USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=9 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= -0.0094 K(o=-0.0094,f=-0.94) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0454 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.275 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 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+ 137:sc= 0.706 (180deg=0.024) 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= -0.016 X(o=-0.016,f=-0.014) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -169:sc= 0 (180deg=-0.0577) USER MOD Single : A 69 MET CE :methyl 168:sc= -0.842 (180deg=-0.982) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 210 N VAL A 17 3.220 9.484 0.367 1.00 0.00 N ATOM 211 CA VAL A 17 3.934 8.286 0.791 1.00 0.00 C ATOM 212 C VAL A 17 2.980 7.259 1.389 1.00 0.00 C ATOM 213 O VAL A 17 2.404 7.478 2.456 1.00 0.00 O ATOM 214 CB VAL A 17 5.026 8.620 1.825 1.00 0.00 C ATOM 215 CG1 VAL A 17 5.884 7.397 2.111 1.00 0.00 C ATOM 216 CG2 VAL A 17 5.883 9.780 1.339 1.00 0.00 C ATOM 0 HA VAL A 17 4.403 7.866 -0.099 1.00 0.00 H new ATOM 0 HB VAL A 17 4.542 8.920 2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.650 7.653 2.844 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.257 6.597 2.505 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.361 7.063 1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.649 10.002 2.082 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.359 9.511 0.396 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.255 10.659 1.191 1.00 0.00 H new ATOM 226 N LEU A 18 2.817 6.137 0.697 1.00 0.00 N ATOM 227 CA LEU A 18 1.932 5.074 1.160 1.00 0.00 C ATOM 228 C LEU A 18 2.698 4.055 1.998 1.00 0.00 C ATOM 229 O LEU A 18 3.646 3.431 1.522 1.00 0.00 O ATOM 230 CB LEU A 18 1.271 4.378 -0.031 1.00 0.00 C ATOM 231 CG LEU A 18 0.421 5.266 -0.940 1.00 0.00 C ATOM 232 CD1 LEU A 18 0.432 4.737 -2.366 1.00 0.00 C ATOM 233 CD2 LEU A 18 -1.004 5.358 -0.414 1.00 0.00 C ATOM 0 H LEU A 18 3.286 5.940 -0.187 1.00 0.00 H new ATOM 0 HA LEU A 18 1.160 5.524 1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.052 3.916 -0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.642 3.572 0.348 1.00 0.00 H new ATOM 0 HG LEU A 18 0.851 6.267 -0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.178 5.382 -2.998 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.455 4.724 -2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.027 3.725 -2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.595 5.994 -1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.445 4.362 -0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.995 5.785 0.589 1.00 0.00 H new ATOM 245 N PHE A 19 2.278 3.890 3.248 1.00 0.00 N ATOM 246 CA PHE A 19 2.923 2.945 4.153 1.00 0.00 C ATOM 247 C PHE A 19 2.376 1.535 3.947 1.00 0.00 C ATOM 248 O PHE A 19 1.220 1.253 4.261 1.00 0.00 O ATOM 249 CB PHE A 19 2.718 3.377 5.607 1.00 0.00 C ATOM 250 CG PHE A 19 3.476 2.536 6.594 1.00 0.00 C ATOM 251 CD1 PHE A 19 4.837 2.720 6.780 1.00 0.00 C ATOM 252 CD2 PHE A 19 2.827 1.561 7.336 1.00 0.00 C ATOM 253 CE1 PHE A 19 5.536 1.948 7.688 1.00 0.00 C ATOM 254 CE2 PHE A 19 3.523 0.788 8.246 1.00 0.00 C ATOM 255 CZ PHE A 19 4.878 0.981 8.422 1.00 0.00 C ATOM 0 H PHE A 19 1.494 4.398 3.657 1.00 0.00 H new ATOM 0 HA PHE A 19 3.990 2.938 3.931 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.026 4.417 5.716 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.655 3.333 5.845 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.357 3.475 6.209 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.767 1.404 7.202 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.597 2.101 7.824 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.006 0.033 8.820 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.423 0.377 9.132 1.00 0.00 H new ATOM 265 N VAL A 20 3.216 0.652 3.416 1.00 0.00 N ATOM 266 CA VAL A 20 2.820 -0.728 3.169 1.00 0.00 C ATOM 267 C VAL A 20 3.474 -1.676 4.167 1.00 0.00 C ATOM 268 O VAL A 20 4.690 -1.867 4.151 1.00 0.00 O ATOM 269 CB VAL A 20 3.188 -1.170 1.740 1.00 0.00 C ATOM 270 CG1 VAL A 20 2.603 -2.542 1.437 1.00 0.00 C ATOM 271 CG2 VAL A 20 2.712 -0.142 0.725 1.00 0.00 C ATOM 0 H VAL A 20 4.176 0.869 3.149 1.00 0.00 H new ATOM 0 HA VAL A 20 1.737 -0.772 3.288 1.00 0.00 H new ATOM 0 HB VAL A 20 4.273 -1.241 1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.874 -2.837 0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.998 -3.271 2.145 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.517 -2.502 1.526 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.981 -0.471 -0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.629 -0.036 0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.185 0.818 0.931 1.00 0.00 H new ATOM 281 N ARG A 21 2.660 -2.267 5.035 1.00 0.00 N ATOM 282 CA ARG A 21 3.160 -3.196 6.041 1.00 0.00 C ATOM 283 C ARG A 21 2.852 -4.639 5.652 1.00 0.00 C ATOM 284 O ARG A 21 2.123 -4.891 4.693 1.00 0.00 O ATOM 285 CB ARG A 21 2.544 -2.883 7.406 1.00 0.00 C ATOM 286 CG ARG A 21 3.534 -2.969 8.556 1.00 0.00 C ATOM 287 CD ARG A 21 2.846 -2.778 9.898 1.00 0.00 C ATOM 288 NE ARG A 21 3.383 -1.634 10.631 1.00 0.00 N ATOM 289 CZ ARG A 21 2.774 -1.077 11.671 1.00 0.00 C ATOM 290 NH1 ARG A 21 1.616 -1.556 12.101 1.00 0.00 N ATOM 291 NH2 ARG A 21 3.326 -0.037 12.286 1.00 0.00 N ATOM 0 H ARG A 21 1.651 -2.119 5.062 1.00 0.00 H new ATOM 0 HA ARG A 21 4.242 -3.077 6.101 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.116 -1.881 7.381 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.723 -3.576 7.592 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.033 -3.938 8.536 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.306 -2.210 8.430 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.777 -2.638 9.740 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.964 -3.681 10.498 1.00 0.00 H new ATOM 0 HE ARG A 21 4.274 -1.242 10.327 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.189 -2.355 11.633 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.151 -1.125 12.900 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.218 0.334 11.959 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.858 0.391 13.085 1.00 0.00 H new ATOM 305 N ASN A 22 3.411 -5.581 6.403 1.00 0.00 N ATOM 306 CA ASN A 22 3.197 -6.999 6.135 1.00 0.00 C ATOM 307 C ASN A 22 3.627 -7.356 4.715 1.00 0.00 C ATOM 308 O ASN A 22 2.791 -7.618 3.849 1.00 0.00 O ATOM 309 CB ASN A 22 1.725 -7.361 6.341 1.00 0.00 C ATOM 310 CG ASN A 22 1.275 -7.160 7.775 1.00 0.00 C ATOM 311 OD1 ASN A 22 2.086 -7.181 8.701 1.00 0.00 O ATOM 312 ND2 ASN A 22 -0.025 -6.963 7.965 1.00 0.00 N ATOM 0 H ASN A 22 4.015 -5.389 7.202 1.00 0.00 H new ATOM 0 HA ASN A 22 3.807 -7.572 6.834 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.108 -6.751 5.681 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.566 -8.401 6.056 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.387 -6.821 8.908 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.661 -6.953 7.168 1.00 0.00 H new ATOM 319 N LEU A 23 4.934 -7.364 4.484 1.00 0.00 N ATOM 320 CA LEU A 23 5.476 -7.690 3.168 1.00 0.00 C ATOM 321 C LEU A 23 6.110 -9.077 3.169 1.00 0.00 C ATOM 322 O LEU A 23 6.332 -9.669 4.225 1.00 0.00 O ATOM 323 CB LEU A 23 6.510 -6.645 2.748 1.00 0.00 C ATOM 324 CG LEU A 23 5.960 -5.401 2.049 1.00 0.00 C ATOM 325 CD1 LEU A 23 4.851 -4.769 2.875 1.00 0.00 C ATOM 326 CD2 LEU A 23 7.075 -4.396 1.793 1.00 0.00 C ATOM 0 H LEU A 23 5.639 -7.149 5.189 1.00 0.00 H new ATOM 0 HA LEU A 23 4.654 -7.687 2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.057 -6.327 3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.230 -7.122 2.084 1.00 0.00 H new ATOM 0 HG LEU A 23 5.542 -5.703 1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.473 -3.885 2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.041 -5.487 3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.243 -4.481 3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.665 -3.517 1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.523 -4.100 2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.836 -4.851 1.159 1.00 0.00 H new ATOM 338 N ALA A 24 6.402 -9.590 1.978 1.00 0.00 N ATOM 339 CA ALA A 24 7.014 -10.906 1.840 1.00 0.00 C ATOM 340 C ALA A 24 8.533 -10.818 1.952 1.00 0.00 C ATOM 341 O ALA A 24 9.138 -9.825 1.550 1.00 0.00 O ATOM 342 CB ALA A 24 6.615 -11.537 0.516 1.00 0.00 C ATOM 0 H ALA A 24 6.224 -9.113 1.094 1.00 0.00 H new ATOM 0 HA ALA A 24 6.652 -11.536 2.652 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.079 -12.519 0.426 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.531 -11.643 0.475 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.948 -10.902 -0.305 1.00 0.00 H new ATOM 348 N THR A 25 9.142 -11.864 2.501 1.00 0.00 N ATOM 349 CA THR A 25 10.589 -11.905 2.667 1.00 0.00 C ATOM 350 C THR A 25 11.274 -12.412 1.403 1.00 0.00 C ATOM 351 O THR A 25 12.440 -12.109 1.150 1.00 0.00 O ATOM 352 CB THR A 25 10.993 -12.803 3.851 1.00 0.00 C ATOM 353 OG1 THR A 25 10.137 -13.948 3.913 1.00 0.00 O ATOM 354 CG2 THR A 25 10.918 -12.035 5.163 1.00 0.00 C ATOM 0 H THR A 25 8.655 -12.694 2.838 1.00 0.00 H new ATOM 0 HA THR A 25 10.913 -10.884 2.867 1.00 0.00 H new ATOM 0 HB THR A 25 12.022 -13.128 3.697 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.402 -14.514 4.668 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.208 -12.690 5.985 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.594 -11.181 5.124 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.898 -11.684 5.321 1.00 0.00 H new ATOM 362 N THR A 26 10.540 -13.187 0.609 1.00 0.00 N ATOM 363 CA THR A 26 11.077 -13.738 -0.629 1.00 0.00 C ATOM 364 C THR A 26 11.033 -12.708 -1.753 1.00 0.00 C ATOM 365 O THR A 26 11.869 -12.723 -2.656 1.00 0.00 O ATOM 366 CB THR A 26 10.301 -14.993 -1.068 1.00 0.00 C ATOM 367 OG1 THR A 26 8.934 -14.658 -1.330 1.00 0.00 O ATOM 368 CG2 THR A 26 10.368 -16.073 0.002 1.00 0.00 C ATOM 0 H THR A 26 9.573 -13.447 0.802 1.00 0.00 H new ATOM 0 HA THR A 26 12.113 -14.012 -0.430 1.00 0.00 H new ATOM 0 HB THR A 26 10.761 -15.377 -1.979 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.448 -15.462 -1.610 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.813 -16.950 -0.331 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.408 -16.347 0.177 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.931 -15.696 0.927 1.00 0.00 H new ATOM 376 N VAL A 27 10.052 -11.813 -1.691 1.00 0.00 N ATOM 377 CA VAL A 27 9.900 -10.774 -2.702 1.00 0.00 C ATOM 378 C VAL A 27 11.063 -9.788 -2.657 1.00 0.00 C ATOM 379 O VAL A 27 11.788 -9.711 -1.665 1.00 0.00 O ATOM 380 CB VAL A 27 8.580 -10.002 -2.520 1.00 0.00 C ATOM 381 CG1 VAL A 27 7.396 -10.956 -2.534 1.00 0.00 C ATOM 382 CG2 VAL A 27 8.609 -9.195 -1.230 1.00 0.00 C ATOM 0 H VAL A 27 9.351 -11.787 -0.951 1.00 0.00 H new ATOM 0 HA VAL A 27 9.889 -11.275 -3.670 1.00 0.00 H new ATOM 0 HB VAL A 27 8.467 -9.309 -3.354 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.473 -10.392 -2.404 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.367 -11.486 -3.486 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.499 -11.676 -1.722 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.669 -8.656 -1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.746 -9.867 -0.383 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.434 -8.483 -1.265 1.00 0.00 H new ATOM 392 N THR A 28 11.235 -9.036 -3.740 1.00 0.00 N ATOM 393 CA THR A 28 12.310 -8.055 -3.824 1.00 0.00 C ATOM 394 C THR A 28 11.782 -6.699 -4.279 1.00 0.00 C ATOM 395 O THR A 28 10.661 -6.594 -4.774 1.00 0.00 O ATOM 396 CB THR A 28 13.415 -8.515 -4.795 1.00 0.00 C ATOM 397 OG1 THR A 28 14.480 -7.560 -4.813 1.00 0.00 O ATOM 398 CG2 THR A 28 12.861 -8.693 -6.200 1.00 0.00 C ATOM 0 H THR A 28 10.644 -9.088 -4.570 1.00 0.00 H new ATOM 0 HA THR A 28 12.732 -7.961 -2.823 1.00 0.00 H new ATOM 0 HB THR A 28 13.796 -9.476 -4.448 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.179 -7.861 -5.431 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.659 -9.018 -6.867 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.071 -9.444 -6.187 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.455 -7.745 -6.554 1.00 0.00 H new ATOM 406 N GLU A 29 12.599 -5.664 -4.110 1.00 0.00 N ATOM 407 CA GLU A 29 12.213 -4.315 -4.504 1.00 0.00 C ATOM 408 C GLU A 29 11.785 -4.276 -5.968 1.00 0.00 C ATOM 409 O GLU A 29 10.975 -3.441 -6.366 1.00 0.00 O ATOM 410 CB GLU A 29 13.372 -3.341 -4.273 1.00 0.00 C ATOM 411 CG GLU A 29 13.657 -3.070 -2.806 1.00 0.00 C ATOM 412 CD GLU A 29 14.834 -2.136 -2.604 1.00 0.00 C ATOM 413 OE1 GLU A 29 15.120 -1.334 -3.518 1.00 0.00 O ATOM 414 OE2 GLU A 29 15.469 -2.206 -1.530 1.00 0.00 O ATOM 0 H GLU A 29 13.532 -5.734 -3.703 1.00 0.00 H new ATOM 0 HA GLU A 29 11.366 -4.013 -3.888 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.271 -3.742 -4.741 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.147 -2.398 -4.771 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.771 -2.638 -2.341 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.855 -4.014 -2.298 1.00 0.00 H new ATOM 421 N GLU A 30 12.337 -5.188 -6.763 1.00 0.00 N ATOM 422 CA GLU A 30 12.012 -5.257 -8.183 1.00 0.00 C ATOM 423 C GLU A 30 10.544 -5.621 -8.389 1.00 0.00 C ATOM 424 O GLU A 30 9.846 -4.999 -9.191 1.00 0.00 O ATOM 425 CB GLU A 30 12.906 -6.282 -8.884 1.00 0.00 C ATOM 426 CG GLU A 30 13.390 -5.834 -10.253 1.00 0.00 C ATOM 427 CD GLU A 30 12.408 -6.171 -11.358 1.00 0.00 C ATOM 428 OE1 GLU A 30 12.511 -7.279 -11.924 1.00 0.00 O ATOM 429 OE2 GLU A 30 11.538 -5.327 -11.656 1.00 0.00 O ATOM 0 H GLU A 30 13.010 -5.887 -6.449 1.00 0.00 H new ATOM 0 HA GLU A 30 12.189 -4.273 -8.618 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.770 -6.490 -8.253 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.357 -7.218 -8.991 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.561 -4.758 -10.240 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.349 -6.306 -10.468 1.00 0.00 H new ATOM 436 N ILE A 31 10.084 -6.633 -7.662 1.00 0.00 N ATOM 437 CA ILE A 31 8.701 -7.080 -7.764 1.00 0.00 C ATOM 438 C ILE A 31 7.735 -5.978 -7.340 1.00 0.00 C ATOM 439 O ILE A 31 6.832 -5.607 -8.090 1.00 0.00 O ATOM 440 CB ILE A 31 8.447 -8.330 -6.901 1.00 0.00 C ATOM 441 CG1 ILE A 31 9.393 -9.461 -7.311 1.00 0.00 C ATOM 442 CG2 ILE A 31 6.998 -8.774 -7.025 1.00 0.00 C ATOM 443 CD1 ILE A 31 9.458 -10.589 -6.307 1.00 0.00 C ATOM 0 H ILE A 31 10.649 -7.159 -6.996 1.00 0.00 H new ATOM 0 HA ILE A 31 8.527 -7.331 -8.810 1.00 0.00 H new ATOM 0 HB ILE A 31 8.642 -8.079 -5.858 1.00 0.00 H new ATOM 0 HG12 ILE A 31 9.073 -9.860 -8.273 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.394 -9.053 -7.452 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.835 -9.658 -6.409 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.341 -7.971 -6.689 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.778 -9.011 -8.066 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.147 -11.354 -6.664 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.807 -10.204 -5.349 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.466 -11.024 -6.183 1.00 0.00 H new ATOM 455 N LEU A 32 7.931 -5.459 -6.133 1.00 0.00 N ATOM 456 CA LEU A 32 7.079 -4.399 -5.608 1.00 0.00 C ATOM 457 C LEU A 32 6.993 -3.234 -6.589 1.00 0.00 C ATOM 458 O LEU A 32 5.915 -2.694 -6.833 1.00 0.00 O ATOM 459 CB LEU A 32 7.612 -3.908 -4.261 1.00 0.00 C ATOM 460 CG LEU A 32 7.637 -4.940 -3.133 1.00 0.00 C ATOM 461 CD1 LEU A 32 8.881 -4.763 -2.276 1.00 0.00 C ATOM 462 CD2 LEU A 32 6.381 -4.830 -2.282 1.00 0.00 C ATOM 0 H LEU A 32 8.673 -5.756 -5.499 1.00 0.00 H new ATOM 0 HA LEU A 32 6.078 -4.807 -5.468 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.626 -3.535 -4.408 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.005 -3.062 -3.939 1.00 0.00 H new ATOM 0 HG LEU A 32 7.665 -5.935 -3.577 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.882 -5.506 -1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.770 -4.893 -2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.884 -3.764 -1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.416 -5.572 -1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.322 -3.832 -1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.503 -5.007 -2.904 1.00 0.00 H new ATOM 474 N GLU A 33 8.137 -2.854 -7.150 1.00 0.00 N ATOM 475 CA GLU A 33 8.190 -1.754 -8.105 1.00 0.00 C ATOM 476 C GLU A 33 7.271 -2.021 -9.294 1.00 0.00 C ATOM 477 O GLU A 33 6.794 -1.092 -9.947 1.00 0.00 O ATOM 478 CB GLU A 33 9.625 -1.540 -8.592 1.00 0.00 C ATOM 479 CG GLU A 33 10.264 -0.267 -8.066 1.00 0.00 C ATOM 480 CD GLU A 33 11.570 0.062 -8.763 1.00 0.00 C ATOM 481 OE1 GLU A 33 11.530 0.450 -9.949 1.00 0.00 O ATOM 482 OE2 GLU A 33 12.633 -0.069 -8.121 1.00 0.00 O ATOM 0 H GLU A 33 9.038 -3.292 -6.960 1.00 0.00 H new ATOM 0 HA GLU A 33 7.848 -0.851 -7.599 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.233 -2.393 -8.290 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.630 -1.515 -9.682 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.569 0.563 -8.194 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.444 -0.371 -6.996 1.00 0.00 H new ATOM 489 N LYS A 34 7.029 -3.298 -9.571 1.00 0.00 N ATOM 490 CA LYS A 34 6.168 -3.690 -10.680 1.00 0.00 C ATOM 491 C LYS A 34 4.724 -3.849 -10.218 1.00 0.00 C ATOM 492 O LYS A 34 3.789 -3.701 -11.006 1.00 0.00 O ATOM 493 CB LYS A 34 6.663 -5.000 -11.299 1.00 0.00 C ATOM 494 CG LYS A 34 7.229 -4.834 -12.699 1.00 0.00 C ATOM 495 CD LYS A 34 8.634 -5.404 -12.803 1.00 0.00 C ATOM 496 CE LYS A 34 9.044 -5.616 -14.252 1.00 0.00 C ATOM 497 NZ LYS A 34 9.223 -4.325 -14.973 1.00 0.00 N ATOM 0 H LYS A 34 7.417 -4.079 -9.042 1.00 0.00 H new ATOM 0 HA LYS A 34 6.206 -2.902 -11.432 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.430 -5.430 -10.655 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.838 -5.712 -11.331 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.579 -5.333 -13.417 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.244 -3.777 -12.964 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.339 -4.727 -12.320 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.684 -6.352 -12.267 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.974 -6.183 -14.287 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.287 -6.214 -14.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.502 -4.513 -15.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.329 -3.794 -14.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.963 -3.765 -14.504 1.00 0.00 H new ATOM 511 N SER A 35 4.547 -4.151 -8.935 1.00 0.00 N ATOM 512 CA SER A 35 3.215 -4.331 -8.368 1.00 0.00 C ATOM 513 C SER A 35 2.462 -3.005 -8.318 1.00 0.00 C ATOM 514 O SER A 35 1.241 -2.966 -8.475 1.00 0.00 O ATOM 515 CB SER A 35 3.313 -4.929 -6.964 1.00 0.00 C ATOM 516 OG SER A 35 4.268 -5.974 -6.920 1.00 0.00 O ATOM 0 H SER A 35 5.309 -4.276 -8.269 1.00 0.00 H new ATOM 0 HA SER A 35 2.663 -5.018 -9.010 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.588 -4.151 -6.252 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.338 -5.310 -6.659 1.00 0.00 H new ATOM 0 HG SER A 35 4.313 -6.338 -6.011 1.00 0.00 H new ATOM 522 N PHE A 36 3.199 -1.921 -8.099 1.00 0.00 N ATOM 523 CA PHE A 36 2.601 -0.593 -8.026 1.00 0.00 C ATOM 524 C PHE A 36 2.664 0.106 -9.381 1.00 0.00 C ATOM 525 O PHE A 36 1.774 0.878 -9.736 1.00 0.00 O ATOM 526 CB PHE A 36 3.313 0.253 -6.969 1.00 0.00 C ATOM 527 CG PHE A 36 3.034 -0.188 -5.561 1.00 0.00 C ATOM 528 CD1 PHE A 36 1.862 0.187 -4.923 1.00 0.00 C ATOM 529 CD2 PHE A 36 3.943 -0.976 -4.873 1.00 0.00 C ATOM 530 CE1 PHE A 36 1.602 -0.217 -3.627 1.00 0.00 C ATOM 531 CE2 PHE A 36 3.687 -1.384 -3.579 1.00 0.00 C ATOM 532 CZ PHE A 36 2.515 -1.003 -2.954 1.00 0.00 C ATOM 0 H PHE A 36 4.211 -1.936 -7.969 1.00 0.00 H new ATOM 0 HA PHE A 36 1.554 -0.708 -7.744 1.00 0.00 H new ATOM 0 HB2 PHE A 36 4.388 0.214 -7.147 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.009 1.293 -7.082 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.144 0.802 -5.445 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.862 -1.274 -5.355 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.685 0.082 -3.141 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.403 -2.001 -3.056 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.314 -1.320 -1.941 1.00 0.00 H new ATOM 542 N SER A 37 3.725 -0.170 -10.134 1.00 0.00 N ATOM 543 CA SER A 37 3.908 0.436 -11.447 1.00 0.00 C ATOM 544 C SER A 37 2.674 0.226 -12.319 1.00 0.00 C ATOM 545 O SER A 37 2.304 1.094 -13.109 1.00 0.00 O ATOM 546 CB SER A 37 5.140 -0.153 -12.137 1.00 0.00 C ATOM 547 OG SER A 37 4.987 -0.150 -13.545 1.00 0.00 O ATOM 0 H SER A 37 4.470 -0.809 -9.857 1.00 0.00 H new ATOM 0 HA SER A 37 4.055 1.507 -11.308 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.024 0.423 -11.863 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.303 -1.173 -11.788 1.00 0.00 H new ATOM 0 HG SER A 37 5.788 -0.530 -13.962 1.00 0.00 H new ATOM 553 N GLU A 38 2.041 -0.934 -12.169 1.00 0.00 N ATOM 554 CA GLU A 38 0.850 -1.259 -12.944 1.00 0.00 C ATOM 555 C GLU A 38 -0.221 -0.185 -12.771 1.00 0.00 C ATOM 556 O GLU A 38 -1.062 0.015 -13.648 1.00 0.00 O ATOM 557 CB GLU A 38 0.295 -2.621 -12.520 1.00 0.00 C ATOM 558 CG GLU A 38 -0.076 -2.696 -11.049 1.00 0.00 C ATOM 559 CD GLU A 38 -1.551 -2.969 -10.832 1.00 0.00 C ATOM 560 OE1 GLU A 38 -2.382 -2.256 -11.433 1.00 0.00 O ATOM 561 OE2 GLU A 38 -1.875 -3.897 -10.061 1.00 0.00 O ATOM 0 H GLU A 38 2.333 -1.663 -11.518 1.00 0.00 H new ATOM 0 HA GLU A 38 1.132 -1.301 -13.996 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.586 -2.848 -13.120 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.036 -3.390 -12.739 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.509 -3.481 -10.570 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.191 -1.758 -10.563 1.00 0.00 H new ATOM 568 N PHE A 39 -0.183 0.502 -11.634 1.00 0.00 N ATOM 569 CA PHE A 39 -1.150 1.554 -11.345 1.00 0.00 C ATOM 570 C PHE A 39 -0.679 2.894 -11.902 1.00 0.00 C ATOM 571 O PHE A 39 -1.419 3.580 -12.606 1.00 0.00 O ATOM 572 CB PHE A 39 -1.376 1.668 -9.835 1.00 0.00 C ATOM 573 CG PHE A 39 -2.226 0.565 -9.272 1.00 0.00 C ATOM 574 CD1 PHE A 39 -3.608 0.645 -9.317 1.00 0.00 C ATOM 575 CD2 PHE A 39 -1.641 -0.552 -8.697 1.00 0.00 C ATOM 576 CE1 PHE A 39 -4.392 -0.367 -8.799 1.00 0.00 C ATOM 577 CE2 PHE A 39 -2.420 -1.568 -8.176 1.00 0.00 C ATOM 578 CZ PHE A 39 -3.797 -1.477 -8.228 1.00 0.00 C ATOM 0 H PHE A 39 0.507 0.349 -10.898 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.091 1.290 -11.828 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.410 1.666 -9.330 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.847 2.626 -9.617 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.078 1.509 -9.763 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.565 -0.629 -8.656 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.469 -0.292 -8.840 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.952 -2.432 -7.729 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.408 -2.271 -7.824 1.00 0.00 H new ATOM 588 N GLY A 40 0.558 3.260 -11.581 1.00 0.00 N ATOM 589 CA GLY A 40 1.107 4.517 -12.057 1.00 0.00 C ATOM 590 C GLY A 40 2.618 4.567 -11.951 1.00 0.00 C ATOM 591 O GLY A 40 3.214 3.869 -11.130 1.00 0.00 O ATOM 0 H GLY A 40 1.190 2.709 -11.000 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.814 4.668 -13.096 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.678 5.338 -11.482 1.00 0.00 H new ATOM 595 N LYS A 41 3.241 5.392 -12.784 1.00 0.00 N ATOM 596 CA LYS A 41 4.693 5.530 -12.782 1.00 0.00 C ATOM 597 C LYS A 41 5.210 5.816 -11.375 1.00 0.00 C ATOM 598 O LYS A 41 5.000 6.903 -10.835 1.00 0.00 O ATOM 599 CB LYS A 41 5.120 6.652 -13.731 1.00 0.00 C ATOM 600 CG LYS A 41 6.023 6.183 -14.859 1.00 0.00 C ATOM 601 CD LYS A 41 7.463 6.039 -14.398 1.00 0.00 C ATOM 602 CE LYS A 41 8.269 5.168 -15.349 1.00 0.00 C ATOM 603 NZ LYS A 41 9.516 5.846 -15.801 1.00 0.00 N ATOM 0 H LYS A 41 2.763 5.976 -13.470 1.00 0.00 H new ATOM 0 HA LYS A 41 5.123 4.589 -13.124 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.230 7.114 -14.158 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.637 7.423 -13.160 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.665 5.226 -15.239 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.974 6.893 -15.685 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.923 7.024 -14.327 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.484 5.604 -13.399 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.524 4.231 -14.855 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.658 4.915 -16.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.037 5.220 -16.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.272 6.728 -16.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.111 6.064 -14.976 1.00 0.00 H new ATOM 617 N LEU A 42 5.888 4.835 -10.790 1.00 0.00 N ATOM 618 CA LEU A 42 6.437 4.982 -9.446 1.00 0.00 C ATOM 619 C LEU A 42 7.585 5.986 -9.434 1.00 0.00 C ATOM 620 O LEU A 42 8.032 6.445 -10.485 1.00 0.00 O ATOM 621 CB LEU A 42 6.923 3.630 -8.922 1.00 0.00 C ATOM 622 CG LEU A 42 5.847 2.560 -8.728 1.00 0.00 C ATOM 623 CD1 LEU A 42 6.472 1.251 -8.268 1.00 0.00 C ATOM 624 CD2 LEU A 42 4.800 3.032 -7.729 1.00 0.00 C ATOM 0 H LEU A 42 6.071 3.930 -11.224 1.00 0.00 H new ATOM 0 HA LEU A 42 5.645 5.354 -8.796 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.672 3.243 -9.613 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.423 3.791 -7.967 1.00 0.00 H new ATOM 0 HG LEU A 42 5.356 2.388 -9.686 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.691 0.502 -8.135 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.184 0.905 -9.017 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.989 1.408 -7.321 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.042 2.259 -7.603 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.277 3.232 -6.770 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.330 3.944 -8.098 1.00 0.00 H new ATOM 636 N GLU A 43 8.058 6.322 -8.237 1.00 0.00 N ATOM 637 CA GLU A 43 9.154 7.272 -8.089 1.00 0.00 C ATOM 638 C GLU A 43 10.389 6.590 -7.508 1.00 0.00 C ATOM 639 O GLU A 43 11.499 6.752 -8.016 1.00 0.00 O ATOM 640 CB GLU A 43 8.732 8.438 -7.192 1.00 0.00 C ATOM 641 CG GLU A 43 8.697 9.776 -7.911 1.00 0.00 C ATOM 642 CD GLU A 43 10.079 10.268 -8.295 1.00 0.00 C ATOM 643 OE1 GLU A 43 11.065 9.563 -7.997 1.00 0.00 O ATOM 644 OE2 GLU A 43 10.173 11.359 -8.897 1.00 0.00 O ATOM 0 H GLU A 43 7.699 5.951 -7.357 1.00 0.00 H new ATOM 0 HA GLU A 43 9.403 7.657 -9.078 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.744 8.230 -6.780 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.421 8.505 -6.350 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.085 9.686 -8.809 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.217 10.516 -7.271 1.00 0.00 H new ATOM 651 N ARG A 44 10.189 5.827 -6.438 1.00 0.00 N ATOM 652 CA ARG A 44 11.284 5.122 -5.785 1.00 0.00 C ATOM 653 C ARG A 44 10.769 4.252 -4.643 1.00 0.00 C ATOM 654 O ARG A 44 9.869 4.651 -3.902 1.00 0.00 O ATOM 655 CB ARG A 44 12.317 6.119 -5.255 1.00 0.00 C ATOM 656 CG ARG A 44 13.441 5.469 -4.466 1.00 0.00 C ATOM 657 CD ARG A 44 14.341 4.633 -5.361 1.00 0.00 C ATOM 658 NE ARG A 44 15.732 5.075 -5.305 1.00 0.00 N ATOM 659 CZ ARG A 44 16.720 4.480 -5.965 1.00 0.00 C ATOM 660 NH1 ARG A 44 16.470 3.425 -6.729 1.00 0.00 N ATOM 661 NH2 ARG A 44 17.960 4.941 -5.863 1.00 0.00 N ATOM 0 H ARG A 44 9.277 5.682 -6.005 1.00 0.00 H new ATOM 0 HA ARG A 44 11.758 4.476 -6.524 1.00 0.00 H new ATOM 0 HB2 ARG A 44 12.744 6.668 -6.094 1.00 0.00 H new ATOM 0 HB3 ARG A 44 11.813 6.848 -4.620 1.00 0.00 H new ATOM 0 HG2 ARG A 44 14.033 6.240 -3.972 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.020 4.839 -3.682 1.00 0.00 H new ATOM 0 HD2 ARG A 44 14.281 3.587 -5.060 1.00 0.00 H new ATOM 0 HD3 ARG A 44 13.984 4.690 -6.389 1.00 0.00 H new ATOM 0 HE ARG A 44 15.957 5.885 -4.727 1.00 0.00 H new ATOM 0 HH11 ARG A 44 15.518 3.069 -6.811 1.00 0.00 H new ATOM 0 HH12 ARG A 44 17.230 2.970 -7.235 1.00 0.00 H new ATOM 0 HH21 ARG A 44 18.156 5.753 -5.277 1.00 0.00 H new ATOM 0 HH22 ARG A 44 18.718 4.483 -6.370 1.00 0.00 H new ATOM 675 N VAL A 45 11.343 3.061 -4.506 1.00 0.00 N ATOM 676 CA VAL A 45 10.942 2.135 -3.453 1.00 0.00 C ATOM 677 C VAL A 45 12.140 1.700 -2.618 1.00 0.00 C ATOM 678 O VAL A 45 13.263 1.623 -3.116 1.00 0.00 O ATOM 679 CB VAL A 45 10.255 0.886 -4.037 1.00 0.00 C ATOM 680 CG1 VAL A 45 9.690 0.018 -2.923 1.00 0.00 C ATOM 681 CG2 VAL A 45 9.164 1.288 -5.018 1.00 0.00 C ATOM 0 H VAL A 45 12.087 2.714 -5.111 1.00 0.00 H new ATOM 0 HA VAL A 45 10.234 2.666 -2.817 1.00 0.00 H new ATOM 0 HB VAL A 45 11.000 0.302 -4.578 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.208 -0.860 -3.354 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.498 -0.299 -2.263 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.958 0.590 -2.352 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.689 0.393 -5.421 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.418 1.895 -4.504 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.602 1.865 -5.833 1.00 0.00 H new ATOM 691 N LYS A 46 11.894 1.415 -1.344 1.00 0.00 N ATOM 692 CA LYS A 46 12.951 0.985 -0.438 1.00 0.00 C ATOM 693 C LYS A 46 12.433 -0.059 0.547 1.00 0.00 C ATOM 694 O LYS A 46 11.345 0.084 1.104 1.00 0.00 O ATOM 695 CB LYS A 46 13.517 2.185 0.325 1.00 0.00 C ATOM 696 CG LYS A 46 14.997 2.060 0.644 1.00 0.00 C ATOM 697 CD LYS A 46 15.839 2.040 -0.620 1.00 0.00 C ATOM 698 CE LYS A 46 17.242 2.568 -0.363 1.00 0.00 C ATOM 699 NZ LYS A 46 18.229 1.465 -0.194 1.00 0.00 N ATOM 0 H LYS A 46 10.970 1.474 -0.915 1.00 0.00 H new ATOM 0 HA LYS A 46 13.744 0.534 -1.034 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.356 3.088 -0.264 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.962 2.308 1.255 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.306 2.893 1.275 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.172 1.147 1.213 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.897 1.021 -1.004 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.357 2.644 -1.389 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.548 3.205 -1.193 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.237 3.191 0.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 19.172 1.867 -0.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 17.952 0.872 0.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 18.253 0.885 -1.057 1.00 0.00 H new ATOM 713 N LYS A 47 13.220 -1.109 0.759 1.00 0.00 N ATOM 714 CA LYS A 47 12.843 -2.176 1.679 1.00 0.00 C ATOM 715 C LYS A 47 13.313 -1.864 3.096 1.00 0.00 C ATOM 716 O LYS A 47 14.485 -2.047 3.426 1.00 0.00 O ATOM 717 CB LYS A 47 13.436 -3.508 1.215 1.00 0.00 C ATOM 718 CG LYS A 47 12.563 -4.708 1.544 1.00 0.00 C ATOM 719 CD LYS A 47 12.543 -5.713 0.404 1.00 0.00 C ATOM 720 CE LYS A 47 11.718 -6.940 0.757 1.00 0.00 C ATOM 721 NZ LYS A 47 12.537 -8.183 0.739 1.00 0.00 N ATOM 0 H LYS A 47 14.124 -1.244 0.306 1.00 0.00 H new ATOM 0 HA LYS A 47 11.756 -2.251 1.685 1.00 0.00 H new ATOM 0 HB2 LYS A 47 13.596 -3.470 0.137 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.414 -3.642 1.678 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.932 -5.190 2.449 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.547 -4.373 1.753 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.133 -5.243 -0.490 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.563 -6.015 0.166 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.278 -6.809 1.746 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.893 -7.038 0.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.297 -8.769 1.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.341 -8.715 -0.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.546 -7.934 0.773 1.00 0.00 H new ATOM 735 N LEU A 48 12.392 -1.392 3.929 1.00 0.00 N ATOM 736 CA LEU A 48 12.711 -1.056 5.312 1.00 0.00 C ATOM 737 C LEU A 48 11.792 -1.796 6.278 1.00 0.00 C ATOM 738 O LEU A 48 10.597 -1.508 6.359 1.00 0.00 O ATOM 739 CB LEU A 48 12.593 0.453 5.531 1.00 0.00 C ATOM 740 CG LEU A 48 13.775 1.296 5.052 1.00 0.00 C ATOM 741 CD1 LEU A 48 15.056 0.862 5.746 1.00 0.00 C ATOM 742 CD2 LEU A 48 13.924 1.194 3.541 1.00 0.00 C ATOM 0 H LEU A 48 11.418 -1.233 3.671 1.00 0.00 H new ATOM 0 HA LEU A 48 13.738 -1.366 5.508 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.694 0.804 5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.451 0.635 6.596 1.00 0.00 H new ATOM 0 HG LEU A 48 13.582 2.338 5.309 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.886 1.473 5.392 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.946 0.987 6.823 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.255 -0.186 5.521 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.770 1.800 3.217 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.094 0.154 3.262 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.014 1.554 3.061 1.00 0.00 H new ATOM 754 N LYS A 49 12.357 -2.749 7.013 1.00 0.00 N ATOM 755 CA LYS A 49 11.590 -3.528 7.976 1.00 0.00 C ATOM 756 C LYS A 49 10.504 -4.342 7.279 1.00 0.00 C ATOM 757 O LYS A 49 10.545 -4.536 6.064 1.00 0.00 O ATOM 758 CB LYS A 49 10.957 -2.606 9.021 1.00 0.00 C ATOM 759 CG LYS A 49 11.072 -3.130 10.443 1.00 0.00 C ATOM 760 CD LYS A 49 12.037 -2.295 11.268 1.00 0.00 C ATOM 761 CE LYS A 49 12.936 -3.171 12.127 1.00 0.00 C ATOM 762 NZ LYS A 49 13.668 -2.377 13.152 1.00 0.00 N ATOM 0 H LYS A 49 13.344 -3.000 6.959 1.00 0.00 H new ATOM 0 HA LYS A 49 12.273 -4.217 8.473 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.431 -1.626 8.964 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.904 -2.465 8.779 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.089 -3.124 10.915 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.410 -4.166 10.424 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.649 -1.683 10.605 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.476 -1.612 11.905 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.335 -3.935 12.620 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.652 -3.691 11.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.270 -3.010 13.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.261 -1.665 12.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.985 -1.901 13.775 1.00 0.00 H new ATOM 776 N ASP A 50 9.534 -4.814 8.054 1.00 0.00 N ATOM 777 CA ASP A 50 8.436 -5.604 7.510 1.00 0.00 C ATOM 778 C ASP A 50 7.634 -4.794 6.496 1.00 0.00 C ATOM 779 O ASP A 50 6.860 -5.349 5.715 1.00 0.00 O ATOM 780 CB ASP A 50 7.519 -6.086 8.636 1.00 0.00 C ATOM 781 CG ASP A 50 7.910 -7.456 9.153 1.00 0.00 C ATOM 782 OD1 ASP A 50 8.935 -7.554 9.859 1.00 0.00 O ATOM 783 OD2 ASP A 50 7.191 -8.432 8.851 1.00 0.00 O ATOM 0 H ASP A 50 9.486 -4.663 9.062 1.00 0.00 H new ATOM 0 HA ASP A 50 8.861 -6.470 7.002 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.548 -5.369 9.457 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.491 -6.116 8.276 1.00 0.00 H new ATOM 788 N TYR A 51 7.823 -3.479 6.514 1.00 0.00 N ATOM 789 CA TYR A 51 7.115 -2.592 5.599 1.00 0.00 C ATOM 790 C TYR A 51 8.048 -2.078 4.507 1.00 0.00 C ATOM 791 O TYR A 51 9.206 -2.487 4.422 1.00 0.00 O ATOM 792 CB TYR A 51 6.509 -1.414 6.364 1.00 0.00 C ATOM 793 CG TYR A 51 7.493 -0.711 7.271 1.00 0.00 C ATOM 794 CD1 TYR A 51 8.355 0.260 6.774 1.00 0.00 C ATOM 795 CD2 TYR A 51 7.562 -1.017 8.624 1.00 0.00 C ATOM 796 CE1 TYR A 51 9.256 0.904 7.599 1.00 0.00 C ATOM 797 CE2 TYR A 51 8.458 -0.376 9.457 1.00 0.00 C ATOM 798 CZ TYR A 51 9.304 0.584 8.939 1.00 0.00 C ATOM 799 OH TYR A 51 10.199 1.223 9.766 1.00 0.00 O ATOM 0 H TYR A 51 8.461 -3.004 7.153 1.00 0.00 H new ATOM 0 HA TYR A 51 6.314 -3.162 5.128 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.109 -0.695 5.649 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.670 -1.772 6.960 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.319 0.515 5.725 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.903 -1.769 9.032 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.920 1.655 7.196 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.497 -0.624 10.507 1.00 0.00 H new ATOM 0 HH TYR A 51 10.102 0.881 10.679 1.00 0.00 H new ATOM 809 N ALA A 52 7.536 -1.179 3.674 1.00 0.00 N ATOM 810 CA ALA A 52 8.322 -0.606 2.590 1.00 0.00 C ATOM 811 C ALA A 52 7.954 0.856 2.357 1.00 0.00 C ATOM 812 O ALA A 52 6.863 1.297 2.717 1.00 0.00 O ATOM 813 CB ALA A 52 8.126 -1.410 1.313 1.00 0.00 C ATOM 0 H ALA A 52 6.579 -0.831 3.730 1.00 0.00 H new ATOM 0 HA ALA A 52 9.373 -0.648 2.876 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.719 -0.970 0.511 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.445 -2.439 1.478 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.073 -1.398 1.033 1.00 0.00 H new ATOM 819 N PHE A 53 8.874 1.604 1.756 1.00 0.00 N ATOM 820 CA PHE A 53 8.647 3.017 1.477 1.00 0.00 C ATOM 821 C PHE A 53 8.664 3.285 -0.025 1.00 0.00 C ATOM 822 O PHE A 53 9.719 3.260 -0.659 1.00 0.00 O ATOM 823 CB PHE A 53 9.709 3.872 2.171 1.00 0.00 C ATOM 824 CG PHE A 53 9.502 3.999 3.653 1.00 0.00 C ATOM 825 CD1 PHE A 53 8.263 4.346 4.166 1.00 0.00 C ATOM 826 CD2 PHE A 53 10.546 3.769 4.535 1.00 0.00 C ATOM 827 CE1 PHE A 53 8.069 4.464 5.530 1.00 0.00 C ATOM 828 CE2 PHE A 53 10.360 3.884 5.898 1.00 0.00 C ATOM 829 CZ PHE A 53 9.119 4.232 6.397 1.00 0.00 C ATOM 0 H PHE A 53 9.783 1.255 1.453 1.00 0.00 H new ATOM 0 HA PHE A 53 7.664 3.285 1.864 1.00 0.00 H new ATOM 0 HB2 PHE A 53 10.692 3.438 1.985 1.00 0.00 H new ATOM 0 HB3 PHE A 53 9.711 4.867 1.726 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.438 4.527 3.492 1.00 0.00 H new ATOM 0 HD2 PHE A 53 11.518 3.496 4.151 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.098 4.737 5.917 1.00 0.00 H new ATOM 0 HE2 PHE A 53 11.183 3.702 6.573 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.970 4.322 7.463 1.00 0.00 H new ATOM 839 N VAL A 54 7.487 3.541 -0.588 1.00 0.00 N ATOM 840 CA VAL A 54 7.367 3.815 -2.015 1.00 0.00 C ATOM 841 C VAL A 54 6.859 5.230 -2.263 1.00 0.00 C ATOM 842 O VAL A 54 6.034 5.746 -1.508 1.00 0.00 O ATOM 843 CB VAL A 54 6.416 2.814 -2.699 1.00 0.00 C ATOM 844 CG1 VAL A 54 6.367 3.063 -4.199 1.00 0.00 C ATOM 845 CG2 VAL A 54 6.844 1.384 -2.402 1.00 0.00 C ATOM 0 H VAL A 54 6.604 3.564 -0.078 1.00 0.00 H new ATOM 0 HA VAL A 54 8.364 3.710 -2.442 1.00 0.00 H new ATOM 0 HB VAL A 54 5.413 2.960 -2.297 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.690 2.347 -4.665 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.010 4.075 -4.388 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.366 2.946 -4.620 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.161 0.690 -2.893 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.856 1.222 -2.774 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.822 1.214 -1.326 1.00 0.00 H new ATOM 855 N HIS A 55 7.357 5.855 -3.325 1.00 0.00 N ATOM 856 CA HIS A 55 6.953 7.213 -3.672 1.00 0.00 C ATOM 857 C HIS A 55 6.259 7.242 -5.031 1.00 0.00 C ATOM 858 O HIS A 55 6.583 6.455 -5.922 1.00 0.00 O ATOM 859 CB HIS A 55 8.169 8.141 -3.687 1.00 0.00 C ATOM 860 CG HIS A 55 8.656 8.512 -2.321 1.00 0.00 C ATOM 861 ND1 HIS A 55 8.466 9.760 -1.766 1.00 0.00 N ATOM 862 CD2 HIS A 55 9.327 7.788 -1.394 1.00 0.00 C ATOM 863 CE1 HIS A 55 9.001 9.789 -0.559 1.00 0.00 C ATOM 864 NE2 HIS A 55 9.531 8.605 -0.309 1.00 0.00 N ATOM 0 H HIS A 55 8.041 5.443 -3.960 1.00 0.00 H new ATOM 0 HA HIS A 55 6.249 7.561 -2.916 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.978 7.657 -4.233 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.915 9.050 -4.233 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.643 6.760 -1.490 1.00 0.00 H new ATOM 0 HE1 HIS A 55 9.005 10.637 0.110 1.00 0.00 H new ATOM 0 HE2 HIS A 55 10.013 8.341 0.550 1.00 0.00 H new ATOM 872 N PHE A 56 5.304 8.153 -5.183 1.00 0.00 N ATOM 873 CA PHE A 56 4.563 8.283 -6.432 1.00 0.00 C ATOM 874 C PHE A 56 4.735 9.680 -7.022 1.00 0.00 C ATOM 875 O PHE A 56 4.999 10.641 -6.302 1.00 0.00 O ATOM 876 CB PHE A 56 3.079 7.993 -6.203 1.00 0.00 C ATOM 877 CG PHE A 56 2.755 6.527 -6.163 1.00 0.00 C ATOM 878 CD1 PHE A 56 3.022 5.774 -5.032 1.00 0.00 C ATOM 879 CD2 PHE A 56 2.181 5.902 -7.260 1.00 0.00 C ATOM 880 CE1 PHE A 56 2.724 4.425 -4.993 1.00 0.00 C ATOM 881 CE2 PHE A 56 1.880 4.554 -7.226 1.00 0.00 C ATOM 882 CZ PHE A 56 2.153 3.814 -6.092 1.00 0.00 C ATOM 0 H PHE A 56 5.025 8.812 -4.457 1.00 0.00 H new ATOM 0 HA PHE A 56 4.962 7.556 -7.140 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.768 8.452 -5.264 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.498 8.464 -6.996 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.469 6.247 -4.170 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.967 6.475 -8.150 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.937 3.850 -4.104 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.431 4.079 -8.086 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.920 2.760 -6.065 1.00 0.00 H new ATOM 892 N GLU A 57 4.582 9.782 -8.339 1.00 0.00 N ATOM 893 CA GLU A 57 4.721 11.061 -9.027 1.00 0.00 C ATOM 894 C GLU A 57 3.780 12.104 -8.431 1.00 0.00 C ATOM 895 O GLU A 57 4.043 13.305 -8.501 1.00 0.00 O ATOM 896 CB GLU A 57 4.435 10.895 -10.521 1.00 0.00 C ATOM 897 CG GLU A 57 5.640 11.171 -11.405 1.00 0.00 C ATOM 898 CD GLU A 57 5.849 12.651 -11.661 1.00 0.00 C ATOM 899 OE1 GLU A 57 4.949 13.445 -11.314 1.00 0.00 O ATOM 900 OE2 GLU A 57 6.910 13.015 -12.209 1.00 0.00 O ATOM 0 H GLU A 57 4.362 8.996 -8.950 1.00 0.00 H new ATOM 0 HA GLU A 57 5.747 11.405 -8.897 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.085 9.879 -10.705 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.625 11.567 -10.804 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.533 10.758 -10.935 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.513 10.656 -12.357 1.00 0.00 H new ATOM 907 N ASP A 58 2.683 11.637 -7.845 1.00 0.00 N ATOM 908 CA ASP A 58 1.703 12.529 -7.236 1.00 0.00 C ATOM 909 C ASP A 58 0.766 11.756 -6.313 1.00 0.00 C ATOM 910 O ASP A 58 0.998 10.585 -6.015 1.00 0.00 O ATOM 911 CB ASP A 58 0.895 13.248 -8.318 1.00 0.00 C ATOM 912 CG ASP A 58 0.949 14.756 -8.174 1.00 0.00 C ATOM 913 OD1 ASP A 58 0.102 15.313 -7.445 1.00 0.00 O ATOM 914 OD2 ASP A 58 1.839 15.379 -8.790 1.00 0.00 O ATOM 0 H ASP A 58 2.450 10.646 -7.779 1.00 0.00 H new ATOM 0 HA ASP A 58 2.240 13.269 -6.643 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.276 12.966 -9.300 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.143 12.918 -8.272 1.00 0.00 H new ATOM 919 N ARG A 59 -0.294 12.421 -5.862 1.00 0.00 N ATOM 920 CA ARG A 59 -1.265 11.799 -4.971 1.00 0.00 C ATOM 921 C ARG A 59 -2.232 10.915 -5.753 1.00 0.00 C ATOM 922 O ARG A 59 -2.534 9.794 -5.345 1.00 0.00 O ATOM 923 CB ARG A 59 -2.041 12.868 -4.201 1.00 0.00 C ATOM 924 CG ARG A 59 -3.185 12.309 -3.371 1.00 0.00 C ATOM 925 CD ARG A 59 -4.510 12.405 -4.112 1.00 0.00 C ATOM 926 NE ARG A 59 -5.009 13.776 -4.165 1.00 0.00 N ATOM 927 CZ ARG A 59 -6.252 14.092 -4.511 1.00 0.00 C ATOM 928 NH1 ARG A 59 -7.118 13.140 -4.832 1.00 0.00 N ATOM 929 NH2 ARG A 59 -6.633 15.364 -4.536 1.00 0.00 N ATOM 0 H ARG A 59 -0.501 13.391 -6.100 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.722 11.174 -4.262 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.354 13.402 -3.545 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.438 13.597 -4.908 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.981 11.268 -3.122 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.253 12.854 -2.430 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.387 12.025 -5.126 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.247 11.770 -3.621 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.369 14.532 -3.923 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.830 12.162 -4.814 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.072 13.386 -5.097 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.971 16.100 -4.289 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.588 15.605 -4.802 1.00 0.00 H new ATOM 943 N GLY A 60 -2.716 11.428 -6.880 1.00 0.00 N ATOM 944 CA GLY A 60 -3.644 10.674 -7.701 1.00 0.00 C ATOM 945 C GLY A 60 -3.116 9.299 -8.059 1.00 0.00 C ATOM 946 O GLY A 60 -3.889 8.360 -8.248 1.00 0.00 O ATOM 0 H GLY A 60 -2.481 12.353 -7.239 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.591 10.570 -7.171 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.850 11.230 -8.616 1.00 0.00 H new ATOM 950 N ALA A 61 -1.796 9.180 -8.155 1.00 0.00 N ATOM 951 CA ALA A 61 -1.165 7.911 -8.493 1.00 0.00 C ATOM 952 C ALA A 61 -1.043 7.014 -7.265 1.00 0.00 C ATOM 953 O ALA A 61 -0.989 5.791 -7.381 1.00 0.00 O ATOM 954 CB ALA A 61 0.204 8.150 -9.113 1.00 0.00 C ATOM 0 H ALA A 61 -1.142 9.948 -8.003 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.797 7.402 -9.221 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.663 7.193 -9.360 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.094 8.745 -10.020 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.837 8.684 -8.404 1.00 0.00 H new ATOM 960 N ALA A 62 -0.998 7.632 -6.089 1.00 0.00 N ATOM 961 CA ALA A 62 -0.883 6.890 -4.840 1.00 0.00 C ATOM 962 C ALA A 62 -2.243 6.377 -4.379 1.00 0.00 C ATOM 963 O ALA A 62 -2.393 5.201 -4.045 1.00 0.00 O ATOM 964 CB ALA A 62 -0.255 7.763 -3.764 1.00 0.00 C ATOM 0 H ALA A 62 -1.039 8.645 -5.976 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.239 6.028 -5.016 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.175 7.196 -2.836 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.739 8.077 -4.084 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.878 8.642 -3.599 1.00 0.00 H new ATOM 970 N VAL A 63 -3.231 7.265 -4.363 1.00 0.00 N ATOM 971 CA VAL A 63 -4.579 6.901 -3.943 1.00 0.00 C ATOM 972 C VAL A 63 -5.159 5.814 -4.842 1.00 0.00 C ATOM 973 O VAL A 63 -5.618 4.776 -4.362 1.00 0.00 O ATOM 974 CB VAL A 63 -5.521 8.120 -3.959 1.00 0.00 C ATOM 975 CG1 VAL A 63 -6.926 7.715 -3.543 1.00 0.00 C ATOM 976 CG2 VAL A 63 -4.983 9.218 -3.052 1.00 0.00 C ATOM 0 H VAL A 63 -3.124 8.242 -4.636 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.502 6.524 -2.923 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.568 8.509 -4.976 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.577 8.589 -3.560 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.308 6.964 -4.235 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.902 7.301 -2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.660 10.072 -3.074 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.906 8.842 -2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.997 9.527 -3.400 1.00 0.00 H new ATOM 986 N LYS A 64 -5.137 6.058 -6.148 1.00 0.00 N ATOM 987 CA LYS A 64 -5.658 5.100 -7.115 1.00 0.00 C ATOM 988 C LYS A 64 -4.983 3.743 -6.955 1.00 0.00 C ATOM 989 O LYS A 64 -5.556 2.709 -7.296 1.00 0.00 O ATOM 990 CB LYS A 64 -5.454 5.620 -8.540 1.00 0.00 C ATOM 991 CG LYS A 64 -6.212 4.829 -9.590 1.00 0.00 C ATOM 992 CD LYS A 64 -5.271 4.011 -10.459 1.00 0.00 C ATOM 993 CE LYS A 64 -6.035 3.034 -11.342 1.00 0.00 C ATOM 994 NZ LYS A 64 -5.388 2.867 -12.672 1.00 0.00 N ATOM 0 H LYS A 64 -4.763 6.912 -6.561 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.725 4.978 -6.929 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.768 6.663 -8.586 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.390 5.597 -8.777 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.927 4.166 -9.102 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.787 5.511 -10.216 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.677 4.679 -11.083 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.574 3.462 -9.826 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.097 2.066 -10.844 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.057 3.389 -11.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.938 2.194 -13.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.352 3.786 -13.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.422 2.504 -12.545 1.00 0.00 H new ATOM 1008 N ALA A 65 -3.760 3.753 -6.434 1.00 0.00 N ATOM 1009 CA ALA A 65 -3.007 2.522 -6.226 1.00 0.00 C ATOM 1010 C ALA A 65 -3.404 1.851 -4.916 1.00 0.00 C ATOM 1011 O ALA A 65 -3.979 0.763 -4.914 1.00 0.00 O ATOM 1012 CB ALA A 65 -1.513 2.808 -6.244 1.00 0.00 C ATOM 0 H ALA A 65 -3.270 4.600 -6.148 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.244 1.838 -7.041 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.963 1.880 -6.087 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.236 3.236 -7.207 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.268 3.513 -5.450 1.00 0.00 H new ATOM 1018 N MET A 66 -3.092 2.507 -3.802 1.00 0.00 N ATOM 1019 CA MET A 66 -3.416 1.973 -2.484 1.00 0.00 C ATOM 1020 C MET A 66 -4.893 1.596 -2.400 1.00 0.00 C ATOM 1021 O MET A 66 -5.267 0.679 -1.669 1.00 0.00 O ATOM 1022 CB MET A 66 -3.076 2.995 -1.399 1.00 0.00 C ATOM 1023 CG MET A 66 -3.540 2.584 -0.010 1.00 0.00 C ATOM 1024 SD MET A 66 -5.063 3.412 0.486 1.00 0.00 S ATOM 1025 CE MET A 66 -4.452 5.056 0.849 1.00 0.00 C ATOM 0 H MET A 66 -2.615 3.409 -3.786 1.00 0.00 H new ATOM 0 HA MET A 66 -2.820 1.075 -2.326 1.00 0.00 H new ATOM 0 HB2 MET A 66 -1.997 3.149 -1.382 1.00 0.00 H new ATOM 0 HB3 MET A 66 -3.531 3.951 -1.657 1.00 0.00 H new ATOM 0 HG2 MET A 66 -3.693 1.505 0.013 1.00 0.00 H new ATOM 0 HG3 MET A 66 -2.756 2.810 0.713 1.00 0.00 H new ATOM 0 HE1 MET A 66 -5.230 5.630 1.352 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.578 4.985 1.496 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.176 5.555 -0.080 1.00 0.00 H new ATOM 1035 N ASP A 67 -5.725 2.310 -3.149 1.00 0.00 N ATOM 1036 CA ASP A 67 -7.159 2.050 -3.159 1.00 0.00 C ATOM 1037 C ASP A 67 -7.443 0.577 -3.438 1.00 0.00 C ATOM 1038 O ASP A 67 -8.239 -0.053 -2.743 1.00 0.00 O ATOM 1039 CB ASP A 67 -7.851 2.922 -4.208 1.00 0.00 C ATOM 1040 CG ASP A 67 -8.388 4.214 -3.624 1.00 0.00 C ATOM 1041 OD1 ASP A 67 -7.952 4.589 -2.515 1.00 0.00 O ATOM 1042 OD2 ASP A 67 -9.243 4.849 -4.276 1.00 0.00 O ATOM 0 H ASP A 67 -5.431 3.074 -3.758 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.554 2.298 -2.174 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.146 3.153 -5.007 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.671 2.362 -4.658 1.00 0.00 H new ATOM 1047 N GLU A 68 -6.786 0.036 -4.459 1.00 0.00 N ATOM 1048 CA GLU A 68 -6.970 -1.363 -4.830 1.00 0.00 C ATOM 1049 C GLU A 68 -5.944 -2.250 -4.132 1.00 0.00 C ATOM 1050 O GLU A 68 -6.274 -3.324 -3.632 1.00 0.00 O ATOM 1051 CB GLU A 68 -6.858 -1.530 -6.347 1.00 0.00 C ATOM 1052 CG GLU A 68 -7.894 -0.736 -7.125 1.00 0.00 C ATOM 1053 CD GLU A 68 -8.311 -1.425 -8.410 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -8.676 -2.618 -8.351 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -8.274 -0.772 -9.473 1.00 0.00 O ATOM 0 H GLU A 68 -6.122 0.544 -5.044 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.966 -1.669 -4.511 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.862 -1.222 -6.665 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.960 -2.586 -6.596 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.772 -0.580 -6.499 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.491 0.249 -7.359 1.00 0.00 H new ATOM 1062 N MET A 69 -4.696 -1.791 -4.103 1.00 0.00 N ATOM 1063 CA MET A 69 -3.621 -2.543 -3.466 1.00 0.00 C ATOM 1064 C MET A 69 -4.001 -2.935 -2.042 1.00 0.00 C ATOM 1065 O MET A 69 -3.754 -4.060 -1.611 1.00 0.00 O ATOM 1066 CB MET A 69 -2.332 -1.720 -3.454 1.00 0.00 C ATOM 1067 CG MET A 69 -1.834 -1.350 -4.842 1.00 0.00 C ATOM 1068 SD MET A 69 -0.418 -2.340 -5.358 1.00 0.00 S ATOM 1069 CE MET A 69 -1.020 -3.994 -5.021 1.00 0.00 C ATOM 0 H MET A 69 -4.405 -0.903 -4.513 1.00 0.00 H new ATOM 0 HA MET A 69 -3.457 -3.453 -4.043 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.499 -0.808 -2.882 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.556 -2.284 -2.937 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.644 -1.478 -5.561 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.560 -0.295 -4.856 1.00 0.00 H new ATOM 0 HE1 MET A 69 -0.353 -4.724 -5.480 1.00 0.00 H new ATOM 0 HE2 MET A 69 -1.051 -4.157 -3.944 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.022 -4.108 -5.434 1.00 0.00 H new ATOM 1079 N ASN A 70 -4.604 -1.999 -1.317 1.00 0.00 N ATOM 1080 CA ASN A 70 -5.018 -2.246 0.059 1.00 0.00 C ATOM 1081 C ASN A 70 -5.878 -3.503 0.152 1.00 0.00 C ATOM 1082 O ASN A 70 -6.988 -3.548 -0.376 1.00 0.00 O ATOM 1083 CB ASN A 70 -5.791 -1.044 0.606 1.00 0.00 C ATOM 1084 CG ASN A 70 -6.575 -1.383 1.859 1.00 0.00 C ATOM 1085 OD1 ASN A 70 -7.802 -1.480 1.829 1.00 0.00 O ATOM 1086 ND2 ASN A 70 -5.869 -1.564 2.969 1.00 0.00 N ATOM 0 H ASN A 70 -4.817 -1.062 -1.660 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.121 -2.396 0.660 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.093 -0.236 0.825 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.475 -0.676 -0.159 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.342 -1.793 3.843 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.853 -1.474 2.948 1.00 0.00 H new ATOM 1093 N GLY A 71 -5.357 -4.523 0.827 1.00 0.00 N ATOM 1094 CA GLY A 71 -6.091 -5.766 0.976 1.00 0.00 C ATOM 1095 C GLY A 71 -5.877 -6.709 -0.191 1.00 0.00 C ATOM 1096 O GLY A 71 -6.824 -7.320 -0.687 1.00 0.00 O ATOM 0 H GLY A 71 -4.440 -4.511 1.273 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.782 -6.258 1.898 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.154 -5.547 1.072 1.00 0.00 H new ATOM 1100 N LYS A 72 -4.629 -6.827 -0.633 1.00 0.00 N ATOM 1101 CA LYS A 72 -4.293 -7.702 -1.750 1.00 0.00 C ATOM 1102 C LYS A 72 -3.472 -8.898 -1.277 1.00 0.00 C ATOM 1103 O LYS A 72 -3.041 -8.949 -0.125 1.00 0.00 O ATOM 1104 CB LYS A 72 -3.516 -6.927 -2.816 1.00 0.00 C ATOM 1105 CG LYS A 72 -4.406 -6.219 -3.823 1.00 0.00 C ATOM 1106 CD LYS A 72 -5.101 -7.207 -4.744 1.00 0.00 C ATOM 1107 CE LYS A 72 -4.310 -7.426 -6.026 1.00 0.00 C ATOM 1108 NZ LYS A 72 -4.955 -8.435 -6.910 1.00 0.00 N ATOM 0 H LYS A 72 -3.834 -6.328 -0.235 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.223 -8.070 -2.183 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.879 -6.191 -2.326 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.858 -7.615 -3.346 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.152 -5.625 -3.296 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.808 -5.527 -4.415 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.230 -8.158 -4.228 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.098 -6.839 -4.988 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.217 -6.481 -6.561 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.300 -7.753 -5.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.386 -8.556 -7.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.021 -9.344 -6.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.909 -8.111 -7.168 1.00 0.00 H new ATOM 1122 N GLU A 73 -3.261 -9.857 -2.173 1.00 0.00 N ATOM 1123 CA GLU A 73 -2.491 -11.051 -1.846 1.00 0.00 C ATOM 1124 C GLU A 73 -1.224 -11.131 -2.692 1.00 0.00 C ATOM 1125 O GLU A 73 -1.244 -11.643 -3.812 1.00 0.00 O ATOM 1126 CB GLU A 73 -3.339 -12.306 -2.059 1.00 0.00 C ATOM 1127 CG GLU A 73 -2.552 -13.600 -1.943 1.00 0.00 C ATOM 1128 CD GLU A 73 -3.431 -14.830 -2.065 1.00 0.00 C ATOM 1129 OE1 GLU A 73 -4.111 -15.176 -1.077 1.00 0.00 O ATOM 1130 OE2 GLU A 73 -3.435 -15.449 -3.151 1.00 0.00 O ATOM 0 H GLU A 73 -3.612 -9.830 -3.130 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.203 -10.989 -0.797 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.148 -12.316 -1.328 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.801 -12.259 -3.045 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.787 -13.626 -2.719 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.034 -13.621 -0.984 1.00 0.00 H new ATOM 1137 N ILE A 74 -0.124 -10.620 -2.150 1.00 0.00 N ATOM 1138 CA ILE A 74 1.152 -10.635 -2.854 1.00 0.00 C ATOM 1139 C ILE A 74 2.019 -11.803 -2.399 1.00 0.00 C ATOM 1140 O ILE A 74 2.289 -11.961 -1.209 1.00 0.00 O ATOM 1141 CB ILE A 74 1.928 -9.321 -2.640 1.00 0.00 C ATOM 1142 CG1 ILE A 74 1.071 -8.123 -3.056 1.00 0.00 C ATOM 1143 CG2 ILE A 74 3.232 -9.343 -3.423 1.00 0.00 C ATOM 1144 CD1 ILE A 74 1.704 -6.787 -2.737 1.00 0.00 C ATOM 0 H ILE A 74 -0.091 -10.190 -1.225 1.00 0.00 H new ATOM 0 HA ILE A 74 0.925 -10.746 -3.914 1.00 0.00 H new ATOM 0 HB ILE A 74 2.164 -9.224 -1.580 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.879 -8.178 -4.128 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.105 -8.187 -2.556 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.769 -8.408 -3.262 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.846 -10.177 -3.084 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.017 -9.459 -4.485 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.041 -5.984 -3.059 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.871 -6.711 -1.663 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.657 -6.702 -3.259 1.00 0.00 H new ATOM 1156 N GLU A 75 2.453 -12.619 -3.355 1.00 0.00 N ATOM 1157 CA GLU A 75 3.290 -13.772 -3.052 1.00 0.00 C ATOM 1158 C GLU A 75 2.638 -14.655 -1.992 1.00 0.00 C ATOM 1159 O GLU A 75 3.322 -15.341 -1.233 1.00 0.00 O ATOM 1160 CB GLU A 75 4.671 -13.317 -2.574 1.00 0.00 C ATOM 1161 CG GLU A 75 5.819 -14.078 -3.214 1.00 0.00 C ATOM 1162 CD GLU A 75 6.022 -13.708 -4.671 1.00 0.00 C ATOM 1163 OE1 GLU A 75 5.147 -14.043 -5.496 1.00 0.00 O ATOM 1164 OE2 GLU A 75 7.057 -13.084 -4.986 1.00 0.00 O ATOM 0 H GLU A 75 2.238 -12.502 -4.345 1.00 0.00 H new ATOM 0 HA GLU A 75 3.404 -14.355 -3.966 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.788 -12.254 -2.787 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.728 -13.434 -1.492 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.736 -13.878 -2.661 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.628 -15.148 -3.138 1.00 0.00 H new ATOM 1171 N GLY A 76 1.310 -14.631 -1.946 1.00 0.00 N ATOM 1172 CA GLY A 76 0.586 -15.431 -0.976 1.00 0.00 C ATOM 1173 C GLY A 76 0.774 -14.933 0.443 1.00 0.00 C ATOM 1174 O GLY A 76 0.680 -15.705 1.397 1.00 0.00 O ATOM 0 H GLY A 76 0.722 -14.071 -2.564 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.476 -15.423 -1.223 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.920 -16.466 -1.042 1.00 0.00 H new ATOM 1178 N GLU A 77 1.043 -13.639 0.583 1.00 0.00 N ATOM 1179 CA GLU A 77 1.248 -13.040 1.897 1.00 0.00 C ATOM 1180 C GLU A 77 0.340 -11.828 2.089 1.00 0.00 C ATOM 1181 O GLU A 77 0.414 -10.859 1.333 1.00 0.00 O ATOM 1182 CB GLU A 77 2.711 -12.628 2.071 1.00 0.00 C ATOM 1183 CG GLU A 77 3.652 -13.801 2.289 1.00 0.00 C ATOM 1184 CD GLU A 77 4.072 -13.950 3.739 1.00 0.00 C ATOM 1185 OE1 GLU A 77 3.353 -13.440 4.621 1.00 0.00 O ATOM 1186 OE2 GLU A 77 5.122 -14.580 3.989 1.00 0.00 O ATOM 0 H GLU A 77 1.124 -12.986 -0.196 1.00 0.00 H new ATOM 0 HA GLU A 77 0.996 -13.785 2.652 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.031 -12.075 1.188 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.790 -11.948 2.919 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.165 -14.719 1.959 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.539 -13.671 1.669 1.00 0.00 H new ATOM 1193 N GLU A 78 -0.514 -11.890 3.106 1.00 0.00 N ATOM 1194 CA GLU A 78 -1.436 -10.798 3.397 1.00 0.00 C ATOM 1195 C GLU A 78 -0.686 -9.477 3.538 1.00 0.00 C ATOM 1196 O GLU A 78 0.061 -9.273 4.495 1.00 0.00 O ATOM 1197 CB GLU A 78 -2.220 -11.092 4.678 1.00 0.00 C ATOM 1198 CG GLU A 78 -3.169 -12.272 4.553 1.00 0.00 C ATOM 1199 CD GLU A 78 -4.615 -11.885 4.793 1.00 0.00 C ATOM 1200 OE1 GLU A 78 -4.915 -11.354 5.883 1.00 0.00 O ATOM 1201 OE2 GLU A 78 -5.448 -12.114 3.891 1.00 0.00 O ATOM 0 H GLU A 78 -0.587 -12.684 3.742 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.134 -10.712 2.564 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.517 -11.286 5.488 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.790 -10.206 4.957 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.073 -12.707 3.558 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.880 -13.043 5.267 1.00 0.00 H new ATOM 1208 N ILE A 79 -0.892 -8.583 2.576 1.00 0.00 N ATOM 1209 CA ILE A 79 -0.237 -7.279 2.593 1.00 0.00 C ATOM 1210 C ILE A 79 -1.208 -6.182 3.013 1.00 0.00 C ATOM 1211 O ILE A 79 -2.360 -6.160 2.581 1.00 0.00 O ATOM 1212 CB ILE A 79 0.352 -6.928 1.214 1.00 0.00 C ATOM 1213 CG1 ILE A 79 -0.759 -6.844 0.166 1.00 0.00 C ATOM 1214 CG2 ILE A 79 1.395 -7.959 0.806 1.00 0.00 C ATOM 1215 CD1 ILE A 79 -1.038 -5.435 -0.308 1.00 0.00 C ATOM 0 H ILE A 79 -1.506 -8.737 1.776 1.00 0.00 H new ATOM 0 HA ILE A 79 0.573 -7.341 3.320 1.00 0.00 H new ATOM 0 HB ILE A 79 0.837 -5.954 1.280 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.486 -7.460 -0.691 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.673 -7.266 0.583 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.802 -7.698 -0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.199 -7.974 1.542 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.932 -8.944 0.754 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.837 -5.452 -1.050 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.342 -4.820 0.539 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.136 -5.016 -0.755 1.00 0.00 H new ATOM 1227 N GLU A 80 -0.733 -5.271 3.857 1.00 0.00 N ATOM 1228 CA GLU A 80 -1.561 -4.168 4.333 1.00 0.00 C ATOM 1229 C GLU A 80 -0.995 -2.826 3.878 1.00 0.00 C ATOM 1230 O GLU A 80 0.210 -2.691 3.661 1.00 0.00 O ATOM 1231 CB GLU A 80 -1.660 -4.200 5.860 1.00 0.00 C ATOM 1232 CG GLU A 80 -3.021 -3.779 6.391 1.00 0.00 C ATOM 1233 CD GLU A 80 -3.702 -4.877 7.184 1.00 0.00 C ATOM 1234 OE1 GLU A 80 -3.930 -5.966 6.617 1.00 0.00 O ATOM 1235 OE2 GLU A 80 -4.007 -4.646 8.374 1.00 0.00 O ATOM 0 H GLU A 80 0.218 -5.275 4.225 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.558 -4.285 3.907 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.439 -5.209 6.209 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.897 -3.544 6.279 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.904 -2.899 7.023 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.659 -3.490 5.556 1.00 0.00 H new ATOM 1242 N ILE A 81 -1.872 -1.839 3.734 1.00 0.00 N ATOM 1243 CA ILE A 81 -1.461 -0.509 3.304 1.00 0.00 C ATOM 1244 C ILE A 81 -2.245 0.574 4.039 1.00 0.00 C ATOM 1245 O ILE A 81 -3.447 0.437 4.268 1.00 0.00 O ATOM 1246 CB ILE A 81 -1.650 -0.323 1.788 1.00 0.00 C ATOM 1247 CG1 ILE A 81 -1.033 -1.499 1.027 1.00 0.00 C ATOM 1248 CG2 ILE A 81 -1.033 0.992 1.334 1.00 0.00 C ATOM 1249 CD1 ILE A 81 -1.206 -1.405 -0.473 1.00 0.00 C ATOM 0 H ILE A 81 -2.872 -1.935 3.909 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.402 -0.414 3.544 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.718 -0.294 1.571 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.031 -1.554 1.259 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.484 -2.426 1.379 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.175 1.109 0.260 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.515 1.819 1.856 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.033 0.991 1.561 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.745 -2.271 -0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.268 -1.381 -0.716 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.730 -0.495 -0.838 1.00 0.00 H new ATOM 1261 N VAL A 82 -1.557 1.649 4.407 1.00 0.00 N ATOM 1262 CA VAL A 82 -2.188 2.757 5.114 1.00 0.00 C ATOM 1263 C VAL A 82 -1.602 4.095 4.676 1.00 0.00 C ATOM 1264 O VAL A 82 -0.694 4.144 3.844 1.00 0.00 O ATOM 1265 CB VAL A 82 -2.028 2.614 6.639 1.00 0.00 C ATOM 1266 CG1 VAL A 82 -2.703 1.342 7.130 1.00 0.00 C ATOM 1267 CG2 VAL A 82 -0.556 2.628 7.024 1.00 0.00 C ATOM 0 H VAL A 82 -0.561 1.777 4.227 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.248 2.729 4.863 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.514 3.464 7.119 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.579 1.258 8.210 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.765 1.377 6.888 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.249 0.478 6.645 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.462 2.526 8.105 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.044 1.799 6.535 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.106 3.569 6.708 1.00 0.00 H new ATOM 1277 N LEU A 83 -2.126 5.177 5.240 1.00 0.00 N ATOM 1278 CA LEU A 83 -1.654 6.516 4.908 1.00 0.00 C ATOM 1279 C LEU A 83 -0.595 6.982 5.901 1.00 0.00 C ATOM 1280 O LEU A 83 -0.873 7.149 7.088 1.00 0.00 O ATOM 1281 CB LEU A 83 -2.825 7.502 4.894 1.00 0.00 C ATOM 1282 CG LEU A 83 -3.881 7.275 3.812 1.00 0.00 C ATOM 1283 CD1 LEU A 83 -5.251 7.717 4.302 1.00 0.00 C ATOM 1284 CD2 LEU A 83 -3.504 8.015 2.536 1.00 0.00 C ATOM 0 H LEU A 83 -2.878 5.153 5.929 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.204 6.480 3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.316 7.465 5.866 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.425 8.509 4.777 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.924 6.209 3.591 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.990 7.548 3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.523 7.143 5.188 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.223 8.778 4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.267 7.842 1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.432 9.083 2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.543 7.650 2.174 1.00 0.00 H new ATOM 1296 N ALA A 84 0.621 7.193 5.406 1.00 0.00 N ATOM 1297 CA ALA A 84 1.722 7.643 6.248 1.00 0.00 C ATOM 1298 C ALA A 84 1.770 9.166 6.319 1.00 0.00 C ATOM 1299 O ALA A 84 1.231 9.856 5.455 1.00 0.00 O ATOM 1300 CB ALA A 84 3.042 7.094 5.730 1.00 0.00 C ATOM 0 H ALA A 84 0.868 7.059 4.425 1.00 0.00 H new ATOM 0 HA ALA A 84 1.555 7.263 7.256 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.855 7.439 6.369 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.011 6.004 5.738 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.207 7.445 4.711 1.00 0.00 H new