USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 551 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 22 ASN : amide:sc= -0.772 K(o=-0.77,f=-1.4) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.00129 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.262 USER MOD Single : A 34 LYS NZ :NH3+ 159:sc= -0.0546 (180deg=-0.402) USER MOD Single : A 35 SER OG : rot 67:sc= 1.05 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -104:sc= 0.836 (180deg=-0.00953) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -112:sc= -1.36 (180deg=-6.49!) USER MOD Single : A 69 MET CE :methyl -111:sc= -0.961 (180deg=-4.15!) USER MOD Single : A 70 ASN : amide:sc= -0.037 X(o=-0.037,f=-0.019) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 210 N VAL A 17 2.541 9.532 0.160 1.00 0.00 N ATOM 211 CA VAL A 17 3.293 8.331 0.504 1.00 0.00 C ATOM 212 C VAL A 17 2.374 7.244 1.048 1.00 0.00 C ATOM 213 O VAL A 17 1.464 7.518 1.832 1.00 0.00 O ATOM 214 CB VAL A 17 4.386 8.632 1.545 1.00 0.00 C ATOM 215 CG1 VAL A 17 5.244 7.399 1.792 1.00 0.00 C ATOM 216 CG2 VAL A 17 5.244 9.805 1.095 1.00 0.00 C ATOM 0 HA VAL A 17 3.763 7.979 -0.414 1.00 0.00 H new ATOM 0 HB VAL A 17 3.902 8.904 2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.011 7.632 2.531 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.617 6.588 2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.719 7.094 0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.011 10.003 1.844 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.719 9.565 0.144 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.618 10.689 0.975 1.00 0.00 H new ATOM 226 N LEU A 18 2.616 6.006 0.628 1.00 0.00 N ATOM 227 CA LEU A 18 1.810 4.875 1.074 1.00 0.00 C ATOM 228 C LEU A 18 2.635 3.925 1.936 1.00 0.00 C ATOM 229 O LEU A 18 3.602 3.325 1.466 1.00 0.00 O ATOM 230 CB LEU A 18 1.240 4.124 -0.131 1.00 0.00 C ATOM 231 CG LEU A 18 0.573 4.985 -1.205 1.00 0.00 C ATOM 232 CD1 LEU A 18 0.434 4.205 -2.503 1.00 0.00 C ATOM 233 CD2 LEU A 18 -0.786 5.476 -0.726 1.00 0.00 C ATOM 0 H LEU A 18 3.364 5.761 -0.021 1.00 0.00 H new ATOM 0 HA LEU A 18 0.988 5.261 1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.047 3.559 -0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.510 3.399 0.230 1.00 0.00 H new ATOM 0 HG LEU A 18 1.205 5.853 -1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.043 4.833 -3.256 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.421 3.904 -2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.176 3.318 -2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.246 6.087 -1.502 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.426 4.621 -0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.660 6.072 0.178 1.00 0.00 H new ATOM 245 N PHE A 19 2.245 3.792 3.199 1.00 0.00 N ATOM 246 CA PHE A 19 2.948 2.914 4.127 1.00 0.00 C ATOM 247 C PHE A 19 2.459 1.475 3.990 1.00 0.00 C ATOM 248 O PHE A 19 1.431 1.099 4.554 1.00 0.00 O ATOM 249 CB PHE A 19 2.751 3.395 5.566 1.00 0.00 C ATOM 250 CG PHE A 19 3.764 2.842 6.527 1.00 0.00 C ATOM 251 CD1 PHE A 19 5.119 3.040 6.317 1.00 0.00 C ATOM 252 CD2 PHE A 19 3.362 2.123 7.642 1.00 0.00 C ATOM 253 CE1 PHE A 19 6.054 2.533 7.200 1.00 0.00 C ATOM 254 CE2 PHE A 19 4.292 1.614 8.528 1.00 0.00 C ATOM 255 CZ PHE A 19 5.640 1.818 8.305 1.00 0.00 C ATOM 0 H PHE A 19 1.446 4.281 3.603 1.00 0.00 H new ATOM 0 HA PHE A 19 4.010 2.944 3.883 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.799 4.484 5.586 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.753 3.114 5.901 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.449 3.597 5.453 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.310 1.959 7.820 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.107 2.696 7.025 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.965 1.057 9.394 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.369 1.418 8.995 1.00 0.00 H new ATOM 265 N VAL A 20 3.204 0.672 3.235 1.00 0.00 N ATOM 266 CA VAL A 20 2.848 -0.725 3.023 1.00 0.00 C ATOM 267 C VAL A 20 3.504 -1.624 4.065 1.00 0.00 C ATOM 268 O VAL A 20 4.721 -1.810 4.060 1.00 0.00 O ATOM 269 CB VAL A 20 3.259 -1.201 1.618 1.00 0.00 C ATOM 270 CG1 VAL A 20 2.714 -2.595 1.344 1.00 0.00 C ATOM 271 CG2 VAL A 20 2.783 -0.217 0.560 1.00 0.00 C ATOM 0 H VAL A 20 4.058 0.966 2.761 1.00 0.00 H new ATOM 0 HA VAL A 20 1.764 -0.794 3.119 1.00 0.00 H new ATOM 0 HB VAL A 20 4.347 -1.247 1.575 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.015 -2.914 0.346 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.110 -3.292 2.083 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.626 -2.579 1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.083 -0.570 -0.427 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.697 -0.135 0.602 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.228 0.761 0.746 1.00 0.00 H new ATOM 281 N ARG A 21 2.691 -2.179 4.956 1.00 0.00 N ATOM 282 CA ARG A 21 3.192 -3.058 6.006 1.00 0.00 C ATOM 283 C ARG A 21 2.909 -4.520 5.672 1.00 0.00 C ATOM 284 O ARG A 21 2.138 -4.821 4.762 1.00 0.00 O ATOM 285 CB ARG A 21 2.556 -2.698 7.350 1.00 0.00 C ATOM 286 CG ARG A 21 3.436 -1.821 8.225 1.00 0.00 C ATOM 287 CD ARG A 21 2.788 -1.550 9.574 1.00 0.00 C ATOM 288 NE ARG A 21 3.778 -1.379 10.633 1.00 0.00 N ATOM 289 CZ ARG A 21 3.472 -1.330 11.924 1.00 0.00 C ATOM 290 NH1 ARG A 21 2.210 -1.441 12.314 1.00 0.00 N ATOM 291 NH2 ARG A 21 4.430 -1.172 12.829 1.00 0.00 N ATOM 0 H ARG A 21 1.681 -2.036 4.972 1.00 0.00 H new ATOM 0 HA ARG A 21 4.271 -2.921 6.075 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.611 -2.185 7.169 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.322 -3.616 7.889 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.401 -2.306 8.375 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.630 -0.876 7.717 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.171 -0.654 9.506 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.123 -2.375 9.829 1.00 0.00 H new ATOM 0 HE ARG A 21 4.759 -1.292 10.367 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.471 -1.564 11.622 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.978 -1.403 13.306 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.402 -1.088 12.533 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.194 -1.134 13.821 1.00 0.00 H new ATOM 305 N ASN A 22 3.539 -5.424 6.416 1.00 0.00 N ATOM 306 CA ASN A 22 3.355 -6.854 6.198 1.00 0.00 C ATOM 307 C ASN A 22 3.747 -7.242 4.775 1.00 0.00 C ATOM 308 O ASN A 22 2.888 -7.515 3.936 1.00 0.00 O ATOM 309 CB ASN A 22 1.901 -7.250 6.464 1.00 0.00 C ATOM 310 CG ASN A 22 1.492 -7.011 7.905 1.00 0.00 C ATOM 311 OD1 ASN A 22 2.305 -6.602 8.733 1.00 0.00 O ATOM 312 ND2 ASN A 22 0.225 -7.267 8.210 1.00 0.00 N ATOM 0 H ASN A 22 4.181 -5.192 7.174 1.00 0.00 H new ATOM 0 HA ASN A 22 4.003 -7.388 6.893 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.246 -6.682 5.804 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.763 -8.303 6.220 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.109 -7.126 9.163 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.414 -7.605 7.491 1.00 0.00 H new ATOM 319 N LEU A 23 5.049 -7.265 4.512 1.00 0.00 N ATOM 320 CA LEU A 23 5.555 -7.620 3.190 1.00 0.00 C ATOM 321 C LEU A 23 6.159 -9.021 3.198 1.00 0.00 C ATOM 322 O LEU A 23 6.254 -9.661 4.244 1.00 0.00 O ATOM 323 CB LEU A 23 6.603 -6.604 2.733 1.00 0.00 C ATOM 324 CG LEU A 23 6.065 -5.355 2.033 1.00 0.00 C ATOM 325 CD1 LEU A 23 4.995 -4.686 2.881 1.00 0.00 C ATOM 326 CD2 LEU A 23 7.197 -4.382 1.735 1.00 0.00 C ATOM 0 H LEU A 23 5.773 -7.042 5.195 1.00 0.00 H new ATOM 0 HA LEU A 23 4.718 -7.608 2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.179 -6.289 3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.296 -7.105 2.057 1.00 0.00 H new ATOM 0 HG LEU A 23 5.614 -5.658 1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.624 -3.799 2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.172 -5.382 3.044 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.421 -4.396 3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.796 -3.499 1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.677 -4.086 2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.929 -4.863 1.087 1.00 0.00 H new ATOM 338 N ALA A 24 6.569 -9.489 2.023 1.00 0.00 N ATOM 339 CA ALA A 24 7.168 -10.812 1.895 1.00 0.00 C ATOM 340 C ALA A 24 8.690 -10.725 1.869 1.00 0.00 C ATOM 341 O ALA A 24 9.259 -9.754 1.369 1.00 0.00 O ATOM 342 CB ALA A 24 6.655 -11.504 0.642 1.00 0.00 C ATOM 0 H ALA A 24 6.497 -8.972 1.147 1.00 0.00 H new ATOM 0 HA ALA A 24 6.879 -11.401 2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.110 -12.491 0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.572 -11.608 0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.915 -10.910 -0.234 1.00 0.00 H new ATOM 348 N THR A 25 9.347 -11.747 2.411 1.00 0.00 N ATOM 349 CA THR A 25 10.803 -11.785 2.451 1.00 0.00 C ATOM 350 C THR A 25 11.373 -12.381 1.168 1.00 0.00 C ATOM 351 O THR A 25 12.512 -12.101 0.794 1.00 0.00 O ATOM 352 CB THR A 25 11.311 -12.602 3.654 1.00 0.00 C ATOM 353 OG1 THR A 25 10.460 -12.389 4.785 1.00 0.00 O ATOM 354 CG2 THR A 25 12.740 -12.216 4.005 1.00 0.00 C ATOM 0 H THR A 25 8.893 -12.559 2.828 1.00 0.00 H new ATOM 0 HA THR A 25 11.144 -10.754 2.552 1.00 0.00 H new ATOM 0 HB THR A 25 11.294 -13.658 3.383 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.789 -12.913 5.545 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.077 -12.806 4.857 1.00 0.00 H new ATOM 0 HG22 THR A 25 13.389 -12.409 3.151 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.779 -11.157 4.259 1.00 0.00 H new ATOM 362 N THR A 26 10.573 -13.204 0.497 1.00 0.00 N ATOM 363 CA THR A 26 10.998 -13.840 -0.743 1.00 0.00 C ATOM 364 C THR A 26 10.956 -12.857 -1.907 1.00 0.00 C ATOM 365 O THR A 26 11.675 -13.018 -2.894 1.00 0.00 O ATOM 366 CB THR A 26 10.115 -15.057 -1.081 1.00 0.00 C ATOM 367 OG1 THR A 26 8.732 -14.689 -1.026 1.00 0.00 O ATOM 368 CG2 THR A 26 10.380 -16.202 -0.116 1.00 0.00 C ATOM 0 H THR A 26 9.627 -13.445 0.792 1.00 0.00 H new ATOM 0 HA THR A 26 12.024 -14.176 -0.591 1.00 0.00 H new ATOM 0 HB THR A 26 10.362 -15.389 -2.089 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.178 -15.467 -1.244 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.745 -17.050 -0.374 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.427 -16.499 -0.182 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.158 -15.879 0.901 1.00 0.00 H new ATOM 376 N VAL A 27 10.111 -11.839 -1.786 1.00 0.00 N ATOM 377 CA VAL A 27 9.978 -10.827 -2.827 1.00 0.00 C ATOM 378 C VAL A 27 11.144 -9.846 -2.795 1.00 0.00 C ATOM 379 O VAL A 27 11.858 -9.745 -1.795 1.00 0.00 O ATOM 380 CB VAL A 27 8.659 -10.045 -2.685 1.00 0.00 C ATOM 381 CG1 VAL A 27 7.471 -10.995 -2.690 1.00 0.00 C ATOM 382 CG2 VAL A 27 8.674 -9.202 -1.418 1.00 0.00 C ATOM 0 H VAL A 27 9.508 -11.693 -0.977 1.00 0.00 H new ATOM 0 HA VAL A 27 9.978 -11.354 -3.781 1.00 0.00 H new ATOM 0 HB VAL A 27 8.560 -9.375 -3.539 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.548 -10.424 -2.589 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.453 -11.550 -3.628 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.559 -11.692 -1.857 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.734 -8.656 -1.333 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.796 -9.851 -0.551 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.502 -8.495 -1.461 1.00 0.00 H new ATOM 392 N THR A 28 11.335 -9.123 -3.893 1.00 0.00 N ATOM 393 CA THR A 28 12.415 -8.149 -3.991 1.00 0.00 C ATOM 394 C THR A 28 11.891 -6.790 -4.441 1.00 0.00 C ATOM 395 O THR A 28 10.749 -6.671 -4.880 1.00 0.00 O ATOM 396 CB THR A 28 13.506 -8.617 -4.972 1.00 0.00 C ATOM 397 OG1 THR A 28 14.609 -7.704 -4.951 1.00 0.00 O ATOM 398 CG2 THR A 28 12.953 -8.721 -6.387 1.00 0.00 C ATOM 0 H THR A 28 10.755 -9.194 -4.729 1.00 0.00 H new ATOM 0 HA THR A 28 12.848 -8.056 -2.995 1.00 0.00 H new ATOM 0 HB THR A 28 13.847 -9.604 -4.658 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.299 -8.010 -5.576 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.741 -9.053 -7.062 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.133 -9.439 -6.405 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.588 -7.745 -6.708 1.00 0.00 H new ATOM 406 N GLU A 29 12.735 -5.769 -4.326 1.00 0.00 N ATOM 407 CA GLU A 29 12.355 -4.418 -4.721 1.00 0.00 C ATOM 408 C GLU A 29 11.845 -4.395 -6.160 1.00 0.00 C ATOM 409 O GLU A 29 11.028 -3.550 -6.525 1.00 0.00 O ATOM 410 CB GLU A 29 13.545 -3.467 -4.575 1.00 0.00 C ATOM 411 CG GLU A 29 13.829 -3.064 -3.138 1.00 0.00 C ATOM 412 CD GLU A 29 15.267 -2.629 -2.928 1.00 0.00 C ATOM 413 OE1 GLU A 29 16.165 -3.493 -2.995 1.00 0.00 O ATOM 414 OE2 GLU A 29 15.492 -1.422 -2.697 1.00 0.00 O ATOM 0 H GLU A 29 13.685 -5.852 -3.963 1.00 0.00 H new ATOM 0 HA GLU A 29 11.551 -4.087 -4.063 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.433 -3.942 -4.992 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.357 -2.570 -5.165 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.162 -2.250 -2.854 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.607 -3.903 -2.478 1.00 0.00 H new ATOM 421 N GLU A 30 12.335 -5.328 -6.970 1.00 0.00 N ATOM 422 CA GLU A 30 11.930 -5.413 -8.368 1.00 0.00 C ATOM 423 C GLU A 30 10.445 -5.745 -8.486 1.00 0.00 C ATOM 424 O GLU A 30 9.692 -5.041 -9.159 1.00 0.00 O ATOM 425 CB GLU A 30 12.759 -6.471 -9.099 1.00 0.00 C ATOM 426 CG GLU A 30 13.166 -6.062 -10.505 1.00 0.00 C ATOM 427 CD GLU A 30 13.195 -7.233 -11.467 1.00 0.00 C ATOM 428 OE1 GLU A 30 13.789 -8.275 -11.118 1.00 0.00 O ATOM 429 OE2 GLU A 30 12.624 -7.107 -12.571 1.00 0.00 O ATOM 0 H GLU A 30 13.012 -6.035 -6.683 1.00 0.00 H new ATOM 0 HA GLU A 30 12.105 -4.441 -8.829 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.656 -6.683 -8.517 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.186 -7.397 -9.151 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.471 -5.309 -10.876 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.152 -5.598 -10.473 1.00 0.00 H new ATOM 436 N ILE A 31 10.031 -6.822 -7.825 1.00 0.00 N ATOM 437 CA ILE A 31 8.638 -7.248 -7.855 1.00 0.00 C ATOM 438 C ILE A 31 7.724 -6.176 -7.271 1.00 0.00 C ATOM 439 O ILE A 31 6.720 -5.801 -7.879 1.00 0.00 O ATOM 440 CB ILE A 31 8.433 -8.561 -7.076 1.00 0.00 C ATOM 441 CG1 ILE A 31 9.314 -9.667 -7.660 1.00 0.00 C ATOM 442 CG2 ILE A 31 6.968 -8.971 -7.106 1.00 0.00 C ATOM 443 CD1 ILE A 31 9.513 -10.838 -6.724 1.00 0.00 C ATOM 0 H ILE A 31 10.641 -7.415 -7.262 1.00 0.00 H new ATOM 0 HA ILE A 31 8.381 -7.413 -8.901 1.00 0.00 H new ATOM 0 HB ILE A 31 8.724 -8.401 -6.038 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.867 -10.025 -8.587 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.287 -9.248 -7.917 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.839 -9.900 -6.551 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.362 -8.189 -6.649 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.652 -9.118 -8.139 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.147 -11.583 -7.204 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.989 -10.493 -5.806 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.546 -11.283 -6.487 1.00 0.00 H new ATOM 455 N LEU A 32 8.077 -5.684 -6.089 1.00 0.00 N ATOM 456 CA LEU A 32 7.290 -4.653 -5.422 1.00 0.00 C ATOM 457 C LEU A 32 7.160 -3.413 -6.303 1.00 0.00 C ATOM 458 O LEU A 32 6.129 -2.742 -6.295 1.00 0.00 O ATOM 459 CB LEU A 32 7.932 -4.277 -4.086 1.00 0.00 C ATOM 460 CG LEU A 32 7.546 -5.147 -2.888 1.00 0.00 C ATOM 461 CD1 LEU A 32 8.600 -5.050 -1.796 1.00 0.00 C ATOM 462 CD2 LEU A 32 6.182 -4.742 -2.352 1.00 0.00 C ATOM 0 H LEU A 32 8.904 -5.983 -5.572 1.00 0.00 H new ATOM 0 HA LEU A 32 6.293 -5.054 -5.239 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.015 -4.314 -4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.671 -3.243 -3.858 1.00 0.00 H new ATOM 0 HG LEU A 32 7.490 -6.184 -3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.308 -5.675 -0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.560 -5.390 -2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.689 -4.015 -1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.924 -5.372 -1.500 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.210 -3.699 -2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.433 -4.865 -3.134 1.00 0.00 H new ATOM 474 N GLU A 33 8.211 -3.119 -7.061 1.00 0.00 N ATOM 475 CA GLU A 33 8.212 -1.961 -7.947 1.00 0.00 C ATOM 476 C GLU A 33 7.231 -2.156 -9.098 1.00 0.00 C ATOM 477 O GLU A 33 6.480 -1.247 -9.451 1.00 0.00 O ATOM 478 CB GLU A 33 9.619 -1.713 -8.497 1.00 0.00 C ATOM 479 CG GLU A 33 10.394 -0.655 -7.731 1.00 0.00 C ATOM 480 CD GLU A 33 11.892 -0.761 -7.946 1.00 0.00 C ATOM 481 OE1 GLU A 33 12.359 -0.403 -9.047 1.00 0.00 O ATOM 482 OE2 GLU A 33 12.596 -1.201 -7.013 1.00 0.00 O ATOM 0 H GLU A 33 9.072 -3.666 -7.080 1.00 0.00 H new ATOM 0 HA GLU A 33 7.898 -1.092 -7.368 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.179 -2.648 -8.475 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.544 -1.411 -9.542 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.055 0.334 -8.040 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.176 -0.749 -6.667 1.00 0.00 H new ATOM 489 N LYS A 34 7.243 -3.350 -9.683 1.00 0.00 N ATOM 490 CA LYS A 34 6.354 -3.667 -10.795 1.00 0.00 C ATOM 491 C LYS A 34 4.913 -3.813 -10.315 1.00 0.00 C ATOM 492 O LYS A 34 3.972 -3.608 -11.080 1.00 0.00 O ATOM 493 CB LYS A 34 6.807 -4.957 -11.483 1.00 0.00 C ATOM 494 CG LYS A 34 7.197 -4.766 -12.938 1.00 0.00 C ATOM 495 CD LYS A 34 8.568 -5.352 -13.230 1.00 0.00 C ATOM 496 CE LYS A 34 9.086 -4.910 -14.589 1.00 0.00 C ATOM 497 NZ LYS A 34 9.316 -3.440 -14.645 1.00 0.00 N ATOM 0 H LYS A 34 7.859 -4.114 -9.405 1.00 0.00 H new ATOM 0 HA LYS A 34 6.398 -2.845 -11.510 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.657 -5.370 -10.939 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.004 -5.691 -11.424 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.454 -5.239 -13.580 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.196 -3.703 -13.179 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.269 -5.044 -12.455 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.514 -6.440 -13.197 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.017 -5.432 -14.810 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.371 -5.195 -15.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.979 -3.221 -15.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.413 -2.954 -14.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.717 -3.117 -13.741 1.00 0.00 H new ATOM 511 N SER A 35 4.751 -4.166 -9.043 1.00 0.00 N ATOM 512 CA SER A 35 3.424 -4.340 -8.464 1.00 0.00 C ATOM 513 C SER A 35 2.657 -3.021 -8.455 1.00 0.00 C ATOM 514 O SER A 35 1.456 -2.987 -8.719 1.00 0.00 O ATOM 515 CB SER A 35 3.535 -4.888 -7.040 1.00 0.00 C ATOM 516 OG SER A 35 4.074 -6.199 -7.038 1.00 0.00 O ATOM 0 H SER A 35 5.520 -4.337 -8.396 1.00 0.00 H new ATOM 0 HA SER A 35 2.877 -5.054 -9.080 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.167 -4.231 -6.442 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.551 -4.896 -6.572 1.00 0.00 H new ATOM 0 HG SER A 35 5.006 -6.170 -7.339 1.00 0.00 H new ATOM 522 N PHE A 36 3.361 -1.936 -8.147 1.00 0.00 N ATOM 523 CA PHE A 36 2.748 -0.614 -8.103 1.00 0.00 C ATOM 524 C PHE A 36 2.925 0.112 -9.433 1.00 0.00 C ATOM 525 O PHE A 36 2.070 0.898 -9.841 1.00 0.00 O ATOM 526 CB PHE A 36 3.357 0.215 -6.971 1.00 0.00 C ATOM 527 CG PHE A 36 2.978 -0.271 -5.600 1.00 0.00 C ATOM 528 CD1 PHE A 36 1.709 -0.040 -5.095 1.00 0.00 C ATOM 529 CD2 PHE A 36 3.891 -0.960 -4.818 1.00 0.00 C ATOM 530 CE1 PHE A 36 1.358 -0.486 -3.835 1.00 0.00 C ATOM 531 CE2 PHE A 36 3.547 -1.409 -3.557 1.00 0.00 C ATOM 532 CZ PHE A 36 2.277 -1.172 -3.066 1.00 0.00 C ATOM 0 H PHE A 36 4.356 -1.947 -7.924 1.00 0.00 H new ATOM 0 HA PHE A 36 1.681 -0.741 -7.918 1.00 0.00 H new ATOM 0 HB2 PHE A 36 4.443 0.201 -7.065 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.041 1.252 -7.080 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.986 0.495 -5.693 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.884 -1.149 -5.199 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.366 -0.298 -3.452 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.269 -1.944 -2.957 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.004 -1.523 -2.082 1.00 0.00 H new ATOM 542 N SER A 37 4.041 -0.155 -10.102 1.00 0.00 N ATOM 543 CA SER A 37 4.334 0.477 -11.384 1.00 0.00 C ATOM 544 C SER A 37 3.185 0.267 -12.367 1.00 0.00 C ATOM 545 O SER A 37 2.968 1.080 -13.265 1.00 0.00 O ATOM 546 CB SER A 37 5.630 -0.086 -11.970 1.00 0.00 C ATOM 547 OG SER A 37 5.915 0.496 -13.230 1.00 0.00 O ATOM 0 H SER A 37 4.758 -0.805 -9.778 1.00 0.00 H new ATOM 0 HA SER A 37 4.455 1.547 -11.215 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.455 0.103 -11.284 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.545 -1.167 -12.076 1.00 0.00 H new ATOM 0 HG SER A 37 6.749 0.121 -13.583 1.00 0.00 H new ATOM 553 N GLU A 38 2.454 -0.829 -12.189 1.00 0.00 N ATOM 554 CA GLU A 38 1.329 -1.145 -13.060 1.00 0.00 C ATOM 555 C GLU A 38 0.259 -0.061 -12.984 1.00 0.00 C ATOM 556 O GLU A 38 -0.507 0.139 -13.927 1.00 0.00 O ATOM 557 CB GLU A 38 0.727 -2.500 -12.680 1.00 0.00 C ATOM 558 CG GLU A 38 -0.078 -2.467 -11.391 1.00 0.00 C ATOM 559 CD GLU A 38 -0.367 -3.853 -10.848 1.00 0.00 C ATOM 560 OE1 GLU A 38 0.541 -4.709 -10.894 1.00 0.00 O ATOM 561 OE2 GLU A 38 -1.501 -4.081 -10.378 1.00 0.00 O ATOM 0 H GLU A 38 2.621 -1.512 -11.450 1.00 0.00 H new ATOM 0 HA GLU A 38 1.698 -1.193 -14.084 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.085 -2.843 -13.491 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.530 -3.230 -12.579 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.467 -1.894 -10.641 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.019 -1.947 -11.568 1.00 0.00 H new ATOM 568 N PHE A 39 0.212 0.638 -11.854 1.00 0.00 N ATOM 569 CA PHE A 39 -0.765 1.701 -11.653 1.00 0.00 C ATOM 570 C PHE A 39 -0.274 3.012 -12.262 1.00 0.00 C ATOM 571 O PHE A 39 -0.988 3.659 -13.026 1.00 0.00 O ATOM 572 CB PHE A 39 -1.041 1.892 -10.160 1.00 0.00 C ATOM 573 CG PHE A 39 -1.752 0.729 -9.528 1.00 0.00 C ATOM 574 CD1 PHE A 39 -1.045 -0.380 -9.096 1.00 0.00 C ATOM 575 CD2 PHE A 39 -3.128 0.745 -9.369 1.00 0.00 C ATOM 576 CE1 PHE A 39 -1.695 -1.452 -8.515 1.00 0.00 C ATOM 577 CE2 PHE A 39 -3.785 -0.323 -8.788 1.00 0.00 C ATOM 578 CZ PHE A 39 -3.067 -1.424 -8.361 1.00 0.00 C ATOM 0 H PHE A 39 0.839 0.487 -11.064 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.689 1.411 -12.153 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.096 2.055 -9.642 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.640 2.792 -10.022 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.028 -0.408 -9.215 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.694 1.602 -9.703 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.131 -2.311 -8.182 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.858 -0.297 -8.668 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.578 -2.261 -7.908 1.00 0.00 H new ATOM 588 N GLY A 40 0.951 3.396 -11.916 1.00 0.00 N ATOM 589 CA GLY A 40 1.515 4.628 -12.437 1.00 0.00 C ATOM 590 C GLY A 40 3.017 4.705 -12.243 1.00 0.00 C ATOM 591 O GLY A 40 3.579 3.996 -11.407 1.00 0.00 O ATOM 0 H GLY A 40 1.562 2.877 -11.285 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.284 4.709 -13.499 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.044 5.477 -11.943 1.00 0.00 H new ATOM 595 N LYS A 41 3.669 5.565 -13.017 1.00 0.00 N ATOM 596 CA LYS A 41 5.114 5.733 -12.928 1.00 0.00 C ATOM 597 C LYS A 41 5.543 6.002 -11.488 1.00 0.00 C ATOM 598 O LYS A 41 5.287 7.077 -10.944 1.00 0.00 O ATOM 599 CB LYS A 41 5.573 6.881 -13.830 1.00 0.00 C ATOM 600 CG LYS A 41 6.271 6.416 -15.097 1.00 0.00 C ATOM 601 CD LYS A 41 7.659 5.872 -14.800 1.00 0.00 C ATOM 602 CE LYS A 41 8.720 6.954 -14.924 1.00 0.00 C ATOM 603 NZ LYS A 41 9.521 6.807 -16.170 1.00 0.00 N ATOM 0 H LYS A 41 3.219 6.158 -13.714 1.00 0.00 H new ATOM 0 HA LYS A 41 5.582 4.807 -13.262 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.708 7.486 -14.102 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.249 7.526 -13.268 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.672 5.644 -15.581 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.347 7.247 -15.798 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.680 5.455 -13.793 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.886 5.057 -15.488 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.242 7.934 -14.913 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.383 6.913 -14.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.233 7.564 -16.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.998 5.883 -16.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.893 6.872 -16.996 1.00 0.00 H new ATOM 617 N LEU A 42 6.197 5.020 -10.877 1.00 0.00 N ATOM 618 CA LEU A 42 6.662 5.152 -9.501 1.00 0.00 C ATOM 619 C LEU A 42 7.780 6.185 -9.401 1.00 0.00 C ATOM 620 O LEU A 42 8.274 6.679 -10.415 1.00 0.00 O ATOM 621 CB LEU A 42 7.153 3.801 -8.977 1.00 0.00 C ATOM 622 CG LEU A 42 6.130 2.665 -8.989 1.00 0.00 C ATOM 623 CD1 LEU A 42 6.708 1.420 -8.334 1.00 0.00 C ATOM 624 CD2 LEU A 42 4.849 3.093 -8.288 1.00 0.00 C ATOM 0 H LEU A 42 6.417 4.124 -11.313 1.00 0.00 H new ATOM 0 HA LEU A 42 5.824 5.490 -8.891 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.014 3.494 -9.571 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.504 3.936 -7.954 1.00 0.00 H new ATOM 0 HG LEU A 42 5.891 2.428 -10.026 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.966 0.622 -8.352 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.597 1.101 -8.879 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.976 1.643 -7.301 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.132 2.272 -8.306 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.071 3.358 -7.254 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.425 3.956 -8.801 1.00 0.00 H new ATOM 636 N GLU A 43 8.174 6.506 -8.173 1.00 0.00 N ATOM 637 CA GLU A 43 9.235 7.480 -7.941 1.00 0.00 C ATOM 638 C GLU A 43 10.476 6.805 -7.363 1.00 0.00 C ATOM 639 O GLU A 43 11.593 7.033 -7.829 1.00 0.00 O ATOM 640 CB GLU A 43 8.751 8.579 -6.993 1.00 0.00 C ATOM 641 CG GLU A 43 8.972 9.984 -7.527 1.00 0.00 C ATOM 642 CD GLU A 43 9.879 10.811 -6.637 1.00 0.00 C ATOM 643 OE1 GLU A 43 9.570 10.944 -5.435 1.00 0.00 O ATOM 644 OE2 GLU A 43 10.900 11.323 -7.143 1.00 0.00 O ATOM 0 H GLU A 43 7.775 6.106 -7.324 1.00 0.00 H new ATOM 0 HA GLU A 43 9.498 7.927 -8.900 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.688 8.437 -6.798 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.267 8.477 -6.038 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.405 9.925 -8.526 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.010 10.487 -7.626 1.00 0.00 H new ATOM 651 N ARG A 44 10.272 5.975 -6.345 1.00 0.00 N ATOM 652 CA ARG A 44 11.373 5.270 -5.702 1.00 0.00 C ATOM 653 C ARG A 44 10.862 4.372 -4.579 1.00 0.00 C ATOM 654 O ARG A 44 10.017 4.779 -3.782 1.00 0.00 O ATOM 655 CB ARG A 44 12.392 6.267 -5.148 1.00 0.00 C ATOM 656 CG ARG A 44 13.834 5.901 -5.460 1.00 0.00 C ATOM 657 CD ARG A 44 14.767 6.295 -4.325 1.00 0.00 C ATOM 658 NE ARG A 44 15.868 7.135 -4.788 1.00 0.00 N ATOM 659 CZ ARG A 44 16.933 6.665 -5.426 1.00 0.00 C ATOM 660 NH1 ARG A 44 17.040 5.367 -5.676 1.00 0.00 N ATOM 661 NH2 ARG A 44 17.894 7.493 -5.817 1.00 0.00 N ATOM 0 H ARG A 44 9.354 5.775 -5.948 1.00 0.00 H new ATOM 0 HA ARG A 44 11.858 4.645 -6.452 1.00 0.00 H new ATOM 0 HB2 ARG A 44 12.180 7.255 -5.557 1.00 0.00 H new ATOM 0 HB3 ARG A 44 12.269 6.336 -4.067 1.00 0.00 H new ATOM 0 HG2 ARG A 44 13.908 4.828 -5.637 1.00 0.00 H new ATOM 0 HG3 ARG A 44 14.146 6.398 -6.378 1.00 0.00 H new ATOM 0 HD2 ARG A 44 14.202 6.827 -3.560 1.00 0.00 H new ATOM 0 HD3 ARG A 44 15.169 5.396 -3.857 1.00 0.00 H new ATOM 0 HE ARG A 44 15.816 8.138 -4.611 1.00 0.00 H new ATOM 0 HH11 ARG A 44 16.303 4.728 -5.378 1.00 0.00 H new ATOM 0 HH12 ARG A 44 17.859 5.008 -6.166 1.00 0.00 H new ATOM 0 HH21 ARG A 44 17.815 8.492 -5.627 1.00 0.00 H new ATOM 0 HH22 ARG A 44 18.712 7.130 -6.307 1.00 0.00 H new ATOM 675 N VAL A 45 11.380 3.150 -4.522 1.00 0.00 N ATOM 676 CA VAL A 45 10.976 2.195 -3.497 1.00 0.00 C ATOM 677 C VAL A 45 12.170 1.752 -2.658 1.00 0.00 C ATOM 678 O VAL A 45 13.294 1.664 -3.154 1.00 0.00 O ATOM 679 CB VAL A 45 10.310 0.952 -4.118 1.00 0.00 C ATOM 680 CG1 VAL A 45 9.805 0.017 -3.030 1.00 0.00 C ATOM 681 CG2 VAL A 45 9.178 1.363 -5.047 1.00 0.00 C ATOM 0 H VAL A 45 12.081 2.797 -5.174 1.00 0.00 H new ATOM 0 HA VAL A 45 10.254 2.703 -2.858 1.00 0.00 H new ATOM 0 HB VAL A 45 11.056 0.417 -4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.338 -0.855 -3.488 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.641 -0.304 -2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.073 0.539 -2.413 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.719 0.473 -5.477 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.430 1.921 -4.484 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.573 1.990 -5.847 1.00 0.00 H new ATOM 691 N LYS A 46 11.919 1.474 -1.384 1.00 0.00 N ATOM 692 CA LYS A 46 12.972 1.038 -0.474 1.00 0.00 C ATOM 693 C LYS A 46 12.446 -0.003 0.509 1.00 0.00 C ATOM 694 O LYS A 46 11.349 0.138 1.051 1.00 0.00 O ATOM 695 CB LYS A 46 13.541 2.235 0.292 1.00 0.00 C ATOM 696 CG LYS A 46 15.014 2.094 0.632 1.00 0.00 C ATOM 697 CD LYS A 46 15.884 2.172 -0.611 1.00 0.00 C ATOM 698 CE LYS A 46 17.342 2.418 -0.257 1.00 0.00 C ATOM 699 NZ LYS A 46 17.668 3.870 -0.230 1.00 0.00 N ATOM 0 H LYS A 46 10.995 1.543 -0.957 1.00 0.00 H new ATOM 0 HA LYS A 46 13.765 0.584 -1.068 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.399 3.137 -0.303 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.975 2.368 1.214 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.304 2.880 1.330 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.182 1.142 1.136 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.797 1.244 -1.176 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.525 2.973 -1.258 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.558 1.979 0.717 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.982 1.915 -0.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 18.671 3.996 0.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 17.486 4.284 -1.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 17.076 4.346 0.480 1.00 0.00 H new ATOM 713 N LYS A 47 13.234 -1.048 0.735 1.00 0.00 N ATOM 714 CA LYS A 47 12.849 -2.113 1.654 1.00 0.00 C ATOM 715 C LYS A 47 13.315 -1.802 3.073 1.00 0.00 C ATOM 716 O LYS A 47 14.486 -1.982 3.407 1.00 0.00 O ATOM 717 CB LYS A 47 13.437 -3.449 1.195 1.00 0.00 C ATOM 718 CG LYS A 47 12.506 -4.629 1.410 1.00 0.00 C ATOM 719 CD LYS A 47 12.523 -5.577 0.222 1.00 0.00 C ATOM 720 CE LYS A 47 11.669 -6.808 0.479 1.00 0.00 C ATOM 721 NZ LYS A 47 12.482 -8.057 0.484 1.00 0.00 N ATOM 0 H LYS A 47 14.144 -1.181 0.294 1.00 0.00 H new ATOM 0 HA LYS A 47 11.761 -2.183 1.654 1.00 0.00 H new ATOM 0 HB2 LYS A 47 13.686 -3.382 0.136 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.369 -3.630 1.731 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.802 -5.167 2.310 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.491 -4.267 1.574 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.158 -5.058 -0.664 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.548 -5.882 0.013 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.159 -6.703 1.437 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.897 -6.881 -0.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.333 -8.572 -0.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.489 -7.815 0.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.192 -8.657 1.282 1.00 0.00 H new ATOM 735 N LEU A 48 12.391 -1.334 3.905 1.00 0.00 N ATOM 736 CA LEU A 48 12.706 -0.999 5.289 1.00 0.00 C ATOM 737 C LEU A 48 11.783 -1.738 6.252 1.00 0.00 C ATOM 738 O LEU A 48 10.590 -1.448 6.332 1.00 0.00 O ATOM 739 CB LEU A 48 12.588 0.511 5.509 1.00 0.00 C ATOM 740 CG LEU A 48 13.775 1.352 5.036 1.00 0.00 C ATOM 741 CD1 LEU A 48 15.050 0.924 5.747 1.00 0.00 C ATOM 742 CD2 LEU A 48 13.939 1.242 3.528 1.00 0.00 C ATOM 0 H LEU A 48 11.417 -1.178 3.645 1.00 0.00 H new ATOM 0 HA LEU A 48 13.732 -1.310 5.487 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.692 0.864 4.998 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.441 0.693 6.574 1.00 0.00 H new ATOM 0 HG LEU A 48 13.579 2.395 5.284 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.884 1.533 5.398 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.929 1.057 6.822 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.252 -0.125 5.531 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.788 1.847 3.209 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.112 0.201 3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.034 1.600 3.037 1.00 0.00 H new ATOM 754 N LYS A 49 12.344 -2.694 6.986 1.00 0.00 N ATOM 755 CA LYS A 49 11.574 -3.473 7.947 1.00 0.00 C ATOM 756 C LYS A 49 10.491 -4.285 7.245 1.00 0.00 C ATOM 757 O LYS A 49 10.536 -4.479 6.030 1.00 0.00 O ATOM 758 CB LYS A 49 10.940 -2.550 8.990 1.00 0.00 C ATOM 759 CG LYS A 49 11.893 -1.501 9.534 1.00 0.00 C ATOM 760 CD LYS A 49 13.110 -2.136 10.187 1.00 0.00 C ATOM 761 CE LYS A 49 13.473 -1.435 11.488 1.00 0.00 C ATOM 762 NZ LYS A 49 14.113 -2.365 12.458 1.00 0.00 N ATOM 0 H LYS A 49 13.331 -2.947 6.933 1.00 0.00 H new ATOM 0 HA LYS A 49 12.254 -4.163 8.447 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.079 -2.051 8.545 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.566 -3.153 9.817 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.214 -0.845 8.725 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.373 -0.878 10.261 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.911 -3.190 10.383 1.00 0.00 H new ATOM 0 HD3 LYS A 49 13.956 -2.094 9.501 1.00 0.00 H new ATOM 0 HE2 LYS A 49 14.150 -0.607 11.278 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.575 -1.007 11.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.345 -1.850 13.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.458 -3.142 12.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.984 -2.754 12.043 1.00 0.00 H new ATOM 776 N ASP A 50 9.518 -4.756 8.017 1.00 0.00 N ATOM 777 CA ASP A 50 8.420 -5.545 7.469 1.00 0.00 C ATOM 778 C ASP A 50 7.627 -4.737 6.448 1.00 0.00 C ATOM 779 O ASP A 50 6.863 -5.293 5.659 1.00 0.00 O ATOM 780 CB ASP A 50 7.495 -6.021 8.591 1.00 0.00 C ATOM 781 CG ASP A 50 8.060 -7.211 9.340 1.00 0.00 C ATOM 782 OD1 ASP A 50 8.215 -8.284 8.720 1.00 0.00 O ATOM 783 OD2 ASP A 50 8.345 -7.071 10.548 1.00 0.00 O ATOM 0 H ASP A 50 9.467 -4.605 9.025 1.00 0.00 H new ATOM 0 HA ASP A 50 8.846 -6.414 6.967 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.325 -5.202 9.290 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.525 -6.287 8.170 1.00 0.00 H new ATOM 788 N TYR A 51 7.813 -3.422 6.468 1.00 0.00 N ATOM 789 CA TYR A 51 7.112 -2.536 5.546 1.00 0.00 C ATOM 790 C TYR A 51 8.057 -2.016 4.466 1.00 0.00 C ATOM 791 O TYR A 51 9.215 -2.425 4.390 1.00 0.00 O ATOM 792 CB TYR A 51 6.493 -1.361 6.305 1.00 0.00 C ATOM 793 CG TYR A 51 7.468 -0.644 7.211 1.00 0.00 C ATOM 794 CD1 TYR A 51 8.339 0.314 6.708 1.00 0.00 C ATOM 795 CD2 TYR A 51 7.518 -0.924 8.572 1.00 0.00 C ATOM 796 CE1 TYR A 51 9.232 0.971 7.532 1.00 0.00 C ATOM 797 CE2 TYR A 51 8.407 -0.272 9.403 1.00 0.00 C ATOM 798 CZ TYR A 51 9.262 0.675 8.879 1.00 0.00 C ATOM 799 OH TYR A 51 10.149 1.328 9.704 1.00 0.00 O ATOM 0 H TYR A 51 8.444 -2.946 7.113 1.00 0.00 H new ATOM 0 HA TYR A 51 6.318 -3.108 5.066 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.087 -0.649 5.587 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.656 -1.725 6.901 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.318 0.549 5.654 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.850 -1.664 8.986 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.903 1.712 7.124 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.433 -0.502 10.458 1.00 0.00 H new ATOM 0 HH TYR A 51 10.041 1.004 10.623 1.00 0.00 H new ATOM 809 N ALA A 52 7.551 -1.112 3.633 1.00 0.00 N ATOM 810 CA ALA A 52 8.349 -0.533 2.559 1.00 0.00 C ATOM 811 C ALA A 52 7.978 0.927 2.324 1.00 0.00 C ATOM 812 O ALA A 52 6.891 1.368 2.696 1.00 0.00 O ATOM 813 CB ALA A 52 8.173 -1.337 1.279 1.00 0.00 C ATOM 0 H ALA A 52 6.593 -0.765 3.681 1.00 0.00 H new ATOM 0 HA ALA A 52 9.397 -0.570 2.858 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.774 -0.894 0.485 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.495 -2.365 1.448 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.123 -1.329 0.986 1.00 0.00 H new ATOM 819 N PHE A 53 8.888 1.672 1.706 1.00 0.00 N ATOM 820 CA PHE A 53 8.656 3.083 1.424 1.00 0.00 C ATOM 821 C PHE A 53 8.683 3.349 -0.079 1.00 0.00 C ATOM 822 O PHE A 53 9.742 3.328 -0.706 1.00 0.00 O ATOM 823 CB PHE A 53 9.709 3.945 2.123 1.00 0.00 C ATOM 824 CG PHE A 53 9.484 4.085 3.602 1.00 0.00 C ATOM 825 CD1 PHE A 53 8.247 4.472 4.094 1.00 0.00 C ATOM 826 CD2 PHE A 53 10.507 3.829 4.499 1.00 0.00 C ATOM 827 CE1 PHE A 53 8.036 4.601 5.453 1.00 0.00 C ATOM 828 CE2 PHE A 53 10.302 3.957 5.860 1.00 0.00 C ATOM 829 CZ PHE A 53 9.065 4.343 6.338 1.00 0.00 C ATOM 0 H PHE A 53 9.793 1.322 1.391 1.00 0.00 H new ATOM 0 HA PHE A 53 7.669 3.346 1.805 1.00 0.00 H new ATOM 0 HB2 PHE A 53 10.694 3.510 1.953 1.00 0.00 H new ATOM 0 HB3 PHE A 53 9.715 4.936 1.669 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.439 4.675 3.407 1.00 0.00 H new ATOM 0 HD2 PHE A 53 11.476 3.526 4.131 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.068 4.903 5.823 1.00 0.00 H new ATOM 0 HE2 PHE A 53 11.109 3.755 6.549 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.903 4.443 7.401 1.00 0.00 H new ATOM 839 N VAL A 54 7.509 3.598 -0.650 1.00 0.00 N ATOM 840 CA VAL A 54 7.395 3.869 -2.079 1.00 0.00 C ATOM 841 C VAL A 54 6.871 5.277 -2.332 1.00 0.00 C ATOM 842 O VAL A 54 5.965 5.747 -1.641 1.00 0.00 O ATOM 843 CB VAL A 54 6.466 2.854 -2.770 1.00 0.00 C ATOM 844 CG1 VAL A 54 6.477 3.060 -4.277 1.00 0.00 C ATOM 845 CG2 VAL A 54 6.871 1.432 -2.414 1.00 0.00 C ATOM 0 H VAL A 54 6.623 3.618 -0.145 1.00 0.00 H new ATOM 0 HA VAL A 54 8.397 3.778 -2.499 1.00 0.00 H new ATOM 0 HB VAL A 54 5.449 3.017 -2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.815 2.334 -4.748 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.134 4.068 -4.509 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.490 2.926 -4.655 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.203 0.728 -2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.895 1.253 -2.740 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.805 1.294 -1.335 1.00 0.00 H new ATOM 855 N HIS A 55 7.444 5.947 -3.326 1.00 0.00 N ATOM 856 CA HIS A 55 7.033 7.303 -3.671 1.00 0.00 C ATOM 857 C HIS A 55 6.345 7.332 -5.033 1.00 0.00 C ATOM 858 O HIS A 55 6.626 6.504 -5.901 1.00 0.00 O ATOM 859 CB HIS A 55 8.242 8.239 -3.680 1.00 0.00 C ATOM 860 CG HIS A 55 8.715 8.618 -2.309 1.00 0.00 C ATOM 861 ND1 HIS A 55 8.364 9.799 -1.692 1.00 0.00 N ATOM 862 CD2 HIS A 55 9.515 7.961 -1.436 1.00 0.00 C ATOM 863 CE1 HIS A 55 8.929 9.855 -0.499 1.00 0.00 C ATOM 864 NE2 HIS A 55 9.632 8.750 -0.319 1.00 0.00 N ATOM 0 H HIS A 55 8.194 5.573 -3.907 1.00 0.00 H new ATOM 0 HA HIS A 55 6.324 7.644 -2.916 1.00 0.00 H new ATOM 0 HB2 HIS A 55 9.059 7.759 -4.218 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.987 9.144 -4.231 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.975 6.996 -1.590 1.00 0.00 H new ATOM 0 HE1 HIS A 55 8.833 10.665 0.208 1.00 0.00 H new ATOM 0 HE2 HIS A 55 10.173 8.521 0.515 1.00 0.00 H new ATOM 872 N PHE A 56 5.440 8.289 -5.214 1.00 0.00 N ATOM 873 CA PHE A 56 4.710 8.425 -6.469 1.00 0.00 C ATOM 874 C PHE A 56 4.855 9.835 -7.033 1.00 0.00 C ATOM 875 O PHE A 56 5.110 10.786 -6.295 1.00 0.00 O ATOM 876 CB PHE A 56 3.230 8.096 -6.260 1.00 0.00 C ATOM 877 CG PHE A 56 2.943 6.623 -6.217 1.00 0.00 C ATOM 878 CD1 PHE A 56 3.146 5.897 -5.054 1.00 0.00 C ATOM 879 CD2 PHE A 56 2.471 5.963 -7.340 1.00 0.00 C ATOM 880 CE1 PHE A 56 2.883 4.541 -5.012 1.00 0.00 C ATOM 881 CE2 PHE A 56 2.205 4.607 -7.303 1.00 0.00 C ATOM 882 CZ PHE A 56 2.412 3.895 -6.138 1.00 0.00 C ATOM 0 H PHE A 56 5.195 8.982 -4.507 1.00 0.00 H new ATOM 0 HA PHE A 56 5.134 7.722 -7.186 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.893 8.551 -5.328 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.649 8.548 -7.064 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.514 6.397 -4.170 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.309 6.514 -8.255 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.046 3.987 -4.099 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.835 4.105 -8.185 1.00 0.00 H new ATOM 0 HZ PHE A 56 2.206 2.835 -6.108 1.00 0.00 H new ATOM 892 N GLU A 57 4.691 9.960 -8.347 1.00 0.00 N ATOM 893 CA GLU A 57 4.806 11.253 -9.011 1.00 0.00 C ATOM 894 C GLU A 57 3.868 12.276 -8.374 1.00 0.00 C ATOM 895 O GLU A 57 4.129 13.478 -8.409 1.00 0.00 O ATOM 896 CB GLU A 57 4.493 11.116 -10.501 1.00 0.00 C ATOM 897 CG GLU A 57 5.701 11.330 -11.399 1.00 0.00 C ATOM 898 CD GLU A 57 6.006 12.799 -11.624 1.00 0.00 C ATOM 899 OE1 GLU A 57 5.066 13.619 -11.547 1.00 0.00 O ATOM 900 OE2 GLU A 57 7.183 13.129 -11.876 1.00 0.00 O ATOM 0 H GLU A 57 4.478 9.182 -8.972 1.00 0.00 H new ATOM 0 HA GLU A 57 5.832 11.603 -8.894 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.083 10.123 -10.688 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.720 11.836 -10.769 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.570 10.846 -10.954 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.525 10.848 -12.360 1.00 0.00 H new ATOM 907 N ASP A 58 2.776 11.788 -7.796 1.00 0.00 N ATOM 908 CA ASP A 58 1.800 12.658 -7.152 1.00 0.00 C ATOM 909 C ASP A 58 0.972 11.884 -6.131 1.00 0.00 C ATOM 910 O ASP A 58 1.282 10.737 -5.807 1.00 0.00 O ATOM 911 CB ASP A 58 0.880 13.290 -8.198 1.00 0.00 C ATOM 912 CG ASP A 58 0.820 14.800 -8.080 1.00 0.00 C ATOM 913 OD1 ASP A 58 0.725 15.303 -6.941 1.00 0.00 O ATOM 914 OD2 ASP A 58 0.870 15.479 -9.127 1.00 0.00 O ATOM 0 H ASP A 58 2.545 10.795 -7.760 1.00 0.00 H new ATOM 0 HA ASP A 58 2.342 13.447 -6.631 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.229 13.020 -9.195 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.124 12.880 -8.090 1.00 0.00 H new ATOM 919 N ARG A 59 -0.081 12.519 -5.627 1.00 0.00 N ATOM 920 CA ARG A 59 -0.951 11.890 -4.640 1.00 0.00 C ATOM 921 C ARG A 59 -1.978 10.988 -5.317 1.00 0.00 C ATOM 922 O ARG A 59 -2.383 9.966 -4.764 1.00 0.00 O ATOM 923 CB ARG A 59 -1.665 12.956 -3.805 1.00 0.00 C ATOM 924 CG ARG A 59 -2.735 12.393 -2.885 1.00 0.00 C ATOM 925 CD ARG A 59 -4.131 12.768 -3.358 1.00 0.00 C ATOM 926 NE ARG A 59 -5.159 12.371 -2.400 1.00 0.00 N ATOM 927 CZ ARG A 59 -6.450 12.289 -2.700 1.00 0.00 C ATOM 928 NH1 ARG A 59 -6.869 12.575 -3.925 1.00 0.00 N ATOM 929 NH2 ARG A 59 -7.326 11.920 -1.774 1.00 0.00 N ATOM 0 H ARG A 59 -0.352 13.468 -5.885 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.332 11.278 -3.984 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.928 13.491 -3.206 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.121 13.685 -4.475 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.644 11.308 -2.841 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.580 12.767 -1.873 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.182 13.845 -3.519 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.328 12.293 -4.319 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.870 12.144 -1.449 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.199 12.859 -4.640 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.861 12.511 -4.153 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.008 11.699 -0.830 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.317 11.857 -2.006 1.00 0.00 H new ATOM 943 N GLY A 60 -2.396 11.373 -6.519 1.00 0.00 N ATOM 944 CA GLY A 60 -3.372 10.589 -7.252 1.00 0.00 C ATOM 945 C GLY A 60 -2.877 9.189 -7.562 1.00 0.00 C ATOM 946 O GLY A 60 -3.564 8.206 -7.290 1.00 0.00 O ATOM 0 H GLY A 60 -2.076 12.215 -6.998 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.292 10.525 -6.671 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.617 11.099 -8.184 1.00 0.00 H new ATOM 950 N ALA A 61 -1.681 9.101 -8.136 1.00 0.00 N ATOM 951 CA ALA A 61 -1.095 7.812 -8.484 1.00 0.00 C ATOM 952 C ALA A 61 -0.991 6.908 -7.260 1.00 0.00 C ATOM 953 O ALA A 61 -0.977 5.684 -7.381 1.00 0.00 O ATOM 954 CB ALA A 61 0.276 8.010 -9.114 1.00 0.00 C ATOM 0 H ALA A 61 -1.100 9.906 -8.370 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.749 7.326 -9.208 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.703 7.040 -9.369 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.178 8.612 -10.017 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.931 8.520 -8.407 1.00 0.00 H new ATOM 960 N ALA A 62 -0.920 7.520 -6.083 1.00 0.00 N ATOM 961 CA ALA A 62 -0.819 6.770 -4.836 1.00 0.00 C ATOM 962 C ALA A 62 -2.194 6.330 -4.348 1.00 0.00 C ATOM 963 O ALA A 62 -2.385 5.179 -3.953 1.00 0.00 O ATOM 964 CB ALA A 62 -0.121 7.605 -3.773 1.00 0.00 C ATOM 0 H ALA A 62 -0.931 8.533 -5.966 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.226 5.875 -5.026 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.053 7.033 -2.848 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.881 7.864 -4.114 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.691 8.517 -3.594 1.00 0.00 H new ATOM 970 N VAL A 63 -3.151 7.252 -4.377 1.00 0.00 N ATOM 971 CA VAL A 63 -4.510 6.959 -3.936 1.00 0.00 C ATOM 972 C VAL A 63 -5.154 5.895 -4.817 1.00 0.00 C ATOM 973 O VAL A 63 -5.626 4.869 -4.326 1.00 0.00 O ATOM 974 CB VAL A 63 -5.389 8.224 -3.951 1.00 0.00 C ATOM 975 CG1 VAL A 63 -6.810 7.891 -3.519 1.00 0.00 C ATOM 976 CG2 VAL A 63 -4.790 9.299 -3.059 1.00 0.00 C ATOM 0 H VAL A 63 -3.010 8.209 -4.701 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.440 6.587 -2.914 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.425 8.609 -4.970 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.417 8.796 -3.535 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.235 7.156 -4.203 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.797 7.481 -2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.424 10.185 -3.082 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.722 8.927 -2.037 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.794 9.556 -3.418 1.00 0.00 H new ATOM 986 N LYS A 64 -5.171 6.145 -6.122 1.00 0.00 N ATOM 987 CA LYS A 64 -5.757 5.207 -7.074 1.00 0.00 C ATOM 988 C LYS A 64 -5.165 3.813 -6.898 1.00 0.00 C ATOM 989 O LYS A 64 -5.824 2.810 -7.170 1.00 0.00 O ATOM 990 CB LYS A 64 -5.527 5.694 -8.506 1.00 0.00 C ATOM 991 CG LYS A 64 -6.179 4.815 -9.559 1.00 0.00 C ATOM 992 CD LYS A 64 -5.145 4.154 -10.454 1.00 0.00 C ATOM 993 CE LYS A 64 -5.685 2.878 -11.083 1.00 0.00 C ATOM 994 NZ LYS A 64 -4.962 2.528 -12.336 1.00 0.00 N ATOM 0 H LYS A 64 -4.786 6.989 -6.545 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.829 5.154 -6.882 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.913 6.709 -8.602 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.455 5.741 -8.697 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.782 4.049 -9.072 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.856 5.415 -10.166 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.844 4.848 -11.239 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.252 3.924 -9.872 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.597 2.057 -10.371 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.746 3.000 -11.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.360 1.653 -12.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.067 3.300 -13.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.953 2.386 -12.127 1.00 0.00 H new ATOM 1008 N ALA A 65 -3.919 3.757 -6.439 1.00 0.00 N ATOM 1009 CA ALA A 65 -3.241 2.485 -6.222 1.00 0.00 C ATOM 1010 C ALA A 65 -3.663 1.855 -4.899 1.00 0.00 C ATOM 1011 O ALA A 65 -4.180 0.738 -4.870 1.00 0.00 O ATOM 1012 CB ALA A 65 -1.732 2.679 -6.258 1.00 0.00 C ATOM 0 H ALA A 65 -3.359 4.578 -6.210 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.529 1.807 -7.025 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.238 1.721 -6.095 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.439 3.077 -7.230 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.436 3.378 -5.476 1.00 0.00 H new ATOM 1018 N MET A 66 -3.441 2.578 -3.808 1.00 0.00 N ATOM 1019 CA MET A 66 -3.801 2.089 -2.481 1.00 0.00 C ATOM 1020 C MET A 66 -5.278 1.712 -2.422 1.00 0.00 C ATOM 1021 O MET A 66 -5.681 0.869 -1.620 1.00 0.00 O ATOM 1022 CB MET A 66 -3.489 3.148 -1.421 1.00 0.00 C ATOM 1023 CG MET A 66 -4.029 2.805 -0.043 1.00 0.00 C ATOM 1024 SD MET A 66 -3.530 3.996 1.215 1.00 0.00 S ATOM 1025 CE MET A 66 -4.253 5.500 0.564 1.00 0.00 C ATOM 0 H MET A 66 -3.014 3.504 -3.815 1.00 0.00 H new ATOM 0 HA MET A 66 -3.209 1.197 -2.277 1.00 0.00 H new ATOM 0 HB2 MET A 66 -2.409 3.279 -1.357 1.00 0.00 H new ATOM 0 HB3 MET A 66 -3.907 4.103 -1.739 1.00 0.00 H new ATOM 0 HG2 MET A 66 -5.117 2.761 -0.084 1.00 0.00 H new ATOM 0 HG3 MET A 66 -3.680 1.813 0.243 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.460 6.178 0.248 1.00 0.00 H new ATOM 0 HE2 MET A 66 -4.886 5.259 -0.290 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.853 5.979 1.337 1.00 0.00 H new ATOM 1035 N ASP A 67 -6.079 2.343 -3.274 1.00 0.00 N ATOM 1036 CA ASP A 67 -7.511 2.072 -3.320 1.00 0.00 C ATOM 1037 C ASP A 67 -7.777 0.594 -3.585 1.00 0.00 C ATOM 1038 O ASP A 67 -8.604 -0.027 -2.918 1.00 0.00 O ATOM 1039 CB ASP A 67 -8.178 2.926 -4.399 1.00 0.00 C ATOM 1040 CG ASP A 67 -8.616 4.281 -3.878 1.00 0.00 C ATOM 1041 OD1 ASP A 67 -8.367 4.567 -2.689 1.00 0.00 O ATOM 1042 OD2 ASP A 67 -9.208 5.054 -4.659 1.00 0.00 O ATOM 0 H ASP A 67 -5.761 3.045 -3.942 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.936 2.329 -2.350 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.484 3.066 -5.228 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.044 2.395 -4.794 1.00 0.00 H new ATOM 1047 N GLU A 68 -7.072 0.038 -4.565 1.00 0.00 N ATOM 1048 CA GLU A 68 -7.235 -1.368 -4.919 1.00 0.00 C ATOM 1049 C GLU A 68 -6.237 -2.239 -4.161 1.00 0.00 C ATOM 1050 O GLU A 68 -6.589 -3.302 -3.649 1.00 0.00 O ATOM 1051 CB GLU A 68 -7.055 -1.561 -6.426 1.00 0.00 C ATOM 1052 CG GLU A 68 -7.857 -0.581 -7.266 1.00 0.00 C ATOM 1053 CD GLU A 68 -8.591 -1.256 -8.408 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -7.938 -1.593 -9.417 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -9.820 -1.448 -8.292 1.00 0.00 O ATOM 0 H GLU A 68 -6.384 0.538 -5.127 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.243 -1.673 -4.639 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.998 -1.458 -6.673 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.347 -2.577 -6.691 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.577 -0.067 -6.629 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.188 0.179 -7.668 1.00 0.00 H new ATOM 1062 N MET A 69 -4.991 -1.781 -4.095 1.00 0.00 N ATOM 1063 CA MET A 69 -3.943 -2.518 -3.399 1.00 0.00 C ATOM 1064 C MET A 69 -4.379 -2.877 -1.982 1.00 0.00 C ATOM 1065 O MET A 69 -4.116 -3.979 -1.503 1.00 0.00 O ATOM 1066 CB MET A 69 -2.654 -1.694 -3.355 1.00 0.00 C ATOM 1067 CG MET A 69 -2.033 -1.466 -4.723 1.00 0.00 C ATOM 1068 SD MET A 69 -1.459 -2.993 -5.490 1.00 0.00 S ATOM 1069 CE MET A 69 -0.144 -3.461 -4.368 1.00 0.00 C ATOM 0 H MET A 69 -4.683 -0.904 -4.515 1.00 0.00 H new ATOM 0 HA MET A 69 -3.758 -3.441 -3.948 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.865 -0.729 -2.895 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.930 -2.200 -2.716 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.765 -0.990 -5.375 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.195 -0.775 -4.627 1.00 0.00 H new ATOM 0 HE1 MET A 69 0.818 -3.355 -4.870 1.00 0.00 H new ATOM 0 HE2 MET A 69 -0.168 -2.816 -3.490 1.00 0.00 H new ATOM 0 HE3 MET A 69 -0.280 -4.498 -4.060 1.00 0.00 H new ATOM 1079 N ASN A 70 -5.046 -1.939 -1.318 1.00 0.00 N ATOM 1080 CA ASN A 70 -5.519 -2.157 0.045 1.00 0.00 C ATOM 1081 C ASN A 70 -6.322 -3.451 0.142 1.00 0.00 C ATOM 1082 O ASN A 70 -7.481 -3.506 -0.269 1.00 0.00 O ATOM 1083 CB ASN A 70 -6.374 -0.976 0.505 1.00 0.00 C ATOM 1084 CG ASN A 70 -7.229 -1.316 1.711 1.00 0.00 C ATOM 1085 OD1 ASN A 70 -6.722 -1.466 2.824 1.00 0.00 O ATOM 1086 ND2 ASN A 70 -8.533 -1.442 1.495 1.00 0.00 N ATOM 0 H ASN A 70 -5.271 -1.021 -1.701 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.649 -2.241 0.696 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.725 -0.134 0.749 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.017 -0.656 -0.314 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.158 -1.672 2.268 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.910 -1.309 0.556 1.00 0.00 H new ATOM 1093 N GLY A 71 -5.699 -4.489 0.688 1.00 0.00 N ATOM 1094 CA GLY A 71 -6.370 -5.769 0.830 1.00 0.00 C ATOM 1095 C GLY A 71 -6.037 -6.726 -0.297 1.00 0.00 C ATOM 1096 O GLY A 71 -6.886 -7.506 -0.730 1.00 0.00 O ATOM 0 H GLY A 71 -4.740 -4.468 1.035 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.088 -6.220 1.781 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.448 -5.609 0.860 1.00 0.00 H new ATOM 1100 N LYS A 72 -4.799 -6.667 -0.775 1.00 0.00 N ATOM 1101 CA LYS A 72 -4.354 -7.535 -1.859 1.00 0.00 C ATOM 1102 C LYS A 72 -3.525 -8.697 -1.320 1.00 0.00 C ATOM 1103 O LYS A 72 -3.208 -8.746 -0.132 1.00 0.00 O ATOM 1104 CB LYS A 72 -3.535 -6.737 -2.875 1.00 0.00 C ATOM 1105 CG LYS A 72 -4.338 -6.284 -4.083 1.00 0.00 C ATOM 1106 CD LYS A 72 -4.421 -7.375 -5.138 1.00 0.00 C ATOM 1107 CE LYS A 72 -3.217 -7.345 -6.066 1.00 0.00 C ATOM 1108 NZ LYS A 72 -3.540 -7.897 -7.411 1.00 0.00 N ATOM 0 H LYS A 72 -4.085 -6.026 -0.428 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.237 -7.941 -2.353 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.112 -5.862 -2.381 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.698 -7.347 -3.214 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.343 -6.003 -3.769 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.879 -5.394 -4.514 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.483 -8.349 -4.652 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.334 -7.251 -5.720 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.864 -6.319 -6.170 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.403 -7.919 -5.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.694 -7.859 -8.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.853 -8.884 -7.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.299 -7.334 -7.844 1.00 0.00 H new ATOM 1122 N GLU A 73 -3.176 -9.627 -2.202 1.00 0.00 N ATOM 1123 CA GLU A 73 -2.382 -10.787 -1.815 1.00 0.00 C ATOM 1124 C GLU A 73 -1.098 -10.867 -2.635 1.00 0.00 C ATOM 1125 O GLU A 73 -1.097 -11.370 -3.758 1.00 0.00 O ATOM 1126 CB GLU A 73 -3.195 -12.072 -1.993 1.00 0.00 C ATOM 1127 CG GLU A 73 -2.376 -13.340 -1.816 1.00 0.00 C ATOM 1128 CD GLU A 73 -3.203 -14.598 -1.994 1.00 0.00 C ATOM 1129 OE1 GLU A 73 -4.107 -14.835 -1.166 1.00 0.00 O ATOM 1130 OE2 GLU A 73 -2.946 -15.345 -2.961 1.00 0.00 O ATOM 0 H GLU A 73 -3.430 -9.600 -3.189 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.114 -10.677 -0.764 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.015 -12.076 -1.275 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.642 -12.074 -2.987 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.558 -13.343 -2.536 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.927 -13.342 -0.823 1.00 0.00 H new ATOM 1137 N ILE A 74 -0.007 -10.367 -2.064 1.00 0.00 N ATOM 1138 CA ILE A 74 1.284 -10.382 -2.741 1.00 0.00 C ATOM 1139 C ILE A 74 2.114 -11.589 -2.317 1.00 0.00 C ATOM 1140 O ILE A 74 2.436 -11.750 -1.141 1.00 0.00 O ATOM 1141 CB ILE A 74 2.085 -9.097 -2.455 1.00 0.00 C ATOM 1142 CG1 ILE A 74 1.290 -7.866 -2.894 1.00 0.00 C ATOM 1143 CG2 ILE A 74 3.431 -9.144 -3.162 1.00 0.00 C ATOM 1144 CD1 ILE A 74 1.846 -6.565 -2.359 1.00 0.00 C ATOM 0 H ILE A 74 0.009 -9.947 -1.135 1.00 0.00 H new ATOM 0 HA ILE A 74 1.078 -10.443 -3.810 1.00 0.00 H new ATOM 0 HB ILE A 74 2.262 -9.028 -1.382 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.273 -7.824 -3.983 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.257 -7.974 -2.563 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.985 -8.230 -2.950 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.999 -10.003 -2.806 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.274 -9.233 -4.237 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.233 -5.735 -2.710 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.837 -6.586 -1.269 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.869 -6.434 -2.711 1.00 0.00 H new ATOM 1156 N GLU A 75 2.456 -12.434 -3.285 1.00 0.00 N ATOM 1157 CA GLU A 75 3.249 -13.627 -3.012 1.00 0.00 C ATOM 1158 C GLU A 75 2.578 -14.496 -1.952 1.00 0.00 C ATOM 1159 O GLU A 75 3.248 -15.140 -1.147 1.00 0.00 O ATOM 1160 CB GLU A 75 4.655 -13.237 -2.551 1.00 0.00 C ATOM 1161 CG GLU A 75 5.754 -14.082 -3.171 1.00 0.00 C ATOM 1162 CD GLU A 75 5.477 -15.569 -3.064 1.00 0.00 C ATOM 1163 OE1 GLU A 75 5.533 -16.104 -1.936 1.00 0.00 O ATOM 1164 OE2 GLU A 75 5.205 -16.199 -4.107 1.00 0.00 O ATOM 0 H GLU A 75 2.197 -12.315 -4.264 1.00 0.00 H new ATOM 0 HA GLU A 75 3.323 -14.202 -3.935 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.831 -12.190 -2.796 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.710 -13.324 -1.466 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.866 -13.812 -4.221 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.701 -13.856 -2.681 1.00 0.00 H new ATOM 1171 N GLY A 76 1.248 -14.506 -1.959 1.00 0.00 N ATOM 1172 CA GLY A 76 0.507 -15.298 -0.995 1.00 0.00 C ATOM 1173 C GLY A 76 0.688 -14.800 0.425 1.00 0.00 C ATOM 1174 O GLY A 76 0.471 -15.541 1.382 1.00 0.00 O ATOM 0 H GLY A 76 0.671 -13.980 -2.615 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.552 -15.279 -1.251 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.831 -16.337 -1.057 1.00 0.00 H new ATOM 1178 N GLU A 77 1.088 -13.539 0.562 1.00 0.00 N ATOM 1179 CA GLU A 77 1.300 -12.944 1.876 1.00 0.00 C ATOM 1180 C GLU A 77 0.389 -11.738 2.081 1.00 0.00 C ATOM 1181 O GLU A 77 0.349 -10.829 1.253 1.00 0.00 O ATOM 1182 CB GLU A 77 2.763 -12.525 2.041 1.00 0.00 C ATOM 1183 CG GLU A 77 3.664 -13.642 2.542 1.00 0.00 C ATOM 1184 CD GLU A 77 3.486 -13.913 4.023 1.00 0.00 C ATOM 1185 OE1 GLU A 77 3.154 -12.966 4.765 1.00 0.00 O ATOM 1186 OE2 GLU A 77 3.681 -15.075 4.440 1.00 0.00 O ATOM 0 H GLU A 77 1.271 -12.911 -0.220 1.00 0.00 H new ATOM 0 HA GLU A 77 1.057 -13.694 2.629 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.140 -12.168 1.083 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.816 -11.687 2.737 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.453 -14.553 1.982 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.704 -13.381 2.346 1.00 0.00 H new ATOM 1193 N GLU A 78 -0.343 -11.738 3.191 1.00 0.00 N ATOM 1194 CA GLU A 78 -1.257 -10.646 3.503 1.00 0.00 C ATOM 1195 C GLU A 78 -0.509 -9.318 3.583 1.00 0.00 C ATOM 1196 O GLU A 78 0.324 -9.115 4.467 1.00 0.00 O ATOM 1197 CB GLU A 78 -1.979 -10.917 4.825 1.00 0.00 C ATOM 1198 CG GLU A 78 -3.352 -11.542 4.651 1.00 0.00 C ATOM 1199 CD GLU A 78 -4.457 -10.707 5.268 1.00 0.00 C ATOM 1200 OE1 GLU A 78 -4.633 -9.547 4.840 1.00 0.00 O ATOM 1201 OE2 GLU A 78 -5.144 -11.213 6.180 1.00 0.00 O ATOM 0 H GLU A 78 -0.321 -12.482 3.889 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.993 -10.582 2.702 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.364 -11.577 5.437 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.082 -9.980 5.372 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.554 -11.676 3.588 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.355 -12.534 5.104 1.00 0.00 H new ATOM 1208 N ILE A 79 -0.811 -8.419 2.652 1.00 0.00 N ATOM 1209 CA ILE A 79 -0.168 -7.111 2.617 1.00 0.00 C ATOM 1210 C ILE A 79 -1.105 -6.024 3.132 1.00 0.00 C ATOM 1211 O ILE A 79 -2.263 -5.944 2.723 1.00 0.00 O ATOM 1212 CB ILE A 79 0.289 -6.747 1.192 1.00 0.00 C ATOM 1213 CG1 ILE A 79 -0.906 -6.740 0.236 1.00 0.00 C ATOM 1214 CG2 ILE A 79 1.353 -7.722 0.711 1.00 0.00 C ATOM 1215 CD1 ILE A 79 -1.197 -5.379 -0.358 1.00 0.00 C ATOM 0 H ILE A 79 -1.496 -8.572 1.912 1.00 0.00 H new ATOM 0 HA ILE A 79 0.706 -7.171 3.266 1.00 0.00 H new ATOM 0 HB ILE A 79 0.722 -5.747 1.210 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.719 -7.448 -0.572 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.789 -7.091 0.769 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.665 -7.451 -0.298 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.212 -7.682 1.380 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.945 -8.733 0.705 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.056 -5.449 -1.025 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.416 -4.672 0.442 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.329 -5.034 -0.919 1.00 0.00 H new ATOM 1227 N GLU A 80 -0.595 -5.187 4.030 1.00 0.00 N ATOM 1228 CA GLU A 80 -1.388 -4.103 4.600 1.00 0.00 C ATOM 1229 C GLU A 80 -0.949 -2.755 4.036 1.00 0.00 C ATOM 1230 O GLU A 80 0.200 -2.586 3.626 1.00 0.00 O ATOM 1231 CB GLU A 80 -1.260 -4.096 6.124 1.00 0.00 C ATOM 1232 CG GLU A 80 -2.532 -4.518 6.843 1.00 0.00 C ATOM 1233 CD GLU A 80 -2.392 -5.859 7.536 1.00 0.00 C ATOM 1234 OE1 GLU A 80 -2.564 -6.896 6.863 1.00 0.00 O ATOM 1235 OE2 GLU A 80 -2.112 -5.872 8.754 1.00 0.00 O ATOM 0 H GLU A 80 0.362 -5.238 4.378 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.431 -4.268 4.331 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.449 -4.764 6.415 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.982 -3.095 6.452 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.798 -3.759 7.579 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.351 -4.568 6.126 1.00 0.00 H new ATOM 1242 N ILE A 81 -1.872 -1.799 4.019 1.00 0.00 N ATOM 1243 CA ILE A 81 -1.581 -0.466 3.507 1.00 0.00 C ATOM 1244 C ILE A 81 -2.270 0.607 4.343 1.00 0.00 C ATOM 1245 O ILE A 81 -3.437 0.468 4.713 1.00 0.00 O ATOM 1246 CB ILE A 81 -2.023 -0.319 2.038 1.00 0.00 C ATOM 1247 CG1 ILE A 81 -1.502 -1.492 1.207 1.00 0.00 C ATOM 1248 CG2 ILE A 81 -1.529 1.002 1.468 1.00 0.00 C ATOM 1249 CD1 ILE A 81 -1.966 -1.465 -0.233 1.00 0.00 C ATOM 0 H ILE A 81 -2.827 -1.923 4.354 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.501 -0.333 3.569 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.112 -0.326 1.998 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.412 -1.487 1.229 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.826 -2.425 1.667 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.848 1.092 0.430 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.943 1.826 2.048 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.441 1.035 1.517 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.559 -2.326 -0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -3.055 -1.501 -0.265 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.619 -0.548 -0.710 1.00 0.00 H new ATOM 1261 N VAL A 82 -1.541 1.679 4.638 1.00 0.00 N ATOM 1262 CA VAL A 82 -2.083 2.778 5.428 1.00 0.00 C ATOM 1263 C VAL A 82 -1.440 4.104 5.038 1.00 0.00 C ATOM 1264 O VAL A 82 -0.240 4.169 4.765 1.00 0.00 O ATOM 1265 CB VAL A 82 -1.873 2.542 6.935 1.00 0.00 C ATOM 1266 CG1 VAL A 82 -2.554 1.254 7.373 1.00 0.00 C ATOM 1267 CG2 VAL A 82 -0.389 2.510 7.268 1.00 0.00 C ATOM 0 H VAL A 82 -0.574 1.809 4.342 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.152 2.821 5.220 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.326 3.369 7.481 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.395 1.103 8.441 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.623 1.321 7.171 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.132 0.414 6.821 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.260 2.342 8.337 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.091 1.704 6.713 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.066 3.461 6.992 1.00 0.00 H new ATOM 1277 N LEU A 83 -2.244 5.161 5.014 1.00 0.00 N ATOM 1278 CA LEU A 83 -1.753 6.488 4.658 1.00 0.00 C ATOM 1279 C LEU A 83 -0.677 6.950 5.635 1.00 0.00 C ATOM 1280 O LEU A 83 -0.935 7.113 6.827 1.00 0.00 O ATOM 1281 CB LEU A 83 -2.908 7.492 4.640 1.00 0.00 C ATOM 1282 CG LEU A 83 -3.798 7.467 3.397 1.00 0.00 C ATOM 1283 CD1 LEU A 83 -5.145 8.108 3.694 1.00 0.00 C ATOM 1284 CD2 LEU A 83 -3.113 8.175 2.237 1.00 0.00 C ATOM 0 H LEU A 83 -3.239 5.125 5.237 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.313 6.432 3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.534 7.312 5.514 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.494 8.495 4.746 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.967 6.428 3.114 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.766 8.082 2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.640 7.559 4.495 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.996 9.143 4.002 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.761 8.148 1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.915 9.212 2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.172 7.673 2.009 1.00 0.00 H new ATOM 1296 N ALA A 84 0.530 7.164 5.121 1.00 0.00 N ATOM 1297 CA ALA A 84 1.644 7.612 5.946 1.00 0.00 C ATOM 1298 C ALA A 84 1.588 9.120 6.173 1.00 0.00 C ATOM 1299 O ALA A 84 1.450 9.895 5.227 1.00 0.00 O ATOM 1300 CB ALA A 84 2.967 7.222 5.305 1.00 0.00 C ATOM 0 H ALA A 84 0.761 7.034 4.136 1.00 0.00 H new ATOM 0 HA ALA A 84 1.565 7.121 6.916 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.790 7.563 5.933 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.015 6.138 5.201 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.045 7.685 4.321 1.00 0.00 H new