASN A 54 5.027 -1.366 -16.061 1.00 0.00 C ATOM 766 C ASN A 54 4.142 -0.965 -14.885 1.00 0.00 C ATOM 767 O ASN A 54 4.634 -0.677 -13.793 1.00 0.00 O ATOM 768 CB ASN A 54 6.500 -1.157 -15.701 1.00 0.00 C ATOM 769 CG ASN A 54 7.104 -2.366 -15.012 1.00 0.00 C ATOM 770 OD1 ASN A 54 6.926 -3.500 -15.457 1.00 0.00 O ATOM 771 ND2 ASN A 54 7.823 -2.127 -13.922 1.00 0.00 N ATOM 0 H ASN A 54 4.236 -1.145 -17.990 1.00 0.00 H new ATOM 0 HA ASN A 54 4.858 -2.421 -16.276 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.065 -0.939 -16.607 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.592 -0.287 -15.050 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.255 -2.900 -13.416 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.943 -1.170 -13.590 1.00 0.00 H new ATOM 778 N THR A 55 2.833 -0.950 -15.115 1.00 0.00 N ATOM 779 CA THR A 55 1.879 -0.585 -14.075 1.00 0.00 C ATOM 780 C THR A 55 0.672 -1.517 -14.085 1.00 0.00 C ATOM 781 O THR A 55 0.370 -2.148 -15.098 1.00 0.00 O ATOM 782 CB THR A 55 1.393 0.867 -14.244 1.00 0.00 C ATOM 783 OG1 THR A 55 0.762 1.028 -15.519 1.00 0.00 O ATOM 784 CG2 THR A 55 2.553 1.843 -14.119 1.00 0.00 C ATOM 0 H THR A 55 2.409 -1.186 -16.012 1.00 0.00 H new ATOM 0 HA THR A 55 2.399 -0.678 -13.122 1.00 0.00 H new ATOM 0 HB THR A 55 0.673 1.080 -13.454 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.455 1.953 -15.617 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.186 2.862 -14.242 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.012 1.739 -13.136 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.293 1.629 -14.890 1.00 0.00 H new ATOM 792 N VAL A 56 -0.016 -1.598 -12.951 1.00 0.00 N ATOM 793 CA VAL A 56 -1.192 -2.451 -12.829 1.00 0.00 C ATOM 794 C VAL A 56 -2.419 -1.642 -12.425 1.00 0.00 C ATOM 795 O VAL A 56 -2.334 -0.736 -11.596 1.00 0.00 O ATOM 796 CB VAL A 56 -0.968 -3.572 -11.797 1.00 0.00 C ATOM 797 CG1 VAL A 56 0.068 -4.565 -12.303 1.00 0.00 C ATOM 798 CG2 VAL A 56 -0.546 -2.987 -10.458 1.00 0.00 C ATOM 0 H VAL A 56 0.221 -1.083 -12.103 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.361 -2.897 -13.809 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.909 -4.104 -11.656 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.213 -5.350 -11.560 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.278 -5.008 -13.237 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.013 -4.049 -12.475 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.392 -3.793 -9.741 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.382 -2.429 -10.581 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.325 -2.319 -10.091 1.00 0.00 H new ATOM 808 N THR A 57 -3.562 -1.975 -13.017 1.00 0.00 N ATOM 809 CA THR A 57 -4.808 -1.280 -12.720 1.00 0.00 C ATOM 810 C THR A 57 -5.291 -1.595 -11.309 1.00 0.00 C ATOM 811 O THR A 57 -5.005 -2.664 -10.769 1.00 0.00 O ATOM 812 CB THR A 57 -5.914 -1.654 -13.725 1.00 0.00 C ATOM 813 OG1 THR A 57 -5.376 -1.698 -15.051 1.00 0.00 O ATOM 814 CG2 THR A 57 -7.057 -0.652 -13.669 1.00 0.00 C ATOM 0 H THR A 57 -3.650 -2.722 -13.705 1.00 0.00 H new ATOM 0 HA THR A 57 -4.601 -0.213 -12.800 1.00 0.00 H new ATOM 0 HB THR A 57 -6.301 -2.637 -13.457 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.085 -1.938 -15.684 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.826 -0.937 -14.387 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.483 -0.642 -12.666 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.682 0.342 -13.914 1.00 0.00 H new ATOM 822 N VAL A 58 -6.026 -0.659 -10.717 1.00 0.00 N ATOM 823 CA VAL A 58 -6.550 -0.838 -9.368 1.00 0.00 C ATOM 824 C VAL A 58 -8.052 -1.098 -9.393 1.00 0.00 C ATOM 825 O VAL A 58 -8.795 -0.443 -10.125 1.00 0.00 O ATOM 826 CB VAL A 58 -6.268 0.393 -8.488 1.00 0.00 C ATOM 827 CG1 VAL A 58 -6.852 0.200 -7.096 1.00 0.00 C ATOM 828 CG2 VAL A 58 -4.773 0.664 -8.414 1.00 0.00 C ATOM 0 H VAL A 58 -6.272 0.231 -11.150 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.041 -1.703 -8.943 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.749 1.259 -8.941 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.643 1.080 -6.488 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.930 0.058 -7.170 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.402 -0.677 -6.631 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.592 1.538 -7.788 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.267 -0.201 -7.985 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.387 0.850 -9.416 1.00 0.00 H new ATOM 838 N CYS A 59 -8.494 -2.058 -8.588 1.00 0.00 N ATOM 839 CA CYS A 59 -9.908 -2.406 -8.517 1.00 0.00 C ATOM 840 C CYS A 59 -10.655 -1.460 -7.580 1.00 0.00 C ATOM 841 O CYS A 59 -10.573 -1.587 -6.359 1.00 0.00 O ATOM 842 CB CYS A 59 -10.076 -3.850 -8.040 1.00 0.00 C ATOM 843 SG CYS A 59 -11.807 -4.415 -7.974 1.00 0.00 S ATOM 0 H CYS A 59 -7.893 -2.609 -7.975 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.331 -2.309 -9.517 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -9.515 -4.508 -8.704 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -9.635 -3.947 -7.048 1.00 0.00 H new ATOM 0 HG CYS A 59 -12.588 -3.397 -7.765 1.00 0.00 H new ATOM 848 N MET A 60 -11.382 -0.512 -8.163 1.00 0.00 N ATOM 849 CA MET A 60 -12.144 0.454 -7.381 1.00 0.00 C ATOM 850 C MET A 60 -12.992 -0.248 -6.325 1.00 0.00 C ATOM 851 O MET A 60 -12.868 0.029 -5.131 1.00 0.00 O ATOM 852 CB MET A 60 -13.039 1.291 -8.296 1.00 0.00 C ATOM 853 CG MET A 60 -13.970 2.229 -7.545 1.00 0.00 C ATOM 854 SD MET A 60 -13.138 3.112 -6.212 1.00 0.00 S ATOM 855 CE MET A 60 -11.801 3.898 -7.108 1.00 0.00 C ATOM 0 H MET A 60 -11.459 -0.393 -9.173 1.00 0.00 H new ATOM 0 HA MET A 60 -11.437 1.112 -6.875 1.00 0.00 H new ATOM 0 HB2 MET A 60 -12.411 1.877 -8.968 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.635 0.623 -8.918 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.394 2.950 -8.244 1.00 0.00 H new ATOM 0 HG3 MET A 60 -14.801 1.657 -7.133 1.00 0.00 H new ATOM 0 HE1 MET A 60 -11.621 4.891 -6.695 1.00 0.00 H new ATOM 0 HE2 MET A 60 -10.897 3.296 -7.014 1.00 0.00 H new ATOM 0 HE3 MET A 60 -12.071 3.986 -8.160 1.00 0.00 H new ATOM 865 N ASP A 61 -13.851 -1.157 -6.771 1.00 0.00 N ATOM 866 CA ASP A 61 -14.719 -1.899 -5.865 1.00 0.00 C ATOM 867 C ASP A 61 -13.948 -2.363 -4.633 1.00 0.00 C ATOM 868 O ASP A 61 -14.315 -2.044 -3.502 1.00 0.00 O ATOM 869 CB ASP A 61 -15.332 -3.103 -6.582 1.00 0.00 C ATOM 870 CG ASP A 61 -15.946 -2.731 -7.917 1.00 0.00 C ATOM 871 OD1 ASP A 61 -15.182 -2.450 -8.863 1.00 0.00 O ATOM 872 OD2 ASP A 61 -17.191 -2.719 -8.015 1.00 0.00 O ATOM 0 H ASP A 61 -13.965 -1.398 -7.756 1.00 0.00 H new ATOM 0 HA ASP A 61 -15.519 -1.233 -5.542 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -14.563 -3.860 -6.737 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -16.096 -3.551 -5.946 1.00 0.00 H new ATOM 877 N TYR A 62 -12.880 -3.119 -4.860 1.00 0.00 N ATOM 878 CA TYR A 62 -12.059 -3.630 -3.769 1.00 0.00 C ATOM 879 C TYR A 62 -11.699 -2.517 -2.790 1.00 0.00 C ATOM 880 O TYR A 62 -11.869 -2.662 -1.579 1.00 0.00 O ATOM 881 CB TYR A 62 -10.784 -4.272 -4.320 1.00 0.00 C ATOM 882 CG TYR A 62 -9.929 -4.927 -3.259 1.00 0.00 C ATOM 883 CD1 TYR A 62 -10.478 -5.827 -2.353 1.00 0.00 C ATOM 884 CD2 TYR A 62 -8.571 -4.647 -3.162 1.00 0.00 C ATOM 885 CE1 TYR A 62 -9.700 -6.427 -1.382 1.00 0.00 C ATOM 886 CE2 TYR A 62 -7.786 -5.243 -2.195 1.00 0.00 C ATOM 887 CZ TYR A 62 -8.355 -6.132 -1.307 1.00 0.00 C ATOM 888 OH TYR A 62 -7.577 -6.729 -0.341 1.00 0.00 O ATOM 0 H TYR A 62 -12.562 -3.392 -5.790 1.00 0.00 H new ATOM 0 HA TYR A 62 -12.637 -4.385 -3.236 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -11.056 -5.018 -5.067 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -10.195 -3.510 -4.830 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.531 -6.061 -2.409 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -8.122 -3.951 -3.855 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -10.143 -7.123 -0.685 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -6.732 -5.014 -2.134 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.653 -6.415 -0.425 1.00 0.00 H new ATOM 898 N ILE A 63 -11.202 -1.407 -3.324 1.00 0.00 N ATOM 899 CA ILE A 63 -10.820 -0.268 -2.498 1.00 0.00 C ATOM 900 C ILE A 63 -11.910 0.068 -1.486 1.00 0.00 C ATOM 901 O ILE A 63 -11.624 0.385 -0.331 1.00 0.00 O ATOM 902 CB ILE A 63 -10.531 0.978 -3.356 1.00 0.00 C ATOM 903 CG1 ILE A 63 -9.372 0.705 -4.317 1.00 0.00 C ATOM 904 CG2 ILE A 63 -10.219 2.173 -2.468 1.00 0.00 C ATOM 905 CD1 ILE A 63 -8.104 0.260 -3.623 1.00 0.00 C ATOM 0 H ILE A 63 -11.054 -1.272 -4.324 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.911 -0.554 -1.968 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.419 1.209 -3.944 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.675 -0.062 -5.030 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.165 1.609 -4.890 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -10.017 3.045 -3.090 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.072 2.378 -1.821 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.344 1.953 -1.856 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.325 0.085 -4.365 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.777 1.035 -2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.295 -0.661 -3.073 1.00 0.00 H new ATOM 917 N LYS A 64 -13.161 -0.006 -1.926 1.00 0.00 N ATOM 918 CA LYS A 64 -14.297 0.287 -1.059 1.00 0.00 C ATOM 919 C LYS A 64 -14.441 -0.776 0.025 1.00 0.00 C ATOM 920 O LYS A 64 -14.978 -0.511 1.100 1.00 0.00 O ATOM 921 CB LYS A 64 -15.585 0.370 -1.881 1.00 0.00 C ATOM 922 CG LYS A 64 -15.613 1.538 -2.852 1.00 0.00 C ATOM 923 CD LYS A 64 -17.036 1.927 -3.215 1.00 0.00 C ATOM 924 CE LYS A 64 -17.714 2.681 -2.081 1.00 0.00 C ATOM 925 NZ LYS A 64 -17.085 4.010 -1.844 1.00 0.00 N ATOM 0 H LYS A 64 -13.415 -0.267 -2.879 1.00 0.00 H new ATOM 0 HA LYS A 64 -14.117 1.249 -0.579 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.711 -0.558 -2.439 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -16.434 0.452 -1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -15.103 2.393 -2.409 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -15.065 1.274 -3.756 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -17.027 2.547 -4.112 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -17.610 1.031 -3.452 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -18.770 2.816 -2.315 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -17.663 2.087 -1.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -17.749 4.621 -1.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.218 3.889 -1.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -16.849 4.450 -2.756 1.00 0.00 H new ATOM 939 N GLY A 65 -13.956 -1.980 -0.263 1.00 0.00 N ATOM 940 CA GLY A 65 -14.039 -3.063 0.698 1.00 0.00 C ATOM 941 C GLY A 65 -14.832 -4.244 0.173 1.00 0.00 C ATOM 942 O GLY A 65 -14.718 -5.356 0.691 1.00 0.00 O ATOM 0 H GLY A 65 -13.507 -2.224 -1.146 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.033 -3.392 0.958 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.502 -2.697 1.614 1.00 0.00 H new ATOM 946 N ARG A 66 -15.638 -4.004 -0.856 1.00 0.00 N ATOM 947 CA ARG A 66 -16.454 -5.056 -1.449 1.00 0.00 C ATOM 948 C ARG A 66 -16.257 -5.111 -2.961 1.00 0.00 C ATOM 949 O ARG A 66 -16.757 -4.258 -3.694 1.00 0.00 O ATOM 950 CB ARG A 66 -17.932 -4.827 -1.125 1.00 0.00 C ATOM 951 CG ARG A 66 -18.310 -5.209 0.297 1.00 0.00 C ATOM 952 CD ARG A 66 -19.804 -5.058 0.536 1.00 0.00 C ATOM 953 NE ARG A 66 -20.215 -3.656 0.564 1.00 0.00 N ATOM 954 CZ ARG A 66 -21.315 -3.225 1.170 1.00 0.00 C ATOM 955 NH1 ARG A 66 -22.111 -4.082 1.795 1.00 0.00 N ATOM 956 NH2 ARG A 66 -21.622 -1.934 1.152 1.00 0.00 N ATOM 0 H ARG A 66 -15.743 -3.090 -1.296 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.138 -6.009 -1.024 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -18.172 -3.776 -1.286 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -18.541 -5.403 -1.821 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -18.012 -6.240 0.489 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -17.763 -4.582 1.001 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -20.351 -5.581 -0.249 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -20.070 -5.533 1.481 1.00 0.00 H new ATOM 0 HE ARG A 66 -19.625 -2.971 0.092 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -21.879 -5.075 1.811 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -22.955 -3.748 2.260 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -21.013 -1.272 0.672 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -22.467 -1.604 1.618 1.00 0.00 H new ATOM 970 N CYS A 67 -15.523 -6.119 -3.420 1.00 0.00 N ATOM 971 CA CYS A 67 -15.258 -6.286 -4.844 1.00 0.00 C ATOM 972 C CYS A 67 -16.217 -7.300 -5.461 1.00 0.00 C ATOM 973 O CYS A 67 -16.027 -8.508 -5.330 1.00 0.00 O ATOM 974 CB CYS A 67 -13.812 -6.735 -5.065 1.00 0.00 C ATOM 975 SG CYS A 67 -13.516 -7.518 -6.683 1.00 0.00 S ATOM 0 H CYS A 67 -15.101 -6.833 -2.826 1.00 0.00 H new ATOM 0 HA CYS A 67 -15.412 -5.324 -5.332 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -13.155 -5.871 -4.966 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -13.536 -7.437 -4.278 1.00 0.00 H new ATOM 0 HG CYS A 67 -12.896 -6.682 -7.463 1.00 0.00 H new ATOM 980 N MET A 68 -17.247 -6.798 -6.133 1.00 0.00 N ATOM 981 CA MET A 68 -18.235 -7.659 -6.772 1.00 0.00 C ATOM 982 C MET A 68 -17.965 -7.779 -8.269 1.00 0.00 C ATOM 983 O MET A 68 -18.399 -8.735 -8.912 1.00 0.00 O ATOM 984 CB MET A 68 -19.646 -7.115 -6.539 1.00 0.00 C ATOM 985 CG MET A 68 -19.912 -5.795 -7.245 1.00 0.00 C ATOM 986 SD MET A 68 -21.655 -5.333 -7.218 1.00 0.00 S ATOM 987 CE MET A 68 -21.562 -3.705 -6.475 1.00 0.00 C ATOM 0 H MET A 68 -17.419 -5.799 -6.249 1.00 0.00 H new ATOM 0 HA MET A 68 -18.158 -8.650 -6.326 1.00 0.00 H new ATOM 0 HB2 MET A 68 -20.372 -7.853 -6.880 1.00 0.00 H new ATOM 0 HB3 MET A 68 -19.804 -6.984 -5.469 1.00 0.00 H new ATOM 0 HG2 MET A 68 -19.324 -5.009 -6.771 1.00 0.00 H new ATOM 0 HG3 MET A 68 -19.575 -5.866 -8.279 1.00 0.00 H new ATOM 0 HE1 MET A 68 -22.565 -3.286 -6.390 1.00 0.00 H new ATOM 0 HE2 MET A 68 -21.116 -3.783 -5.483 1.00 0.00 H new ATOM 0 HE3 MET A 68 -20.948 -3.055 -7.099 1.00 0.00 H new ATOM 997 N ARG A 69 -17.247 -6.804 -8.816 1.00 0.00 N ATOM 998 CA ARG A 69 -16.921 -6.801 -10.237 1.00 0.00 C ATOM 999 C ARG A 69 -16.645 -8.216 -10.735 1.00 0.00 C ATOM 1000 O ARG A 69 -15.528 -8.718 -10.618 1.00 0.00 O ATOM 1001 CB ARG A 69 -15.706 -5.909 -10.501 1.00 0.00 C ATOM 1002 CG ARG A 69 -15.823 -5.082 -11.771 1.00 0.00 C ATOM 1003 CD ARG A 69 -14.457 -4.795 -12.376 1.00 0.00 C ATOM 1004 NE ARG A 69 -14.485 -3.636 -13.264 1.00 0.00 N ATOM 1005 CZ ARG A 69 -14.373 -2.382 -12.839 1.00 0.00 C ATOM 1006 NH1 ARG A 69 -14.226 -2.127 -11.547 1.00 0.00 N ATOM 1007 NH2 ARG A 69 -14.407 -1.380 -13.709 1.00 0.00 N ATOM 0 H ARG A 69 -16.880 -6.006 -8.297 1.00 0.00 H new ATOM 0 HA ARG A 69 -17.779 -6.405 -10.780 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -15.566 -5.239 -9.653 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -14.815 -6.533 -10.564 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -16.439 -5.613 -12.497 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -16.329 -4.142 -11.549 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -13.736 -4.622 -11.577 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.115 -5.669 -12.931 1.00 0.00 H new ATOM 0 HE ARG A 69 -14.597 -3.798 -14.265 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -14.199 -2.894 -10.876 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -14.140 -1.163 -11.224 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -14.519 -1.572 -14.704 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -14.321 -0.418 -13.382 1.00 0.00 H new ATOM 1021 N GLU A 70 -17.671 -8.854 -11.291 1.00 0.00 N ATOM 1022 CA GLU A 70 -17.538 -10.212 -11.805 1.00 0.00 C ATOM 1023 C GLU A 70 -16.179 -10.411 -12.469 1.00 0.00 C ATOM 1024 O GLU A 70 -15.611 -9.480 -13.041 1.00 0.00 O ATOM 1025 CB GLU A 70 -18.656 -10.514 -12.805 1.00 0.00 C ATOM 1026 CG GLU A 70 -18.566 -11.901 -13.418 1.00 0.00 C ATOM 1027 CD GLU A 70 -19.729 -12.208 -14.342 1.00 0.00 C ATOM 1028 OE1 GLU A 70 -20.362 -11.252 -14.837 1.00 0.00 O ATOM 1029 OE2 GLU A 70 -20.005 -13.404 -14.570 1.00 0.00 O ATOM 0 H GLU A 70 -18.603 -8.452 -11.397 1.00 0.00 H new ATOM 0 HA GLU A 70 -17.617 -10.901 -10.964 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -19.618 -10.409 -12.304 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -18.629 -9.771 -13.602 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -17.632 -11.988 -13.974 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -18.534 -12.645 -12.622 1.00 0.00 H new ATOM 1036 N LYS A 71 -15.662 -11.633 -12.388 1.00 0.00 N ATOM 1037 CA LYS A 71 -14.370 -11.957 -12.981 1.00 0.00 C ATOM 1038 C LYS A 71 -13.417 -10.769 -12.893 1.00 0.00 C ATOM 1039 O LYS A 71 -12.768 -10.407 -13.874 1.00 0.00 O ATOM 1040 CB LYS A 71 -14.547 -12.375 -14.442 1.00 0.00 C ATOM 1041 CG LYS A 71 -13.295 -12.976 -15.059 1.00 0.00 C ATOM 1042 CD LYS A 71 -13.167 -14.454 -14.733 1.00 0.00 C ATOM 1043 CE LYS A 71 -13.855 -15.317 -15.780 1.00 0.00 C ATOM 1044 NZ LYS A 71 -13.139 -15.283 -17.085 1.00 0.00 N ATOM 0 H LYS A 71 -16.118 -12.415 -11.918 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.940 -12.787 -12.421 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -15.358 -13.100 -14.508 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -14.848 -11.505 -15.026 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.321 -12.842 -16.140 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.417 -12.444 -14.693 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.113 -14.724 -14.673 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.603 -14.651 -13.754 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.911 -16.345 -15.423 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.880 -14.972 -15.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.388 -16.127 -17.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.416 -14.429 -17.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.113 -15.269 -16.918 1.00 0.00 H new ATOM 1058 N CYS A 72 -13.336 -10.168 -11.711 1.00 0.00 N ATOM 1059 CA CYS A 72 -12.461 -9.022 -11.493 1.00 0.00 C ATOM 1060 C CYS A 72 -11.007 -9.385 -11.781 1.00 0.00 C ATOM 1061 O CYS A 72 -10.343 -10.027 -10.968 1.00 0.00 O ATOM 1062 CB CYS A 72 -12.597 -8.516 -10.056 1.00 0.00 C ATOM 1063 SG CYS A 72 -11.098 -7.708 -9.408 1.00 0.00 S ATOM 0 H CYS A 72 -13.866 -10.456 -10.888 1.00 0.00 H new ATOM 0 HA CYS A 72 -12.762 -8.231 -12.180 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -13.427 -7.811 -10.007 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -12.853 -9.355 -9.409 1.00 0.00 H new ATOM 0 HG CYS A 72 -11.413 -6.556 -8.896 1.00 0.00 H new ATOM 1068 N LYS A 73 -10.519 -8.968 -12.945 1.00 0.00 N ATOM 1069 CA LYS A 73 -9.144 -9.247 -13.341 1.00 0.00 C ATOM 1070 C LYS A 73 -8.236 -8.062 -13.027 1.00 0.00 C ATOM 1071 O LYS A 73 -7.273 -7.797 -13.747 1.00 0.00 O ATOM 1072 CB LYS A 73 -9.078 -9.571 -14.836 1.00 0.00 C ATOM 1073 CG LYS A 73 -9.625 -8.466 -15.722 1.00 0.00 C ATOM 1074 CD LYS A 73 -9.439 -8.789 -17.195 1.00 0.00 C ATOM 1075 CE LYS A 73 -8.034 -8.449 -17.668 1.00 0.00 C ATOM 1076 NZ LYS A 73 -7.988 -8.200 -19.136 1.00 0.00 N ATOM 0 H LYS A 73 -11.056 -8.436 -13.630 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.796 -10.109 -12.772 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.042 -9.767 -15.111 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.637 -10.487 -15.026 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.685 -8.320 -15.511 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.122 -7.528 -15.488 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.634 -9.848 -17.364 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.167 -8.233 -17.785 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.676 -7.566 -17.138 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.358 -9.267 -17.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.014 -7.972 -19.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.305 -9.051 -19.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.613 -7.403 -19.373 1.00 0.00 H new ATOM 1090 N TYR A 74 -8.548 -7.353 -11.948 1.00 0.00 N ATOM 1091 CA TYR A 74 -7.761 -6.196 -11.539 1.00 0.00 C ATOM 1092 C TYR A 74 -6.837 -6.548 -10.378 1.00 0.00 C ATOM 1093 O TYR A 74 -7.074 -7.513 -9.650 1.00 0.00 O ATOM 1094 CB TYR A 74 -8.682 -5.042 -11.140 1.00 0.00 C ATOM 1095 CG TYR A 74 -9.339 -4.356 -12.317 1.00 0.00 C ATOM 1096 CD1 TYR A 74 -9.946 -5.095 -13.326 1.00 0.00 C ATOM 1097 CD2 TYR A 74 -9.353 -2.971 -12.421 1.00 0.00 C ATOM 1098 CE1 TYR A 74 -10.546 -4.473 -14.403 1.00 0.00 C ATOM 1099 CE2 TYR A 74 -9.953 -2.341 -13.494 1.00 0.00 C ATOM 1100 CZ TYR A 74 -10.548 -3.096 -14.483 1.00 0.00 C ATOM 1101 OH TYR A 74 -11.145 -2.472 -15.554 1.00 0.00 O ATOM 0 H TYR A 74 -9.341 -7.559 -11.340 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.149 -5.888 -12.386 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.456 -5.420 -10.472 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.107 -4.307 -10.577 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -9.948 -6.173 -13.267 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.887 -2.376 -11.650 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -11.012 -5.062 -15.179 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.956 -1.263 -13.558 1.00 0.00 H new ATOM 0 HH TYR A 74 -11.059 -1.501 -15.456 1.00 0.00 H new ATOM 1111 N PHE A 75 -5.781 -5.759 -10.210 1.00 0.00 N ATOM 1112 CA PHE A 75 -4.819 -5.986 -9.138 1.00 0.00 C ATOM 1113 C PHE A 75 -5.375 -5.512 -7.799 1.00 0.00 C ATOM 1114 O PHE A 75 -5.916 -4.411 -7.693 1.00 0.00 O ATOM 1115 CB PHE A 75 -3.505 -5.264 -9.442 1.00 0.00 C ATOM 1116 CG PHE A 75 -2.551 -5.241 -8.281 1.00 0.00 C ATOM 1117 CD1 PHE A 75 -2.615 -4.231 -7.335 1.00 0.00 C ATOM 1118 CD2 PHE A 75 -1.592 -6.230 -8.137 1.00 0.00 C ATOM 1119 CE1 PHE A 75 -1.739 -4.207 -6.267 1.00 0.00 C ATOM 1120 CE2 PHE A 75 -0.712 -6.211 -7.070 1.00 0.00 C ATOM 1121 CZ PHE A 75 -0.787 -5.199 -6.134 1.00 0.00 C ATOM 0 H PHE A 75 -5.570 -4.956 -10.803 1.00 0.00 H new ATOM 0 HA PHE A 75 -4.630 -7.058 -9.074 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.021 -5.749 -10.290 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.724 -4.239 -9.743 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.358 -3.454 -7.434 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.531 -7.025 -8.866 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -1.798 -3.413 -5.537 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.033 -6.987 -6.969 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.102 -5.183 -5.299 1.00 0.00 H new ATOM 1131 N HIS A 76 -5.239 -6.352 -6.778 1.00 0.00 N ATOM 1132 CA HIS A 76 -5.728 -6.020 -5.444 1.00 0.00 C ATOM 1133 C HIS A 76 -4.573 -5.642 -4.521 1.00 0.00 C ATOM 1134 O HIS A 76 -3.843 -6.497 -4.018 1.00 0.00 O ATOM 1135 CB HIS A 76 -6.504 -7.198 -4.854 1.00 0.00 C ATOM 1136 CG HIS A 76 -7.962 -7.187 -5.197 1.00 0.00 C ATOM 1137 ND1 HIS A 76 -8.927 -7.758 -4.395 1.00 0.00 N ATOM 1138 CD2 HIS A 76 -8.617 -6.668 -6.261 1.00 0.00 C ATOM 1139 CE1 HIS A 76 -10.113 -7.593 -4.953 1.00 0.00 C ATOM 1140 NE2 HIS A 76 -9.953 -6.934 -6.086 1.00 0.00 N ATOM 0 H HIS A 76 -4.794 -7.267 -6.849 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.396 -5.163 -5.531 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -6.062 -8.128 -5.211 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -6.394 -7.188 -3.770 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -8.172 -6.142 -7.093 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -11.054 -7.939 -4.551 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -10.700 -6.666 -6.727 1.00 0.00 H new ATOM 1148 N PRO A 77 -4.403 -4.332 -4.292 1.00 0.00 N ATOM 1149 CA PRO A 77 -3.338 -3.811 -3.429 1.00 0.00 C ATOM 1150 C PRO A 77 -3.573 -4.137 -1.958 1.00 0.00 C ATOM 1151 O PRO A 77 -4.688 -4.444 -1.536 1.00 0.00 O ATOM 1152 CB PRO A 77 -3.403 -2.299 -3.658 1.00 0.00 C ATOM 1153 CG PRO A 77 -4.807 -2.040 -4.085 1.00 0.00 C ATOM 1154 CD PRO A 77 -5.235 -3.257 -4.858 1.00 0.00 C ATOM 0 HA PRO A 77 -2.369 -4.251 -3.667 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.158 -1.750 -2.749 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.692 -1.983 -4.422 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.454 -1.878 -3.223 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.868 -1.144 -4.702 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.298 -3.462 -4.729 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.061 -3.135 -5.927 1.00 0.00 H new ATOM 1162 N PRO A 78 -2.500 -4.069 -1.157 1.00 0.00 N ATOM 1163 CA PRO A 78 -2.565 -4.352 0.280 1.00 0.00 C ATOM 1164 C PRO A 78 -3.329 -3.279 1.049 1.00 0.00 C ATOM 1165 O PRO A 78 -3.827 -2.319 0.463 1.00 0.00 O ATOM 1166 CB PRO A 78 -1.094 -4.370 0.705 1.00 0.00 C ATOM 1167 CG PRO A 78 -0.400 -3.513 -0.297 1.00 0.00 C ATOM 1168 CD PRO A 78 -1.140 -3.708 -1.592 1.00 0.00 C ATOM 0 HA PRO A 78 -3.095 -5.282 0.489 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.969 -3.979 1.715 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.694 -5.384 0.704 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.415 -2.466 0.007 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.647 -3.800 -0.398 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.139 -2.801 -2.196 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -0.690 -4.495 -2.198 1.00 0.00 H new ATOM 1176 N ALA A 79 -3.417 -3.450 2.364 1.00 0.00 N ATOM 1177 CA ALA A 79 -4.118 -2.495 3.213 1.00 0.00 C ATOM 1178 C ALA A 79 -3.425 -1.136 3.199 1.00 0.00 C ATOM 1179 O ALA A 79 -3.979 -0.151 2.711 1.00 0.00 O ATOM 1180 CB ALA A 79 -4.215 -3.025 4.635 1.00 0.00 C ATOM 0 H ALA A 79 -3.012 -4.241 2.864 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.125 -2.364 2.816 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.741 -2.301 5.258 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.761 -3.968 4.635 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.213 -3.186 5.033 1.00 0.00 H new ATOM 1186 N HIS A 80 -2.211 -1.091 3.739 1.00 0.00 N ATOM 1187 CA HIS A 80 -1.443 0.148 3.788 1.00 0.00 C ATOM 1188 C HIS A 80 -1.643 0.963 2.514 1.00 0.00 C ATOM 1189 O HIS A 80 -1.945 2.156 2.569 1.00 0.00 O ATOM 1190 CB HIS A 80 0.043 -0.156 3.985 1.00 0.00 C ATOM 1191 CG HIS A 80 0.614 -1.056 2.932 1.00 0.00 C ATOM 1192 ND1 HIS A 80 0.498 -2.429 2.972 1.00 0.00 N ATOM 1193 CD2 HIS A 80 1.308 -0.771 1.806 1.00 0.00 C ATOM 1194 CE1 HIS A 80 1.097 -2.950 1.916 1.00 0.00 C ATOM 1195 NE2 HIS A 80 1.596 -1.965 1.192 1.00 0.00 N ATOM 0 H HIS A 80 -1.739 -1.897 4.148 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.802 0.735 4.633 1.00 0.00 H new ATOM 0 HB2 HIS A 80 0.600 0.781 3.991 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.185 -0.618 4.962 1.00 0.00 H new ATOM 0 HD2 HIS A 80 1.584 0.213 1.455 1.00 0.00 H new ATOM 0 HE1 HIS A 80 1.167 -4.003 1.684 1.00 0.00 H new ATOM 0 HE2 HIS A 80 2.112 -2.073 0.319 1.00 0.00 H new ATOM 1203 N LEU A 81 -1.472 0.312 1.369 1.00 0.00 N ATOM 1204 CA LEU A 81 -1.634 0.977 0.080 1.00 0.00 C ATOM 1205 C LEU A 81 -3.096 1.330 -0.171 1.00 0.00 C ATOM 1206 O LEU A 81 -3.431 2.490 -0.411 1.00 0.00 O ATOM 1207 CB LEU A 81 -1.113 0.082 -1.046 1.00 0.00 C ATOM 1208 CG LEU A 81 0.390 0.152 -1.318 1.00 0.00 C ATOM 1209 CD1 LEU A 81 0.794 -0.886 -2.353 1.00 0.00 C ATOM 1210 CD2 LEU A 81 0.785 1.547 -1.777 1.00 0.00 C ATOM 0 H LEU A 81 -1.221 -0.675 1.306 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.055 1.900 0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.372 -0.951 -0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.641 0.342 -1.964 1.00 0.00 H new ATOM 0 HG LEU A 81 0.918 -0.066 -0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.867 -0.821 -2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.548 -1.882 -1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.258 -0.700 -3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.858 1.578 -1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.248 1.794 -2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.532 2.270 -1.002 1.00 0.00 H new ATOM 1222 N GLN A 82 -3.962 0.323 -0.112 1.00 0.00 N ATOM 1223 CA GLN A 82 -5.388 0.529 -0.331 1.00 0.00 C ATOM 1224 C GLN A 82 -5.836 1.877 0.225 1.00 0.00 C ATOM 1225 O GLN A 82 -6.691 2.546 -0.355 1.00 0.00 O ATOM 1226 CB GLN A 82 -6.194 -0.598 0.318 1.00 0.00 C ATOM 1227 CG GLN A 82 -6.465 -1.767 -0.614 1.00 0.00 C ATOM 1228 CD GLN A 82 -7.284 -2.860 0.044 1.00 0.00 C ATOM 1229 OE1 GLN A 82 -8.497 -2.945 -0.151 1.00 0.00 O ATOM 1230 NE2 GLN A 82 -6.625 -3.703 0.829 1.00 0.00 N ATOM 0 H GLN A 82 -3.701 -0.643 0.086 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.569 0.522 -1.406 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.656 -0.960 1.194 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.144 -0.197 0.670 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.990 -1.407 -1.499 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.517 -2.183 -0.954 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -5.619 -3.596 0.962 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.124 -4.458 1.299 1.00 0.00 H new ATOM 1239 N ALA A 83 -5.253 2.268 1.354 1.00 0.00 N ATOM 1240 CA ALA A 83 -5.591 3.536 1.988 1.00 0.00 C ATOM 1241 C ALA A 83 -5.102 4.715 1.153 1.00 0.00 C ATOM 1242 O ALA A 83 -5.837 5.676 0.926 1.00 0.00 O ATOM 1243 CB ALA A 83 -5.002 3.599 3.389 1.00 0.00 C ATOM 0 H ALA A 83 -4.545 1.725 1.848 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.677 3.600 2.059 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.262 4.551 3.851 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.404 2.783 3.990 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.917 3.508 3.332 1.00 0.00 H new ATOM 1249 N LYS A 84 -3.856 4.635 0.699 1.00 0.00 N ATOM 1250 CA LYS A 84 -3.267 5.695 -0.111 1.00 0.00 C ATOM 1251 C LYS A 84 -4.261 6.200 -1.152 1.00 0.00 C ATOM 1252 O LYS A 84 -4.279 7.386 -1.482 1.00 0.00 O ATOM 1253 CB LYS A 84 -1.999 5.190 -0.805 1.00 0.00 C ATOM 1254 CG LYS A 84 -0.740 5.370 0.025 1.00 0.00 C ATOM 1255 CD LYS A 84 0.477 5.613 -0.853 1.00 0.00 C ATOM 1256 CE LYS A 84 0.698 7.097 -1.101 1.00 0.00 C ATOM 1257 NZ LYS A 84 1.185 7.797 0.120 1.00 0.00 N ATOM 0 H LYS A 84 -3.234 3.847 0.878 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.008 6.522 0.550 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.120 4.133 -1.041 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.879 5.717 -1.752 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.870 6.209 0.708 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.577 4.483 0.637 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.361 5.187 -0.378 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.348 5.099 -1.806 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.421 7.227 -1.907 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.235 7.553 -1.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.624 8.701 -0.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.385 7.978 0.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.887 7.202 0.604 1.00 0.00 H new ATOM 1271 N ILE A 85 -5.087 5.294 -1.664 1.00 0.00 N ATOM 1272 CA ILE A 85 -6.085 5.649 -2.665 1.00 0.00 C ATOM 1273 C ILE A 85 -7.326 6.252 -2.014 1.00 0.00 C ATOM 1274 O ILE A 85 -7.828 7.288 -2.450 1.00 0.00 O ATOM 1275 CB ILE A 85 -6.501 4.427 -3.503 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -5.297 3.869 -4.265 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -7.617 4.801 -4.468 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -4.484 2.875 -3.465 1.00 0.00 C ATOM 0 H ILE A 85 -5.085 4.308 -1.402 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.625 6.389 -3.320 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.872 3.654 -2.830 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -5.646 3.389 -5.179 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.653 4.695 -4.565 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.900 3.926 -5.053 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.480 5.156 -3.906 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.271 5.589 -5.137 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.647 2.521 -4.067 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.105 3.357 -2.564 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.114 2.030 -3.187 1.00 0.00 H new ATOM 1290 N LYS A 86 -7.814 5.597 -0.966 1.00 0.00 N ATOM 1291 CA LYS A 86 -8.995 6.068 -0.251 1.00 0.00 C ATOM 1292 C LYS A 86 -8.796 7.497 0.244 1.00 0.00 C ATOM 1293 O LYS A 86 -9.587 8.387 -0.066 1.00 0.00 O ATOM 1294 CB LYS A 86 -9.303 5.146 0.930 1.00 0.00 C ATOM 1295 CG LYS A 86 -9.906 3.813 0.520 1.00 0.00 C ATOM 1296 CD LYS A 86 -10.330 2.997 1.729 1.00 0.00 C ATOM 1297 CE LYS A 86 -9.145 2.292 2.370 1.00 0.00 C ATOM 1298 NZ LYS A 86 -9.569 1.376 3.464 1.00 0.00 N ATOM 0 H LYS A 86 -7.410 4.738 -0.593 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.837 6.055 -0.943 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.384 4.964 1.487 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.990 5.653 1.607 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.768 3.986 -0.124 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.179 3.248 -0.064 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.806 3.650 2.461 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.074 2.259 1.428 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.606 1.725 1.611 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.452 3.034 2.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.732 0.915 3.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.061 1.920 4.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.210 0.652 3.082 1.00 0.00 H new ATOM 1312 N ALA A 87 -7.734 7.709 1.014 1.00 0.00 N ATOM 1313 CA ALA A 87 -7.430 9.031 1.549 1.00 0.00 C ATOM 1314 C ALA A 87 -7.446 10.086 0.448 1.00 0.00 C ATOM 1315 O ALA A 87 -7.954 11.190 0.641 1.00 0.00 O ATOM 1316 CB ALA A 87 -6.080 9.018 2.252 1.00 0.00 C ATOM 0 H ALA A 87 -7.070 6.983 1.281 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.202 9.289 2.274 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.866 10.011 2.647 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.103 8.299 3.071 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.303 8.734 1.542 1.00 0.00 H new