USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=11 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= -0.133 X(o=-0.13,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 153:sc= 0.171 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.234 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.469 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+ 142:sc= 0.604 (180deg=0.0396) USER MOD Single : A 49 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0628) USER MOD Single : A 51 TYR OH : rot 180:sc=-0.00567 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 170:sc=-0.00607 (180deg=-0.101) USER MOD Single : A 66 MET CE :methyl -122:sc= -1.19 (180deg=-4.9!) USER MOD Single : A 69 MET CE :methyl 174:sc= -1.39 (180deg=-1.5) USER MOD Single : A 70 ASN : amide:sc=-0.00365 X(o=-0.0036,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 210 N VAL A 17 2.609 9.422 0.246 1.00 0.00 N ATOM 211 CA VAL A 17 3.435 8.263 0.564 1.00 0.00 C ATOM 212 C VAL A 17 2.599 7.145 1.177 1.00 0.00 C ATOM 213 O VAL A 17 2.002 7.314 2.242 1.00 0.00 O ATOM 214 CB VAL A 17 4.570 8.633 1.536 1.00 0.00 C ATOM 215 CG1 VAL A 17 5.477 7.436 1.779 1.00 0.00 C ATOM 216 CG2 VAL A 17 5.364 9.816 1.002 1.00 0.00 C ATOM 0 HA VAL A 17 3.869 7.916 -0.374 1.00 0.00 H new ATOM 0 HB VAL A 17 4.129 8.922 2.490 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.273 7.717 2.468 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.896 6.620 2.209 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.913 7.112 0.834 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.162 10.064 1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.796 9.558 0.035 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.703 10.675 0.886 1.00 0.00 H new ATOM 226 N LEU A 18 2.560 6.004 0.499 1.00 0.00 N ATOM 227 CA LEU A 18 1.797 4.856 0.977 1.00 0.00 C ATOM 228 C LEU A 18 2.658 3.962 1.865 1.00 0.00 C ATOM 229 O LEU A 18 3.737 3.527 1.464 1.00 0.00 O ATOM 230 CB LEU A 18 1.256 4.050 -0.205 1.00 0.00 C ATOM 231 CG LEU A 18 0.584 4.857 -1.316 1.00 0.00 C ATOM 232 CD1 LEU A 18 0.244 3.962 -2.496 1.00 0.00 C ATOM 233 CD2 LEU A 18 -0.667 5.549 -0.792 1.00 0.00 C ATOM 0 H LEU A 18 3.048 5.849 -0.383 1.00 0.00 H new ATOM 0 HA LEU A 18 0.960 5.228 1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.080 3.485 -0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.537 3.324 0.175 1.00 0.00 H new ATOM 0 HG LEU A 18 1.283 5.621 -1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.234 4.555 -3.276 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.157 3.514 -2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.436 3.174 -2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.132 6.119 -1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.369 4.801 -0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.396 6.223 0.020 1.00 0.00 H new ATOM 245 N PHE A 19 2.171 3.690 3.071 1.00 0.00 N ATOM 246 CA PHE A 19 2.894 2.847 4.016 1.00 0.00 C ATOM 247 C PHE A 19 2.442 1.394 3.904 1.00 0.00 C ATOM 248 O PHE A 19 1.416 1.006 4.462 1.00 0.00 O ATOM 249 CB PHE A 19 2.684 3.350 5.446 1.00 0.00 C ATOM 250 CG PHE A 19 3.727 2.863 6.411 1.00 0.00 C ATOM 251 CD1 PHE A 19 5.070 3.126 6.192 1.00 0.00 C ATOM 252 CD2 PHE A 19 3.364 2.143 7.538 1.00 0.00 C ATOM 253 CE1 PHE A 19 6.031 2.680 7.078 1.00 0.00 C ATOM 254 CE2 PHE A 19 4.322 1.694 8.428 1.00 0.00 C ATOM 255 CZ PHE A 19 5.657 1.962 8.198 1.00 0.00 C ATOM 0 H PHE A 19 1.278 4.041 3.417 1.00 0.00 H new ATOM 0 HA PHE A 19 3.955 2.899 3.773 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.684 4.440 5.443 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.701 3.032 5.794 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.369 3.686 5.318 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.321 1.930 7.723 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.074 2.892 6.896 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.026 1.134 9.303 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.407 1.611 8.892 1.00 0.00 H new ATOM 265 N VAL A 20 3.217 0.594 3.178 1.00 0.00 N ATOM 266 CA VAL A 20 2.898 -0.817 2.992 1.00 0.00 C ATOM 267 C VAL A 20 3.541 -1.673 4.077 1.00 0.00 C ATOM 268 O VAL A 20 4.764 -1.796 4.141 1.00 0.00 O ATOM 269 CB VAL A 20 3.363 -1.320 1.613 1.00 0.00 C ATOM 270 CG1 VAL A 20 2.850 -2.730 1.359 1.00 0.00 C ATOM 271 CG2 VAL A 20 2.905 -0.371 0.517 1.00 0.00 C ATOM 0 H VAL A 20 4.070 0.899 2.709 1.00 0.00 H new ATOM 0 HA VAL A 20 1.814 -0.908 3.057 1.00 0.00 H new ATOM 0 HB VAL A 20 4.453 -1.348 1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.188 -3.069 0.380 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.233 -3.401 2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.760 -2.731 1.387 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.243 -0.742 -0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.817 -0.308 0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.327 0.619 0.693 1.00 0.00 H new ATOM 281 N ARG A 21 2.708 -2.263 4.929 1.00 0.00 N ATOM 282 CA ARG A 21 3.196 -3.108 6.013 1.00 0.00 C ATOM 283 C ARG A 21 2.957 -4.583 5.702 1.00 0.00 C ATOM 284 O ARG A 21 2.259 -4.920 4.746 1.00 0.00 O ATOM 285 CB ARG A 21 2.509 -2.734 7.327 1.00 0.00 C ATOM 286 CG ARG A 21 3.432 -2.061 8.329 1.00 0.00 C ATOM 287 CD ARG A 21 2.794 -1.975 9.706 1.00 0.00 C ATOM 288 NE ARG A 21 3.155 -3.112 10.548 1.00 0.00 N ATOM 289 CZ ARG A 21 3.067 -3.101 11.874 1.00 0.00 C ATOM 290 NH1 ARG A 21 2.631 -2.019 12.503 1.00 0.00 N ATOM 291 NH2 ARG A 21 3.415 -4.175 12.572 1.00 0.00 N ATOM 0 H ARG A 21 1.693 -2.171 4.890 1.00 0.00 H new ATOM 0 HA ARG A 21 4.269 -2.945 6.113 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.673 -2.069 7.113 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.092 -3.635 7.778 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.367 -2.618 8.394 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.681 -1.059 7.979 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.105 -1.050 10.192 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.710 -1.931 9.601 1.00 0.00 H new ATOM 0 HE ARG A 21 3.493 -3.961 10.094 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.362 -1.192 11.969 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.564 -2.013 13.521 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.750 -5.009 12.091 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.347 -4.166 13.590 1.00 0.00 H new ATOM 305 N ASN A 22 3.541 -5.456 6.515 1.00 0.00 N ATOM 306 CA ASN A 22 3.393 -6.894 6.327 1.00 0.00 C ATOM 307 C ASN A 22 3.824 -7.306 4.923 1.00 0.00 C ATOM 308 O ASN A 22 2.991 -7.654 4.083 1.00 0.00 O ATOM 309 CB ASN A 22 1.942 -7.315 6.571 1.00 0.00 C ATOM 310 CG ASN A 22 1.576 -7.301 8.043 1.00 0.00 C ATOM 311 OD1 ASN A 22 1.721 -8.306 8.739 1.00 0.00 O ATOM 312 ND2 ASN A 22 1.098 -6.159 8.524 1.00 0.00 N ATOM 0 H ASN A 22 4.122 -5.193 7.311 1.00 0.00 H new ATOM 0 HA ASN A 22 4.037 -7.398 7.048 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.276 -6.645 6.027 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.785 -8.316 6.170 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.834 -6.090 9.507 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.995 -5.351 7.910 1.00 0.00 H new ATOM 319 N LEU A 23 5.128 -7.264 4.674 1.00 0.00 N ATOM 320 CA LEU A 23 5.671 -7.633 3.371 1.00 0.00 C ATOM 321 C LEU A 23 6.297 -9.023 3.416 1.00 0.00 C ATOM 322 O LEU A 23 6.347 -9.658 4.469 1.00 0.00 O ATOM 323 CB LEU A 23 6.712 -6.607 2.920 1.00 0.00 C ATOM 324 CG LEU A 23 6.171 -5.382 2.182 1.00 0.00 C ATOM 325 CD1 LEU A 23 5.064 -4.718 2.988 1.00 0.00 C ATOM 326 CD2 LEU A 23 7.291 -4.392 1.897 1.00 0.00 C ATOM 0 H LEU A 23 5.829 -6.978 5.357 1.00 0.00 H new ATOM 0 HA LEU A 23 4.850 -7.647 2.654 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.260 -6.265 3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.430 -7.109 2.272 1.00 0.00 H new ATOM 0 HG LEU A 23 5.753 -5.711 1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.692 -3.848 2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.250 -5.427 3.141 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.457 -4.403 3.955 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.887 -3.527 1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.739 -4.069 2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.051 -4.870 1.278 1.00 0.00 H new ATOM 338 N ALA A 24 6.774 -9.489 2.267 1.00 0.00 N ATOM 339 CA ALA A 24 7.401 -10.802 2.176 1.00 0.00 C ATOM 340 C ALA A 24 8.917 -10.679 2.064 1.00 0.00 C ATOM 341 O ALA A 24 9.433 -9.723 1.485 1.00 0.00 O ATOM 342 CB ALA A 24 6.843 -11.572 0.989 1.00 0.00 C ATOM 0 H ALA A 24 6.738 -8.977 1.386 1.00 0.00 H new ATOM 0 HA ALA A 24 7.173 -11.351 3.090 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.320 -12.550 0.933 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.767 -11.699 1.111 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.041 -11.019 0.071 1.00 0.00 H new ATOM 348 N THR A 25 9.628 -11.655 2.622 1.00 0.00 N ATOM 349 CA THR A 25 11.084 -11.655 2.587 1.00 0.00 C ATOM 350 C THR A 25 11.603 -12.273 1.293 1.00 0.00 C ATOM 351 O THR A 25 12.714 -11.976 0.853 1.00 0.00 O ATOM 352 CB THR A 25 11.675 -12.426 3.783 1.00 0.00 C ATOM 353 OG1 THR A 25 11.180 -11.879 5.010 1.00 0.00 O ATOM 354 CG2 THR A 25 13.195 -12.362 3.770 1.00 0.00 C ATOM 0 H THR A 25 9.218 -12.455 3.103 1.00 0.00 H new ATOM 0 HA THR A 25 11.401 -10.614 2.643 1.00 0.00 H new ATOM 0 HB THR A 25 11.371 -13.469 3.701 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.559 -12.375 5.766 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.590 -12.913 4.624 1.00 0.00 H new ATOM 0 HG22 THR A 25 13.570 -12.805 2.847 1.00 0.00 H new ATOM 0 HG23 THR A 25 13.516 -11.322 3.830 1.00 0.00 H new ATOM 362 N THR A 26 10.791 -13.133 0.686 1.00 0.00 N ATOM 363 CA THR A 26 11.169 -13.793 -0.556 1.00 0.00 C ATOM 364 C THR A 26 11.123 -12.821 -1.731 1.00 0.00 C ATOM 365 O THR A 26 11.875 -12.961 -2.695 1.00 0.00 O ATOM 366 CB THR A 26 10.245 -14.988 -0.861 1.00 0.00 C ATOM 367 OG1 THR A 26 8.914 -14.706 -0.413 1.00 0.00 O ATOM 368 CG2 THR A 26 10.757 -16.252 -0.183 1.00 0.00 C ATOM 0 H THR A 26 9.867 -13.388 1.035 1.00 0.00 H new ATOM 0 HA THR A 26 12.189 -14.154 -0.424 1.00 0.00 H new ATOM 0 HB THR A 26 10.238 -15.149 -1.939 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.272 -15.210 -0.956 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.090 -17.083 -0.412 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.759 -16.480 -0.547 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.789 -16.099 0.896 1.00 0.00 H new ATOM 376 N VAL A 27 10.239 -11.832 -1.641 1.00 0.00 N ATOM 377 CA VAL A 27 10.098 -10.835 -2.695 1.00 0.00 C ATOM 378 C VAL A 27 11.262 -9.850 -2.678 1.00 0.00 C ATOM 379 O VAL A 27 11.977 -9.734 -1.684 1.00 0.00 O ATOM 380 CB VAL A 27 8.777 -10.055 -2.557 1.00 0.00 C ATOM 381 CG1 VAL A 27 7.593 -11.009 -2.547 1.00 0.00 C ATOM 382 CG2 VAL A 27 8.793 -9.198 -1.300 1.00 0.00 C ATOM 0 H VAL A 27 9.610 -11.700 -0.849 1.00 0.00 H new ATOM 0 HA VAL A 27 10.095 -11.374 -3.643 1.00 0.00 H new ATOM 0 HB VAL A 27 8.673 -9.394 -3.418 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.668 -10.440 -2.449 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.574 -11.575 -3.478 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.687 -11.697 -1.707 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.852 -8.654 -1.219 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.920 -9.837 -0.426 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.619 -8.489 -1.354 1.00 0.00 H new ATOM 392 N THR A 28 11.444 -9.141 -3.787 1.00 0.00 N ATOM 393 CA THR A 28 12.521 -8.165 -3.901 1.00 0.00 C ATOM 394 C THR A 28 11.983 -6.795 -4.300 1.00 0.00 C ATOM 395 O THR A 28 10.852 -6.676 -4.770 1.00 0.00 O ATOM 396 CB THR A 28 13.576 -8.609 -4.932 1.00 0.00 C ATOM 397 OG1 THR A 28 14.641 -7.655 -4.986 1.00 0.00 O ATOM 398 CG2 THR A 28 12.954 -8.760 -6.312 1.00 0.00 C ATOM 0 H THR A 28 10.860 -9.224 -4.619 1.00 0.00 H new ATOM 0 HA THR A 28 12.989 -8.097 -2.919 1.00 0.00 H new ATOM 0 HB THR A 28 13.971 -9.576 -4.620 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.308 -7.946 -5.643 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.718 -9.074 -7.023 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.163 -9.509 -6.275 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.535 -7.805 -6.628 1.00 0.00 H new ATOM 406 N GLU A 29 12.801 -5.764 -4.111 1.00 0.00 N ATOM 407 CA GLU A 29 12.404 -4.403 -4.452 1.00 0.00 C ATOM 408 C GLU A 29 11.973 -4.312 -5.912 1.00 0.00 C ATOM 409 O GLU A 29 11.184 -3.443 -6.283 1.00 0.00 O ATOM 410 CB GLU A 29 13.556 -3.432 -4.186 1.00 0.00 C ATOM 411 CG GLU A 29 13.666 -2.998 -2.734 1.00 0.00 C ATOM 412 CD GLU A 29 15.072 -2.579 -2.355 1.00 0.00 C ATOM 413 OE1 GLU A 29 16.018 -3.344 -2.639 1.00 0.00 O ATOM 414 OE2 GLU A 29 15.228 -1.485 -1.772 1.00 0.00 O ATOM 0 H GLU A 29 13.741 -5.845 -3.724 1.00 0.00 H new ATOM 0 HA GLU A 29 11.556 -4.130 -3.824 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.492 -3.902 -4.488 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.427 -2.549 -4.811 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.983 -2.168 -2.554 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.349 -3.817 -2.089 1.00 0.00 H new ATOM 421 N GLU A 30 12.498 -5.213 -6.737 1.00 0.00 N ATOM 422 CA GLU A 30 12.168 -5.233 -8.156 1.00 0.00 C ATOM 423 C GLU A 30 10.708 -5.623 -8.371 1.00 0.00 C ATOM 424 O GLU A 30 10.032 -5.081 -9.246 1.00 0.00 O ATOM 425 CB GLU A 30 13.082 -6.207 -8.902 1.00 0.00 C ATOM 426 CG GLU A 30 14.142 -5.522 -9.749 1.00 0.00 C ATOM 427 CD GLU A 30 15.009 -6.508 -10.507 1.00 0.00 C ATOM 428 OE1 GLU A 30 14.448 -7.417 -11.154 1.00 0.00 O ATOM 429 OE2 GLU A 30 16.249 -6.368 -10.455 1.00 0.00 O ATOM 0 H GLU A 30 13.154 -5.938 -6.446 1.00 0.00 H new ATOM 0 HA GLU A 30 12.320 -4.228 -8.551 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.572 -6.858 -8.178 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.473 -6.844 -9.543 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.657 -4.850 -10.458 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.773 -4.907 -9.107 1.00 0.00 H new ATOM 436 N ILE A 31 10.230 -6.566 -7.566 1.00 0.00 N ATOM 437 CA ILE A 31 8.851 -7.028 -7.667 1.00 0.00 C ATOM 438 C ILE A 31 7.876 -5.954 -7.197 1.00 0.00 C ATOM 439 O ILE A 31 6.949 -5.583 -7.918 1.00 0.00 O ATOM 440 CB ILE A 31 8.625 -8.309 -6.842 1.00 0.00 C ATOM 441 CG1 ILE A 31 9.569 -9.417 -7.311 1.00 0.00 C ATOM 442 CG2 ILE A 31 7.176 -8.759 -6.950 1.00 0.00 C ATOM 443 CD1 ILE A 31 9.622 -10.603 -6.374 1.00 0.00 C ATOM 0 H ILE A 31 10.777 -7.025 -6.837 1.00 0.00 H new ATOM 0 HA ILE A 31 8.667 -7.246 -8.719 1.00 0.00 H new ATOM 0 HB ILE A 31 8.841 -8.093 -5.796 1.00 0.00 H new ATOM 0 HG12 ILE A 31 9.255 -9.758 -8.298 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.573 -9.006 -7.421 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.032 -9.665 -6.362 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.522 -7.973 -6.572 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.935 -8.961 -7.993 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.311 -11.349 -6.770 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.966 -10.276 -5.393 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.627 -11.040 -6.283 1.00 0.00 H new ATOM 455 N LEU A 32 8.091 -5.458 -5.983 1.00 0.00 N ATOM 456 CA LEU A 32 7.232 -4.424 -5.416 1.00 0.00 C ATOM 457 C LEU A 32 7.146 -3.217 -6.344 1.00 0.00 C ATOM 458 O LEU A 32 6.125 -2.534 -6.396 1.00 0.00 O ATOM 459 CB LEU A 32 7.757 -3.993 -4.046 1.00 0.00 C ATOM 460 CG LEU A 32 7.648 -5.028 -2.927 1.00 0.00 C ATOM 461 CD1 LEU A 32 8.874 -4.977 -2.030 1.00 0.00 C ATOM 462 CD2 LEU A 32 6.381 -4.805 -2.115 1.00 0.00 C ATOM 0 H LEU A 32 8.852 -5.755 -5.373 1.00 0.00 H new ATOM 0 HA LEU A 32 6.231 -4.841 -5.300 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.805 -3.713 -4.153 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.217 -3.097 -3.738 1.00 0.00 H new ATOM 0 HG LEU A 32 7.596 -6.018 -3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.778 -5.721 -1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.766 -5.188 -2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.959 -3.985 -1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.320 -5.551 -1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.402 -3.808 -1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.511 -4.895 -2.766 1.00 0.00 H new ATOM 474 N GLU A 33 8.226 -2.963 -7.078 1.00 0.00 N ATOM 475 CA GLU A 33 8.271 -1.839 -8.005 1.00 0.00 C ATOM 476 C GLU A 33 7.354 -2.083 -9.200 1.00 0.00 C ATOM 477 O GLU A 33 6.861 -1.141 -9.822 1.00 0.00 O ATOM 478 CB GLU A 33 9.704 -1.604 -8.488 1.00 0.00 C ATOM 479 CG GLU A 33 10.398 -0.443 -7.796 1.00 0.00 C ATOM 480 CD GLU A 33 11.855 -0.314 -8.192 1.00 0.00 C ATOM 481 OE1 GLU A 33 12.263 -0.968 -9.175 1.00 0.00 O ATOM 482 OE2 GLU A 33 12.588 0.441 -7.520 1.00 0.00 O ATOM 0 H GLU A 33 9.080 -3.520 -7.048 1.00 0.00 H new ATOM 0 HA GLU A 33 7.923 -0.951 -7.477 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.286 -2.512 -8.327 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.691 -1.420 -9.562 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.876 0.483 -8.038 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.329 -0.575 -6.716 1.00 0.00 H new ATOM 489 N LYS A 34 7.129 -3.354 -9.517 1.00 0.00 N ATOM 490 CA LYS A 34 6.271 -3.723 -10.636 1.00 0.00 C ATOM 491 C LYS A 34 4.832 -3.927 -10.174 1.00 0.00 C ATOM 492 O LYS A 34 3.892 -3.774 -10.955 1.00 0.00 O ATOM 493 CB LYS A 34 6.789 -5.000 -11.303 1.00 0.00 C ATOM 494 CG LYS A 34 7.300 -4.784 -12.717 1.00 0.00 C ATOM 495 CD LYS A 34 8.582 -5.558 -12.971 1.00 0.00 C ATOM 496 CE LYS A 34 8.301 -6.901 -13.629 1.00 0.00 C ATOM 497 NZ LYS A 34 9.541 -7.707 -13.795 1.00 0.00 N ATOM 0 H LYS A 34 7.529 -4.146 -9.014 1.00 0.00 H new ATOM 0 HA LYS A 34 6.290 -2.908 -11.360 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.592 -5.417 -10.695 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.988 -5.739 -11.324 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.538 -5.096 -13.432 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.477 -3.721 -12.883 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.243 -4.970 -13.608 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.106 -5.716 -12.028 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.584 -7.458 -13.026 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.840 -6.739 -14.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.307 -8.614 -14.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.216 -7.187 -14.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.967 -7.884 -12.863 1.00 0.00 H new ATOM 511 N SER A 35 4.667 -4.271 -8.901 1.00 0.00 N ATOM 512 CA SER A 35 3.341 -4.497 -8.336 1.00 0.00 C ATOM 513 C SER A 35 2.538 -3.200 -8.297 1.00 0.00 C ATOM 514 O SER A 35 1.323 -3.203 -8.490 1.00 0.00 O ATOM 515 CB SER A 35 3.458 -5.080 -6.926 1.00 0.00 C ATOM 516 OG SER A 35 4.610 -5.896 -6.806 1.00 0.00 O ATOM 0 H SER A 35 5.434 -4.399 -8.241 1.00 0.00 H new ATOM 0 HA SER A 35 2.817 -5.209 -8.974 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.504 -4.271 -6.197 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.568 -5.666 -6.696 1.00 0.00 H new ATOM 0 HG SER A 35 4.663 -6.255 -5.896 1.00 0.00 H new ATOM 522 N PHE A 36 3.228 -2.093 -8.044 1.00 0.00 N ATOM 523 CA PHE A 36 2.581 -0.787 -7.978 1.00 0.00 C ATOM 524 C PHE A 36 2.656 -0.074 -9.325 1.00 0.00 C ATOM 525 O PHE A 36 1.754 0.680 -9.691 1.00 0.00 O ATOM 526 CB PHE A 36 3.233 0.075 -6.894 1.00 0.00 C ATOM 527 CG PHE A 36 2.791 -0.277 -5.502 1.00 0.00 C ATOM 528 CD1 PHE A 36 1.671 0.316 -4.946 1.00 0.00 C ATOM 529 CD2 PHE A 36 3.499 -1.203 -4.751 1.00 0.00 C ATOM 530 CE1 PHE A 36 1.264 -0.007 -3.664 1.00 0.00 C ATOM 531 CE2 PHE A 36 3.096 -1.529 -3.470 1.00 0.00 C ATOM 532 CZ PHE A 36 1.977 -0.931 -2.926 1.00 0.00 C ATOM 0 H PHE A 36 4.235 -2.074 -7.881 1.00 0.00 H new ATOM 0 HA PHE A 36 1.532 -0.941 -7.727 1.00 0.00 H new ATOM 0 HB2 PHE A 36 4.316 -0.030 -6.960 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.002 1.123 -7.086 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.109 1.039 -5.519 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.375 -1.675 -5.172 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.389 0.463 -3.240 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.656 -2.251 -2.895 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.660 -1.185 -1.925 1.00 0.00 H new ATOM 542 N SER A 37 3.739 -0.318 -10.057 1.00 0.00 N ATOM 543 CA SER A 37 3.935 0.304 -11.360 1.00 0.00 C ATOM 544 C SER A 37 2.730 0.062 -12.266 1.00 0.00 C ATOM 545 O SER A 37 2.427 0.869 -13.143 1.00 0.00 O ATOM 546 CB SER A 37 5.202 -0.241 -12.023 1.00 0.00 C ATOM 547 OG SER A 37 5.235 0.081 -13.403 1.00 0.00 O ATOM 0 H SER A 37 4.493 -0.942 -9.769 1.00 0.00 H new ATOM 0 HA SER A 37 4.044 1.378 -11.209 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.081 0.172 -11.529 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.245 -1.323 -11.898 1.00 0.00 H new ATOM 0 HG SER A 37 6.055 -0.277 -13.803 1.00 0.00 H new ATOM 553 N GLU A 38 2.047 -1.057 -12.043 1.00 0.00 N ATOM 554 CA GLU A 38 0.876 -1.407 -12.839 1.00 0.00 C ATOM 555 C GLU A 38 -0.193 -0.324 -12.738 1.00 0.00 C ATOM 556 O GLU A 38 -1.015 -0.161 -13.639 1.00 0.00 O ATOM 557 CB GLU A 38 0.304 -2.750 -12.380 1.00 0.00 C ATOM 558 CG GLU A 38 1.302 -3.892 -12.446 1.00 0.00 C ATOM 559 CD GLU A 38 0.710 -5.152 -13.048 1.00 0.00 C ATOM 560 OE1 GLU A 38 0.140 -5.961 -12.289 1.00 0.00 O ATOM 561 OE2 GLU A 38 0.817 -5.326 -14.280 1.00 0.00 O ATOM 0 H GLU A 38 2.284 -1.735 -11.319 1.00 0.00 H new ATOM 0 HA GLU A 38 1.187 -1.490 -13.881 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.055 -2.651 -11.355 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.559 -2.997 -12.998 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.164 -3.582 -13.037 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.666 -4.110 -11.442 1.00 0.00 H new ATOM 568 N PHE A 39 -0.178 0.414 -11.632 1.00 0.00 N ATOM 569 CA PHE A 39 -1.147 1.481 -11.410 1.00 0.00 C ATOM 570 C PHE A 39 -0.641 2.802 -11.983 1.00 0.00 C ATOM 571 O PHE A 39 -1.345 3.476 -12.733 1.00 0.00 O ATOM 572 CB PHE A 39 -1.433 1.637 -9.916 1.00 0.00 C ATOM 573 CG PHE A 39 -2.323 0.561 -9.360 1.00 0.00 C ATOM 574 CD1 PHE A 39 -3.701 0.704 -9.383 1.00 0.00 C ATOM 575 CD2 PHE A 39 -1.781 -0.592 -8.816 1.00 0.00 C ATOM 576 CE1 PHE A 39 -4.523 -0.283 -8.873 1.00 0.00 C ATOM 577 CE2 PHE A 39 -2.599 -1.583 -8.305 1.00 0.00 C ATOM 578 CZ PHE A 39 -3.971 -1.428 -8.333 1.00 0.00 C ATOM 0 H PHE A 39 0.495 0.292 -10.875 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.070 1.212 -11.923 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.489 1.634 -9.371 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.898 2.608 -9.743 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.138 1.597 -9.804 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.709 -0.718 -8.791 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.596 -0.159 -8.897 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.165 -2.478 -7.884 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.611 -2.201 -7.933 1.00 0.00 H new ATOM 588 N GLY A 40 0.585 3.166 -11.622 1.00 0.00 N ATOM 589 CA GLY A 40 1.165 4.406 -12.106 1.00 0.00 C ATOM 590 C GLY A 40 2.677 4.415 -12.011 1.00 0.00 C ATOM 591 O GLY A 40 3.259 3.719 -11.178 1.00 0.00 O ATOM 0 H GLY A 40 1.188 2.624 -11.003 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.868 4.562 -13.143 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.763 5.240 -11.531 1.00 0.00 H new ATOM 595 N LYS A 41 3.317 5.204 -12.867 1.00 0.00 N ATOM 596 CA LYS A 41 4.772 5.302 -12.877 1.00 0.00 C ATOM 597 C LYS A 41 5.306 5.610 -11.482 1.00 0.00 C ATOM 598 O LYS A 41 5.215 6.743 -11.006 1.00 0.00 O ATOM 599 CB LYS A 41 5.225 6.385 -13.859 1.00 0.00 C ATOM 600 CG LYS A 41 5.287 5.912 -15.300 1.00 0.00 C ATOM 601 CD LYS A 41 6.544 5.101 -15.567 1.00 0.00 C ATOM 602 CE LYS A 41 7.611 5.937 -16.258 1.00 0.00 C ATOM 603 NZ LYS A 41 8.452 5.118 -17.174 1.00 0.00 N ATOM 0 H LYS A 41 2.851 5.785 -13.563 1.00 0.00 H new ATOM 0 HA LYS A 41 5.173 4.340 -13.197 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.542 7.232 -13.793 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.210 6.745 -13.561 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.408 5.307 -15.523 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.260 6.773 -15.968 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.936 4.715 -14.626 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.297 4.239 -16.187 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.135 6.739 -16.822 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.245 6.409 -15.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.166 5.725 -17.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.927 4.368 -16.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.851 4.688 -17.906 1.00 0.00 H new ATOM 617 N LEU A 42 5.866 4.597 -10.830 1.00 0.00 N ATOM 618 CA LEU A 42 6.417 4.761 -9.489 1.00 0.00 C ATOM 619 C LEU A 42 7.588 5.738 -9.496 1.00 0.00 C ATOM 620 O LEU A 42 8.153 6.036 -10.548 1.00 0.00 O ATOM 621 CB LEU A 42 6.871 3.409 -8.934 1.00 0.00 C ATOM 622 CG LEU A 42 5.764 2.392 -8.657 1.00 0.00 C ATOM 623 CD1 LEU A 42 6.345 1.117 -8.066 1.00 0.00 C ATOM 624 CD2 LEU A 42 4.717 2.984 -7.724 1.00 0.00 C ATOM 0 H LEU A 42 5.951 3.653 -11.208 1.00 0.00 H new ATOM 0 HA LEU A 42 5.633 5.166 -8.849 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.575 2.967 -9.639 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.417 3.584 -8.007 1.00 0.00 H new ATOM 0 HG LEU A 42 5.282 2.143 -9.602 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.542 0.405 -7.876 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.057 0.682 -8.768 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.854 1.349 -7.130 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.937 2.246 -7.538 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.186 3.262 -6.780 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.277 3.869 -8.185 1.00 0.00 H new ATOM 636 N GLU A 43 7.947 6.233 -8.316 1.00 0.00 N ATOM 637 CA GLU A 43 9.051 7.177 -8.189 1.00 0.00 C ATOM 638 C GLU A 43 10.291 6.489 -7.625 1.00 0.00 C ATOM 639 O GLU A 43 11.398 6.668 -8.134 1.00 0.00 O ATOM 640 CB GLU A 43 8.649 8.346 -7.286 1.00 0.00 C ATOM 641 CG GLU A 43 8.814 9.705 -7.946 1.00 0.00 C ATOM 642 CD GLU A 43 10.109 10.390 -7.557 1.00 0.00 C ATOM 643 OE1 GLU A 43 10.216 10.850 -6.401 1.00 0.00 O ATOM 644 OE2 GLU A 43 11.019 10.464 -8.410 1.00 0.00 O ATOM 0 H GLU A 43 7.490 5.996 -7.435 1.00 0.00 H new ATOM 0 HA GLU A 43 9.287 7.558 -9.183 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.609 8.221 -6.984 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.250 8.317 -6.377 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.782 9.585 -9.029 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.974 10.342 -7.671 1.00 0.00 H new ATOM 651 N ARG A 44 10.097 5.702 -6.572 1.00 0.00 N ATOM 652 CA ARG A 44 11.200 4.988 -5.939 1.00 0.00 C ATOM 653 C ARG A 44 10.701 4.146 -4.768 1.00 0.00 C ATOM 654 O ARG A 44 9.823 4.568 -4.015 1.00 0.00 O ATOM 655 CB ARG A 44 12.263 5.975 -5.453 1.00 0.00 C ATOM 656 CG ARG A 44 13.659 5.672 -5.974 1.00 0.00 C ATOM 657 CD ARG A 44 14.703 6.558 -5.313 1.00 0.00 C ATOM 658 NE ARG A 44 14.974 7.761 -6.095 1.00 0.00 N ATOM 659 CZ ARG A 44 15.537 8.853 -5.591 1.00 0.00 C ATOM 660 NH1 ARG A 44 15.887 8.893 -4.313 1.00 0.00 N ATOM 661 NH2 ARG A 44 15.752 9.909 -6.366 1.00 0.00 N ATOM 0 H ARG A 44 9.187 5.543 -6.139 1.00 0.00 H new ATOM 0 HA ARG A 44 11.643 4.323 -6.681 1.00 0.00 H new ATOM 0 HB2 ARG A 44 11.980 6.982 -5.761 1.00 0.00 H new ATOM 0 HB3 ARG A 44 12.282 5.968 -4.363 1.00 0.00 H new ATOM 0 HG2 ARG A 44 13.899 4.625 -5.789 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.686 5.819 -7.054 1.00 0.00 H new ATOM 0 HD2 ARG A 44 14.360 6.842 -4.318 1.00 0.00 H new ATOM 0 HD3 ARG A 44 15.627 5.994 -5.183 1.00 0.00 H new ATOM 0 HE ARG A 44 14.717 7.763 -7.082 1.00 0.00 H new ATOM 0 HH11 ARG A 44 15.724 8.084 -3.714 1.00 0.00 H new ATOM 0 HH12 ARG A 44 16.319 9.733 -3.929 1.00 0.00 H new ATOM 0 HH21 ARG A 44 15.485 9.882 -7.350 1.00 0.00 H new ATOM 0 HH22 ARG A 44 16.185 10.747 -5.978 1.00 0.00 H new ATOM 675 N VAL A 45 11.266 2.952 -4.621 1.00 0.00 N ATOM 676 CA VAL A 45 10.879 2.050 -3.543 1.00 0.00 C ATOM 677 C VAL A 45 12.087 1.646 -2.705 1.00 0.00 C ATOM 678 O VAL A 45 13.208 1.563 -3.209 1.00 0.00 O ATOM 679 CB VAL A 45 10.199 0.781 -4.089 1.00 0.00 C ATOM 680 CG1 VAL A 45 9.651 -0.065 -2.949 1.00 0.00 C ATOM 681 CG2 VAL A 45 9.095 1.148 -5.069 1.00 0.00 C ATOM 0 H VAL A 45 11.994 2.587 -5.235 1.00 0.00 H new ATOM 0 HA VAL A 45 10.170 2.591 -2.917 1.00 0.00 H new ATOM 0 HB VAL A 45 10.945 0.191 -4.621 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.174 -0.957 -3.355 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.467 -0.358 -2.289 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.919 0.514 -2.386 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.625 0.239 -5.445 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.348 1.760 -4.563 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.519 1.708 -5.902 1.00 0.00 H new ATOM 691 N LYS A 46 11.853 1.394 -1.422 1.00 0.00 N ATOM 692 CA LYS A 46 12.921 0.996 -0.512 1.00 0.00 C ATOM 693 C LYS A 46 12.417 -0.026 0.503 1.00 0.00 C ATOM 694 O LYS A 46 11.321 0.109 1.045 1.00 0.00 O ATOM 695 CB LYS A 46 13.481 2.220 0.216 1.00 0.00 C ATOM 696 CG LYS A 46 14.964 2.114 0.530 1.00 0.00 C ATOM 697 CD LYS A 46 15.799 2.048 -0.738 1.00 0.00 C ATOM 698 CE LYS A 46 17.079 2.857 -0.606 1.00 0.00 C ATOM 699 NZ LYS A 46 16.861 4.297 -0.913 1.00 0.00 N ATOM 0 H LYS A 46 10.932 1.458 -0.988 1.00 0.00 H new ATOM 0 HA LYS A 46 13.715 0.537 -1.101 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.310 3.106 -0.395 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.930 2.363 1.146 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.273 2.973 1.126 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.146 1.225 1.134 1.00 0.00 H new ATOM 0 HD2 LYS A 46 16.045 1.009 -0.959 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.216 2.423 -1.579 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.469 2.757 0.407 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.835 2.453 -1.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 17.758 4.813 -0.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 16.514 4.395 -1.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 16.159 4.690 -0.254 1.00 0.00 H new ATOM 713 N LYS A 47 13.227 -1.049 0.757 1.00 0.00 N ATOM 714 CA LYS A 47 12.867 -2.093 1.709 1.00 0.00 C ATOM 715 C LYS A 47 13.341 -1.736 3.113 1.00 0.00 C ATOM 716 O LYS A 47 14.517 -1.894 3.442 1.00 0.00 O ATOM 717 CB LYS A 47 13.471 -3.432 1.281 1.00 0.00 C ATOM 718 CG LYS A 47 12.587 -4.627 1.594 1.00 0.00 C ATOM 719 CD LYS A 47 12.687 -5.693 0.517 1.00 0.00 C ATOM 720 CE LYS A 47 11.724 -6.841 0.778 1.00 0.00 C ATOM 721 NZ LYS A 47 12.421 -8.157 0.796 1.00 0.00 N ATOM 0 H LYS A 47 14.138 -1.177 0.316 1.00 0.00 H new ATOM 0 HA LYS A 47 11.780 -2.179 1.722 1.00 0.00 H new ATOM 0 HB2 LYS A 47 13.667 -3.406 0.209 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.433 -3.562 1.777 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.876 -5.052 2.555 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.552 -4.300 1.688 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.472 -5.250 -0.456 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.707 -6.075 0.475 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.221 -6.683 1.732 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.952 -6.849 0.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.004 -8.761 1.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.316 -8.618 -0.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.431 -8.012 0.998 1.00 0.00 H new ATOM 735 N LEU A 48 12.418 -1.254 3.938 1.00 0.00 N ATOM 736 CA LEU A 48 12.741 -0.874 5.310 1.00 0.00 C ATOM 737 C LEU A 48 11.832 -1.594 6.302 1.00 0.00 C ATOM 738 O LEU A 48 10.636 -1.313 6.381 1.00 0.00 O ATOM 739 CB LEU A 48 12.611 0.639 5.486 1.00 0.00 C ATOM 740 CG LEU A 48 13.784 1.477 4.977 1.00 0.00 C ATOM 741 CD1 LEU A 48 15.071 1.078 5.680 1.00 0.00 C ATOM 742 CD2 LEU A 48 13.930 1.330 3.469 1.00 0.00 C ATOM 0 H LEU A 48 11.440 -1.117 3.682 1.00 0.00 H new ATOM 0 HA LEU A 48 13.771 -1.168 5.510 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.707 0.968 4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.472 0.851 6.546 1.00 0.00 H new ATOM 0 HG LEU A 48 13.581 2.524 5.202 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.894 1.686 5.304 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.964 1.236 6.753 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.279 0.026 5.488 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.770 1.933 3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.109 0.284 3.221 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.016 1.667 2.980 1.00 0.00 H new ATOM 754 N LYS A 49 12.408 -2.522 7.058 1.00 0.00 N ATOM 755 CA LYS A 49 11.652 -3.280 8.048 1.00 0.00 C ATOM 756 C LYS A 49 10.572 -4.123 7.379 1.00 0.00 C ATOM 757 O LYS A 49 10.610 -4.353 6.171 1.00 0.00 O ATOM 758 CB LYS A 49 11.016 -2.333 9.069 1.00 0.00 C ATOM 759 CG LYS A 49 11.963 -1.257 9.573 1.00 0.00 C ATOM 760 CD LYS A 49 13.175 -1.859 10.263 1.00 0.00 C ATOM 761 CE LYS A 49 13.446 -1.189 11.601 1.00 0.00 C ATOM 762 NZ LYS A 49 12.397 -1.516 12.607 1.00 0.00 N ATOM 0 H LYS A 49 13.397 -2.768 7.004 1.00 0.00 H new ATOM 0 HA LYS A 49 12.343 -3.948 8.562 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.146 -1.857 8.617 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.656 -2.915 9.917 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.289 -0.638 8.737 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.435 -0.603 10.267 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.015 -2.926 10.415 1.00 0.00 H new ATOM 0 HD3 LYS A 49 14.049 -1.756 9.620 1.00 0.00 H new ATOM 0 HE2 LYS A 49 14.420 -1.506 11.975 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.493 -0.109 11.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.736 -1.262 13.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.532 -0.980 12.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.190 -2.535 12.574 1.00 0.00 H new ATOM 776 N ASP A 50 9.609 -4.579 8.173 1.00 0.00 N ATOM 777 CA ASP A 50 8.516 -5.395 7.656 1.00 0.00 C ATOM 778 C ASP A 50 7.703 -4.623 6.621 1.00 0.00 C ATOM 779 O ASP A 50 6.936 -5.209 5.856 1.00 0.00 O ATOM 780 CB ASP A 50 7.607 -5.851 8.798 1.00 0.00 C ATOM 781 CG ASP A 50 8.298 -6.821 9.736 1.00 0.00 C ATOM 782 OD1 ASP A 50 8.522 -7.980 9.329 1.00 0.00 O ATOM 783 OD2 ASP A 50 8.613 -6.423 10.877 1.00 0.00 O ATOM 0 H ASP A 50 9.563 -4.398 9.176 1.00 0.00 H new ATOM 0 HA ASP A 50 8.948 -6.271 7.173 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.273 -4.980 9.362 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.716 -6.323 8.383 1.00 0.00 H new ATOM 788 N TYR A 51 7.878 -3.307 6.602 1.00 0.00 N ATOM 789 CA TYR A 51 7.159 -2.454 5.663 1.00 0.00 C ATOM 790 C TYR A 51 8.086 -1.956 4.559 1.00 0.00 C ATOM 791 O TYR A 51 9.247 -2.355 4.482 1.00 0.00 O ATOM 792 CB TYR A 51 6.535 -1.264 6.396 1.00 0.00 C ATOM 793 CG TYR A 51 7.512 -0.515 7.274 1.00 0.00 C ATOM 794 CD1 TYR A 51 8.373 0.434 6.737 1.00 0.00 C ATOM 795 CD2 TYR A 51 7.574 -0.756 8.641 1.00 0.00 C ATOM 796 CE1 TYR A 51 9.267 1.121 7.535 1.00 0.00 C ATOM 797 CE2 TYR A 51 8.463 -0.073 9.447 1.00 0.00 C ATOM 798 CZ TYR A 51 9.308 0.863 8.890 1.00 0.00 C ATOM 799 OH TYR A 51 10.197 1.547 9.689 1.00 0.00 O ATOM 0 H TYR A 51 8.511 -2.807 7.226 1.00 0.00 H new ATOM 0 HA TYR A 51 6.367 -3.047 5.207 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.116 -0.575 5.663 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.707 -1.619 7.009 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.343 0.638 5.677 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.915 -1.490 9.081 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.930 1.855 7.101 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.496 -0.271 10.508 1.00 0.00 H new ATOM 0 HH TYR A 51 10.098 1.249 10.617 1.00 0.00 H new ATOM 809 N ALA A 52 7.564 -1.081 3.706 1.00 0.00 N ATOM 810 CA ALA A 52 8.344 -0.525 2.608 1.00 0.00 C ATOM 811 C ALA A 52 7.973 0.932 2.352 1.00 0.00 C ATOM 812 O ALA A 52 6.892 1.383 2.732 1.00 0.00 O ATOM 813 CB ALA A 52 8.143 -1.353 1.346 1.00 0.00 C ATOM 0 H ALA A 52 6.603 -0.742 3.755 1.00 0.00 H new ATOM 0 HA ALA A 52 9.397 -0.560 2.889 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.731 -0.927 0.534 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.465 -2.378 1.528 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.088 -1.348 1.072 1.00 0.00 H new ATOM 819 N PHE A 53 8.876 1.663 1.706 1.00 0.00 N ATOM 820 CA PHE A 53 8.643 3.070 1.402 1.00 0.00 C ATOM 821 C PHE A 53 8.646 3.307 -0.106 1.00 0.00 C ATOM 822 O PHE A 53 9.695 3.272 -0.748 1.00 0.00 O ATOM 823 CB PHE A 53 9.709 3.941 2.069 1.00 0.00 C ATOM 824 CG PHE A 53 9.427 4.230 3.516 1.00 0.00 C ATOM 825 CD1 PHE A 53 8.212 4.769 3.905 1.00 0.00 C ATOM 826 CD2 PHE A 53 10.378 3.962 4.487 1.00 0.00 C ATOM 827 CE1 PHE A 53 7.949 5.036 5.235 1.00 0.00 C ATOM 828 CE2 PHE A 53 10.121 4.226 5.819 1.00 0.00 C ATOM 829 CZ PHE A 53 8.906 4.765 6.194 1.00 0.00 C ATOM 0 H PHE A 53 9.775 1.305 1.383 1.00 0.00 H new ATOM 0 HA PHE A 53 7.663 3.344 1.794 1.00 0.00 H new ATOM 0 HB2 PHE A 53 10.676 3.444 1.988 1.00 0.00 H new ATOM 0 HB3 PHE A 53 9.788 4.883 1.527 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.461 4.983 3.159 1.00 0.00 H new ATOM 0 HD2 PHE A 53 11.331 3.542 4.200 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.997 5.456 5.524 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.870 4.011 6.567 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.704 4.974 7.234 1.00 0.00 H new ATOM 839 N VAL A 54 7.465 3.549 -0.663 1.00 0.00 N ATOM 840 CA VAL A 54 7.329 3.793 -2.094 1.00 0.00 C ATOM 841 C VAL A 54 6.840 5.212 -2.365 1.00 0.00 C ATOM 842 O VAL A 54 6.023 5.752 -1.621 1.00 0.00 O ATOM 843 CB VAL A 54 6.356 2.794 -2.746 1.00 0.00 C ATOM 844 CG1 VAL A 54 6.224 3.069 -4.235 1.00 0.00 C ATOM 845 CG2 VAL A 54 6.816 1.364 -2.498 1.00 0.00 C ATOM 0 H VAL A 54 6.587 3.581 -0.145 1.00 0.00 H new ATOM 0 HA VAL A 54 8.319 3.662 -2.532 1.00 0.00 H new ATOM 0 HB VAL A 54 5.374 2.921 -2.290 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.532 2.352 -4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.845 4.080 -4.386 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.200 2.972 -4.711 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.117 0.671 -2.966 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.809 1.222 -2.925 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.852 1.174 -1.425 1.00 0.00 H new ATOM 855 N HIS A 55 7.346 5.810 -3.439 1.00 0.00 N ATOM 856 CA HIS A 55 6.960 7.167 -3.811 1.00 0.00 C ATOM 857 C HIS A 55 6.240 7.178 -5.156 1.00 0.00 C ATOM 858 O HIS A 55 6.458 6.304 -5.995 1.00 0.00 O ATOM 859 CB HIS A 55 8.191 8.072 -3.871 1.00 0.00 C ATOM 860 CG HIS A 55 8.683 8.504 -2.525 1.00 0.00 C ATOM 861 ND1 HIS A 55 8.485 9.774 -2.023 1.00 0.00 N ATOM 862 CD2 HIS A 55 9.366 7.827 -1.573 1.00 0.00 C ATOM 863 CE1 HIS A 55 9.027 9.859 -0.821 1.00 0.00 C ATOM 864 NE2 HIS A 55 9.568 8.691 -0.524 1.00 0.00 N ATOM 0 H HIS A 55 8.024 5.377 -4.067 1.00 0.00 H new ATOM 0 HA HIS A 55 6.277 7.545 -3.050 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.993 7.547 -4.390 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.953 8.956 -4.463 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.692 6.799 -1.628 1.00 0.00 H new ATOM 0 HE1 HIS A 55 9.028 10.735 -0.189 1.00 0.00 H new ATOM 0 HE2 HIS A 55 10.056 8.467 0.343 1.00 0.00 H new ATOM 872 N PHE A 56 5.381 8.172 -5.354 1.00 0.00 N ATOM 873 CA PHE A 56 4.628 8.295 -6.597 1.00 0.00 C ATOM 874 C PHE A 56 4.817 9.679 -7.213 1.00 0.00 C ATOM 875 O PHE A 56 5.108 10.646 -6.511 1.00 0.00 O ATOM 876 CB PHE A 56 3.141 8.036 -6.344 1.00 0.00 C ATOM 877 CG PHE A 56 2.802 6.581 -6.202 1.00 0.00 C ATOM 878 CD1 PHE A 56 3.037 5.913 -5.011 1.00 0.00 C ATOM 879 CD2 PHE A 56 2.248 5.878 -7.261 1.00 0.00 C ATOM 880 CE1 PHE A 56 2.727 4.574 -4.877 1.00 0.00 C ATOM 881 CE2 PHE A 56 1.934 4.538 -7.132 1.00 0.00 C ATOM 882 CZ PHE A 56 2.175 3.884 -5.939 1.00 0.00 C ATOM 0 H PHE A 56 5.189 8.904 -4.670 1.00 0.00 H new ATOM 0 HA PHE A 56 5.006 7.550 -7.297 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.838 8.561 -5.438 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.562 8.457 -7.166 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.468 6.446 -4.177 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.060 6.383 -8.197 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.916 4.067 -3.943 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.500 4.002 -7.964 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.933 2.837 -5.837 1.00 0.00 H new ATOM 892 N GLU A 57 4.649 9.762 -8.529 1.00 0.00 N ATOM 893 CA GLU A 57 4.803 11.026 -9.240 1.00 0.00 C ATOM 894 C GLU A 57 3.899 12.099 -8.642 1.00 0.00 C ATOM 895 O GLU A 57 4.195 13.292 -8.724 1.00 0.00 O ATOM 896 CB GLU A 57 4.484 10.844 -10.724 1.00 0.00 C ATOM 897 CG GLU A 57 5.707 10.913 -11.623 1.00 0.00 C ATOM 898 CD GLU A 57 5.696 12.128 -12.530 1.00 0.00 C ATOM 899 OE1 GLU A 57 5.459 13.246 -12.021 1.00 0.00 O ATOM 900 OE2 GLU A 57 5.925 11.965 -13.746 1.00 0.00 O ATOM 0 H GLU A 57 4.406 8.970 -9.124 1.00 0.00 H new ATOM 0 HA GLU A 57 5.839 11.348 -9.136 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.993 9.881 -10.866 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.774 11.612 -11.031 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.606 10.932 -11.007 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.757 10.010 -12.232 1.00 0.00 H new ATOM 907 N ASP A 58 2.796 11.668 -8.040 1.00 0.00 N ATOM 908 CA ASP A 58 1.848 12.591 -7.428 1.00 0.00 C ATOM 909 C ASP A 58 1.002 11.883 -6.374 1.00 0.00 C ATOM 910 O ASP A 58 1.279 10.741 -6.008 1.00 0.00 O ATOM 911 CB ASP A 58 0.943 13.209 -8.495 1.00 0.00 C ATOM 912 CG ASP A 58 0.798 14.710 -8.332 1.00 0.00 C ATOM 913 OD1 ASP A 58 1.661 15.449 -8.849 1.00 0.00 O ATOM 914 OD2 ASP A 58 -0.179 15.145 -7.686 1.00 0.00 O ATOM 0 H ASP A 58 2.536 10.685 -7.963 1.00 0.00 H new ATOM 0 HA ASP A 58 2.415 13.384 -6.940 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.349 12.991 -9.483 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.042 12.744 -8.446 1.00 0.00 H new ATOM 919 N ARG A 59 -0.029 12.568 -5.892 1.00 0.00 N ATOM 920 CA ARG A 59 -0.914 12.004 -4.879 1.00 0.00 C ATOM 921 C ARG A 59 -1.912 11.035 -5.506 1.00 0.00 C ATOM 922 O ARG A 59 -2.127 9.935 -5.000 1.00 0.00 O ATOM 923 CB ARG A 59 -1.662 13.120 -4.147 1.00 0.00 C ATOM 924 CG ARG A 59 -2.764 12.615 -3.230 1.00 0.00 C ATOM 925 CD ARG A 59 -4.137 12.798 -3.857 1.00 0.00 C ATOM 926 NE ARG A 59 -4.419 14.198 -4.160 1.00 0.00 N ATOM 927 CZ ARG A 59 -5.494 14.603 -4.827 1.00 0.00 C ATOM 928 NH1 ARG A 59 -6.385 13.719 -5.256 1.00 0.00 N ATOM 929 NH2 ARG A 59 -5.682 15.895 -5.063 1.00 0.00 N ATOM 0 H ARG A 59 -0.273 13.514 -6.186 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.302 11.455 -4.163 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.949 13.699 -3.560 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.095 13.798 -4.882 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.601 11.560 -3.010 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.722 13.149 -2.281 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.199 12.210 -4.773 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.899 12.413 -3.179 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.754 14.904 -3.842 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.246 12.725 -5.074 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.209 14.033 -5.768 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.001 16.578 -4.732 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -6.508 16.205 -5.575 1.00 0.00 H new ATOM 943 N GLY A 60 -2.517 11.453 -6.614 1.00 0.00 N ATOM 944 CA GLY A 60 -3.486 10.611 -7.293 1.00 0.00 C ATOM 945 C GLY A 60 -2.947 9.223 -7.579 1.00 0.00 C ATOM 946 O GLY A 60 -3.603 8.223 -7.288 1.00 0.00 O ATOM 0 H GLY A 60 -2.354 12.359 -7.053 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.384 10.530 -6.681 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.780 11.084 -8.230 1.00 0.00 H new ATOM 950 N ALA A 61 -1.750 9.162 -8.152 1.00 0.00 N ATOM 951 CA ALA A 61 -1.124 7.886 -8.477 1.00 0.00 C ATOM 952 C ALA A 61 -0.985 7.010 -7.236 1.00 0.00 C ATOM 953 O ALA A 61 -0.932 5.785 -7.333 1.00 0.00 O ATOM 954 CB ALA A 61 0.236 8.114 -9.120 1.00 0.00 C ATOM 0 H ALA A 61 -1.194 9.980 -8.401 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.766 7.365 -9.187 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.692 7.153 -9.357 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.113 8.693 -10.035 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.878 8.659 -8.429 1.00 0.00 H new ATOM 960 N ALA A 62 -0.926 7.647 -6.072 1.00 0.00 N ATOM 961 CA ALA A 62 -0.795 6.926 -4.811 1.00 0.00 C ATOM 962 C ALA A 62 -2.155 6.476 -4.292 1.00 0.00 C ATOM 963 O ALA A 62 -2.332 5.321 -3.904 1.00 0.00 O ATOM 964 CB ALA A 62 -0.093 7.794 -3.778 1.00 0.00 C ATOM 0 H ALA A 62 -0.967 8.662 -5.975 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.192 6.036 -4.991 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.002 7.244 -2.842 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.900 8.060 -4.141 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.673 8.701 -3.610 1.00 0.00 H new ATOM 970 N VAL A 63 -3.116 7.395 -4.287 1.00 0.00 N ATOM 971 CA VAL A 63 -4.462 7.093 -3.815 1.00 0.00 C ATOM 972 C VAL A 63 -5.130 6.045 -4.697 1.00 0.00 C ATOM 973 O VAL A 63 -5.577 5.004 -4.215 1.00 0.00 O ATOM 974 CB VAL A 63 -5.342 8.357 -3.780 1.00 0.00 C ATOM 975 CG1 VAL A 63 -6.736 8.023 -3.274 1.00 0.00 C ATOM 976 CG2 VAL A 63 -4.696 9.432 -2.920 1.00 0.00 C ATOM 0 H VAL A 63 -2.987 8.356 -4.605 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.363 6.702 -2.802 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.434 8.743 -4.795 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.343 8.928 -3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.197 7.290 -3.936 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.669 7.611 -2.267 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.331 10.318 -2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.572 9.059 -1.903 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.721 9.691 -3.333 1.00 0.00 H new ATOM 986 N LYS A 64 -5.195 6.326 -5.994 1.00 0.00 N ATOM 987 CA LYS A 64 -5.808 5.408 -6.947 1.00 0.00 C ATOM 988 C LYS A 64 -5.189 4.018 -6.837 1.00 0.00 C ATOM 989 O LYS A 64 -5.839 3.014 -7.129 1.00 0.00 O ATOM 990 CB LYS A 64 -5.647 5.938 -8.374 1.00 0.00 C ATOM 991 CG LYS A 64 -6.205 5.006 -9.435 1.00 0.00 C ATOM 992 CD LYS A 64 -5.100 4.240 -10.143 1.00 0.00 C ATOM 993 CE LYS A 64 -5.656 3.351 -11.244 1.00 0.00 C ATOM 994 NZ LYS A 64 -6.202 4.146 -12.378 1.00 0.00 N ATOM 0 H LYS A 64 -4.830 7.183 -6.410 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.870 5.334 -6.711 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.146 6.904 -8.452 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.589 6.108 -8.572 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.899 4.303 -8.974 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.774 5.583 -10.164 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.383 4.943 -10.568 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.558 3.630 -9.420 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.869 2.691 -11.609 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.441 2.715 -10.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.415 3.513 -13.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.073 4.628 -12.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.500 4.854 -12.676 1.00 0.00 H new ATOM 1008 N ALA A 65 -3.931 3.966 -6.413 1.00 0.00 N ATOM 1009 CA ALA A 65 -3.227 2.699 -6.261 1.00 0.00 C ATOM 1010 C ALA A 65 -3.614 2.009 -4.957 1.00 0.00 C ATOM 1011 O ALA A 65 -4.153 0.902 -4.966 1.00 0.00 O ATOM 1012 CB ALA A 65 -1.723 2.921 -6.318 1.00 0.00 C ATOM 0 H ALA A 65 -3.378 4.787 -6.168 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.518 2.048 -7.086 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.210 1.966 -6.203 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.457 3.363 -7.278 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.424 3.593 -5.514 1.00 0.00 H new ATOM 1018 N MET A 66 -3.334 2.670 -3.839 1.00 0.00 N ATOM 1019 CA MET A 66 -3.653 2.119 -2.527 1.00 0.00 C ATOM 1020 C MET A 66 -5.125 1.729 -2.444 1.00 0.00 C ATOM 1021 O MET A 66 -5.495 0.812 -1.710 1.00 0.00 O ATOM 1022 CB MET A 66 -3.321 3.132 -1.430 1.00 0.00 C ATOM 1023 CG MET A 66 -3.823 2.725 -0.054 1.00 0.00 C ATOM 1024 SD MET A 66 -3.360 3.903 1.230 1.00 0.00 S ATOM 1025 CE MET A 66 -4.301 5.341 0.726 1.00 0.00 C ATOM 0 H MET A 66 -2.887 3.587 -3.815 1.00 0.00 H new ATOM 0 HA MET A 66 -3.049 1.224 -2.381 1.00 0.00 H new ATOM 0 HB2 MET A 66 -2.240 3.268 -1.388 1.00 0.00 H new ATOM 0 HB3 MET A 66 -3.754 4.097 -1.695 1.00 0.00 H new ATOM 0 HG2 MET A 66 -4.909 2.631 -0.081 1.00 0.00 H new ATOM 0 HG3 MET A 66 -3.424 1.743 0.198 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.624 6.179 0.560 1.00 0.00 H new ATOM 0 HE2 MET A 66 -4.837 5.120 -0.197 1.00 0.00 H new ATOM 0 HE3 MET A 66 -5.015 5.601 1.507 1.00 0.00 H new ATOM 1035 N ASP A 67 -5.961 2.430 -3.201 1.00 0.00 N ATOM 1036 CA ASP A 67 -7.394 2.156 -3.215 1.00 0.00 C ATOM 1037 C ASP A 67 -7.663 0.679 -3.485 1.00 0.00 C ATOM 1038 O ASP A 67 -8.442 0.042 -2.778 1.00 0.00 O ATOM 1039 CB ASP A 67 -8.090 3.016 -4.272 1.00 0.00 C ATOM 1040 CG ASP A 67 -8.420 4.405 -3.762 1.00 0.00 C ATOM 1041 OD1 ASP A 67 -7.853 4.807 -2.725 1.00 0.00 O ATOM 1042 OD2 ASP A 67 -9.245 5.090 -4.403 1.00 0.00 O ATOM 0 H ASP A 67 -5.672 3.193 -3.813 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.796 2.406 -2.233 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.449 3.097 -5.150 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.007 2.522 -4.592 1.00 0.00 H new ATOM 1047 N GLU A 68 -7.012 0.143 -4.513 1.00 0.00 N ATOM 1048 CA GLU A 68 -7.183 -1.258 -4.877 1.00 0.00 C ATOM 1049 C GLU A 68 -6.135 -2.130 -4.192 1.00 0.00 C ATOM 1050 O GLU A 68 -6.443 -3.210 -3.690 1.00 0.00 O ATOM 1051 CB GLU A 68 -7.092 -1.429 -6.395 1.00 0.00 C ATOM 1052 CG GLU A 68 -8.109 -0.602 -7.162 1.00 0.00 C ATOM 1053 CD GLU A 68 -9.143 -1.457 -7.868 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -8.746 -2.401 -8.583 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -10.351 -1.183 -7.705 1.00 0.00 O ATOM 0 H GLU A 68 -6.362 0.658 -5.108 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.170 -1.576 -4.542 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.090 -1.154 -6.724 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.231 -2.481 -6.643 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.613 0.077 -6.474 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.591 0.015 -7.896 1.00 0.00 H new ATOM 1062 N MET A 69 -4.894 -1.652 -4.178 1.00 0.00 N ATOM 1063 CA MET A 69 -3.800 -2.387 -3.554 1.00 0.00 C ATOM 1064 C MET A 69 -4.158 -2.789 -2.127 1.00 0.00 C ATOM 1065 O MET A 69 -3.839 -3.891 -1.683 1.00 0.00 O ATOM 1066 CB MET A 69 -2.524 -1.542 -3.553 1.00 0.00 C ATOM 1067 CG MET A 69 -2.072 -1.124 -4.943 1.00 0.00 C ATOM 1068 SD MET A 69 -0.670 -2.091 -5.536 1.00 0.00 S ATOM 1069 CE MET A 69 -1.202 -3.750 -5.121 1.00 0.00 C ATOM 0 H MET A 69 -4.622 -0.760 -4.591 1.00 0.00 H new ATOM 0 HA MET A 69 -3.627 -3.293 -4.135 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.689 -0.649 -2.950 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.724 -2.107 -3.074 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.904 -1.232 -5.639 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.801 -0.068 -4.931 1.00 0.00 H new ATOM 0 HE1 MET A 69 -0.489 -4.471 -5.521 1.00 0.00 H new ATOM 0 HE2 MET A 69 -1.255 -3.855 -4.037 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.186 -3.935 -5.552 1.00 0.00 H new ATOM 1079 N ASN A 70 -4.824 -1.888 -1.412 1.00 0.00 N ATOM 1080 CA ASN A 70 -5.225 -2.149 -0.035 1.00 0.00 C ATOM 1081 C ASN A 70 -6.053 -3.426 0.058 1.00 0.00 C ATOM 1082 O ASN A 70 -7.192 -3.475 -0.403 1.00 0.00 O ATOM 1083 CB ASN A 70 -6.025 -0.968 0.519 1.00 0.00 C ATOM 1084 CG ASN A 70 -6.813 -1.334 1.761 1.00 0.00 C ATOM 1085 OD1 ASN A 70 -8.030 -1.156 1.813 1.00 0.00 O ATOM 1086 ND2 ASN A 70 -6.120 -1.848 2.771 1.00 0.00 N ATOM 0 H ASN A 70 -5.097 -0.970 -1.764 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.322 -2.278 0.561 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.344 -0.149 0.752 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.709 -0.605 -0.248 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.596 -2.113 3.634 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.112 -1.978 2.684 1.00 0.00 H new ATOM 1093 N GLY A 71 -5.471 -4.461 0.658 1.00 0.00 N ATOM 1094 CA GLY A 71 -6.169 -5.725 0.802 1.00 0.00 C ATOM 1095 C GLY A 71 -5.878 -6.680 -0.338 1.00 0.00 C ATOM 1096 O GLY A 71 -6.779 -7.349 -0.844 1.00 0.00 O ATOM 0 H GLY A 71 -4.528 -4.446 1.047 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.881 -6.190 1.745 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.242 -5.540 0.853 1.00 0.00 H new ATOM 1100 N LYS A 72 -4.614 -6.745 -0.745 1.00 0.00 N ATOM 1101 CA LYS A 72 -4.204 -7.626 -1.833 1.00 0.00 C ATOM 1102 C LYS A 72 -3.330 -8.762 -1.313 1.00 0.00 C ATOM 1103 O LYS A 72 -2.914 -8.758 -0.155 1.00 0.00 O ATOM 1104 CB LYS A 72 -3.446 -6.833 -2.899 1.00 0.00 C ATOM 1105 CG LYS A 72 -4.337 -6.295 -4.006 1.00 0.00 C ATOM 1106 CD LYS A 72 -4.882 -7.413 -4.877 1.00 0.00 C ATOM 1107 CE LYS A 72 -4.017 -7.630 -6.110 1.00 0.00 C ATOM 1108 NZ LYS A 72 -4.821 -7.601 -7.363 1.00 0.00 N ATOM 0 H LYS A 72 -3.856 -6.198 -0.337 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.102 -8.056 -2.277 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.931 -6.000 -2.422 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.680 -7.472 -3.339 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.165 -5.737 -3.569 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.771 -5.596 -4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.931 -8.336 -4.299 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.901 -7.174 -5.183 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.248 -6.859 -6.154 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.504 -8.588 -6.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.196 -7.753 -8.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.539 -8.353 -7.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.291 -6.677 -7.453 1.00 0.00 H new ATOM 1122 N GLU A 73 -3.057 -9.736 -2.176 1.00 0.00 N ATOM 1123 CA GLU A 73 -2.232 -10.878 -1.803 1.00 0.00 C ATOM 1124 C GLU A 73 -0.984 -10.958 -2.678 1.00 0.00 C ATOM 1125 O GLU A 73 -1.048 -11.388 -3.830 1.00 0.00 O ATOM 1126 CB GLU A 73 -3.035 -12.176 -1.922 1.00 0.00 C ATOM 1127 CG GLU A 73 -2.194 -13.430 -1.756 1.00 0.00 C ATOM 1128 CD GLU A 73 -3.019 -14.699 -1.824 1.00 0.00 C ATOM 1129 OE1 GLU A 73 -4.151 -14.699 -1.295 1.00 0.00 O ATOM 1130 OE2 GLU A 73 -2.535 -15.692 -2.407 1.00 0.00 O ATOM 0 H GLU A 73 -3.395 -9.756 -3.138 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.920 -10.745 -0.767 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.824 -12.176 -1.170 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.524 -12.203 -2.896 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.430 -13.456 -2.533 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.674 -13.390 -0.799 1.00 0.00 H new ATOM 1137 N ILE A 74 0.148 -10.541 -2.122 1.00 0.00 N ATOM 1138 CA ILE A 74 1.410 -10.565 -2.851 1.00 0.00 C ATOM 1139 C ILE A 74 2.318 -11.678 -2.339 1.00 0.00 C ATOM 1140 O ILE A 74 2.585 -11.774 -1.142 1.00 0.00 O ATOM 1141 CB ILE A 74 2.152 -9.220 -2.738 1.00 0.00 C ATOM 1142 CG1 ILE A 74 1.272 -8.083 -3.261 1.00 0.00 C ATOM 1143 CG2 ILE A 74 3.466 -9.274 -3.502 1.00 0.00 C ATOM 1144 CD1 ILE A 74 1.783 -6.706 -2.895 1.00 0.00 C ATOM 0 H ILE A 74 0.217 -10.183 -1.170 1.00 0.00 H new ATOM 0 HA ILE A 74 1.167 -10.749 -3.897 1.00 0.00 H new ATOM 0 HB ILE A 74 2.373 -9.030 -1.688 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.201 -8.159 -4.346 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.263 -8.204 -2.866 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.979 -8.316 -3.413 1.00 0.00 H new ATOM 0 HG22 ILE A 74 4.095 -10.062 -3.089 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.267 -9.482 -4.553 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.110 -5.949 -3.298 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.827 -6.611 -1.810 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.780 -6.565 -3.313 1.00 0.00 H new ATOM 1156 N GLU A 75 2.792 -12.517 -3.256 1.00 0.00 N ATOM 1157 CA GLU A 75 3.672 -13.623 -2.897 1.00 0.00 C ATOM 1158 C GLU A 75 3.014 -14.527 -1.859 1.00 0.00 C ATOM 1159 O GLU A 75 3.681 -15.067 -0.978 1.00 0.00 O ATOM 1160 CB GLU A 75 5.001 -13.091 -2.357 1.00 0.00 C ATOM 1161 CG GLU A 75 6.205 -13.915 -2.783 1.00 0.00 C ATOM 1162 CD GLU A 75 5.954 -15.407 -2.687 1.00 0.00 C ATOM 1163 OE1 GLU A 75 5.401 -15.979 -3.650 1.00 0.00 O ATOM 1164 OE2 GLU A 75 6.309 -16.003 -1.649 1.00 0.00 O ATOM 0 H GLU A 75 2.581 -12.451 -4.252 1.00 0.00 H new ATOM 0 HA GLU A 75 3.862 -14.210 -3.796 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.136 -12.064 -2.696 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.956 -13.064 -1.268 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.470 -13.660 -3.809 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.059 -13.653 -2.159 1.00 0.00 H new ATOM 1171 N GLY A 76 1.699 -14.686 -1.971 1.00 0.00 N ATOM 1172 CA GLY A 76 0.971 -15.525 -1.036 1.00 0.00 C ATOM 1173 C GLY A 76 1.073 -15.025 0.392 1.00 0.00 C ATOM 1174 O GLY A 76 0.860 -15.783 1.338 1.00 0.00 O ATOM 0 H GLY A 76 1.125 -14.249 -2.692 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.078 -15.566 -1.330 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.357 -16.543 -1.090 1.00 0.00 H new ATOM 1178 N GLU A 77 1.403 -13.747 0.547 1.00 0.00 N ATOM 1179 CA GLU A 77 1.536 -13.149 1.871 1.00 0.00 C ATOM 1180 C GLU A 77 0.548 -11.999 2.051 1.00 0.00 C ATOM 1181 O GLU A 77 0.451 -11.114 1.202 1.00 0.00 O ATOM 1182 CB GLU A 77 2.965 -12.646 2.087 1.00 0.00 C ATOM 1183 CG GLU A 77 3.901 -13.699 2.655 1.00 0.00 C ATOM 1184 CD GLU A 77 3.586 -14.042 4.098 1.00 0.00 C ATOM 1185 OE1 GLU A 77 2.743 -14.936 4.324 1.00 0.00 O ATOM 1186 OE2 GLU A 77 4.181 -13.418 5.001 1.00 0.00 O ATOM 0 H GLU A 77 1.583 -13.106 -0.226 1.00 0.00 H new ATOM 0 HA GLU A 77 1.313 -13.917 2.612 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.364 -12.292 1.137 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.942 -11.790 2.762 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.837 -14.602 2.048 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.928 -13.342 2.586 1.00 0.00 H new ATOM 1193 N GLU A 78 -0.181 -12.022 3.161 1.00 0.00 N ATOM 1194 CA GLU A 78 -1.163 -10.983 3.451 1.00 0.00 C ATOM 1195 C GLU A 78 -0.485 -9.626 3.618 1.00 0.00 C ATOM 1196 O GLU A 78 0.150 -9.361 4.638 1.00 0.00 O ATOM 1197 CB GLU A 78 -1.950 -11.333 4.716 1.00 0.00 C ATOM 1198 CG GLU A 78 -3.078 -12.322 4.478 1.00 0.00 C ATOM 1199 CD GLU A 78 -3.839 -12.657 5.746 1.00 0.00 C ATOM 1200 OE1 GLU A 78 -3.276 -13.372 6.602 1.00 0.00 O ATOM 1201 OE2 GLU A 78 -4.994 -12.204 5.883 1.00 0.00 O ATOM 0 H GLU A 78 -0.111 -12.748 3.874 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.852 -10.924 2.609 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.266 -11.747 5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.364 -10.418 5.141 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.769 -11.909 3.743 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.669 -13.238 4.052 1.00 0.00 H new ATOM 1208 N ILE A 79 -0.626 -8.773 2.610 1.00 0.00 N ATOM 1209 CA ILE A 79 -0.029 -7.444 2.644 1.00 0.00 C ATOM 1210 C ILE A 79 -1.038 -6.399 3.106 1.00 0.00 C ATOM 1211 O ILE A 79 -2.240 -6.539 2.876 1.00 0.00 O ATOM 1212 CB ILE A 79 0.520 -7.037 1.265 1.00 0.00 C ATOM 1213 CG1 ILE A 79 -0.602 -7.036 0.225 1.00 0.00 C ATOM 1214 CG2 ILE A 79 1.640 -7.976 0.841 1.00 0.00 C ATOM 1215 CD1 ILE A 79 -0.629 -5.790 -0.633 1.00 0.00 C ATOM 0 H ILE A 79 -1.149 -8.979 1.759 1.00 0.00 H new ATOM 0 HA ILE A 79 0.796 -7.488 3.355 1.00 0.00 H new ATOM 0 HB ILE A 79 0.926 -6.028 1.337 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.491 -7.908 -0.419 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.560 -7.137 0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.017 -7.674 -0.136 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.448 -7.932 1.571 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.258 -8.995 0.784 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.449 -5.858 -1.348 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.771 -4.915 0.001 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.314 -5.698 -1.171 1.00 0.00 H new ATOM 1227 N GLU A 80 -0.542 -5.350 3.755 1.00 0.00 N ATOM 1228 CA GLU A 80 -1.403 -4.281 4.247 1.00 0.00 C ATOM 1229 C GLU A 80 -0.903 -2.919 3.775 1.00 0.00 C ATOM 1230 O GLU A 80 0.277 -2.754 3.463 1.00 0.00 O ATOM 1231 CB GLU A 80 -1.468 -4.311 5.777 1.00 0.00 C ATOM 1232 CG GLU A 80 -2.823 -3.912 6.336 1.00 0.00 C ATOM 1233 CD GLU A 80 -2.983 -4.287 7.797 1.00 0.00 C ATOM 1234 OE1 GLU A 80 -2.013 -4.114 8.563 1.00 0.00 O ATOM 1235 OE2 GLU A 80 -4.080 -4.753 8.173 1.00 0.00 O ATOM 0 H GLU A 80 0.450 -5.218 3.952 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.403 -4.441 3.845 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.223 -5.315 6.123 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.707 -3.641 6.178 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.956 -2.836 6.224 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.609 -4.393 5.753 1.00 0.00 H new ATOM 1242 N ILE A 81 -1.807 -1.948 3.726 1.00 0.00 N ATOM 1243 CA ILE A 81 -1.458 -0.600 3.292 1.00 0.00 C ATOM 1244 C ILE A 81 -2.201 0.451 4.110 1.00 0.00 C ATOM 1245 O ILE A 81 -3.405 0.335 4.342 1.00 0.00 O ATOM 1246 CB ILE A 81 -1.772 -0.390 1.799 1.00 0.00 C ATOM 1247 CG1 ILE A 81 -1.202 -1.541 0.968 1.00 0.00 C ATOM 1248 CG2 ILE A 81 -1.213 0.943 1.322 1.00 0.00 C ATOM 1249 CD1 ILE A 81 -1.539 -1.449 -0.503 1.00 0.00 C ATOM 0 H ILE A 81 -2.787 -2.068 3.981 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.385 -0.486 3.448 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.854 -0.375 1.670 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.118 -1.560 1.084 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.581 -2.484 1.361 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.443 1.077 0.265 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.663 1.753 1.897 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.132 0.955 1.462 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.103 -2.297 -1.030 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.622 -1.461 -0.630 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.136 -0.522 -0.911 1.00 0.00 H new ATOM 1261 N VAL A 82 -1.477 1.478 4.542 1.00 0.00 N ATOM 1262 CA VAL A 82 -2.068 2.552 5.332 1.00 0.00 C ATOM 1263 C VAL A 82 -1.456 3.900 4.970 1.00 0.00 C ATOM 1264 O VAL A 82 -0.289 3.981 4.581 1.00 0.00 O ATOM 1265 CB VAL A 82 -1.886 2.304 6.841 1.00 0.00 C ATOM 1266 CG1 VAL A 82 -2.545 0.997 7.252 1.00 0.00 C ATOM 1267 CG2 VAL A 82 -0.409 2.304 7.205 1.00 0.00 C ATOM 0 H VAL A 82 -0.480 1.589 4.358 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.133 2.567 5.101 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.372 3.113 7.386 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.405 0.840 8.322 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.611 1.041 7.028 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.092 0.172 6.702 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.298 2.127 8.275 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.102 1.516 6.652 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.029 3.269 6.949 1.00 0.00 H new ATOM 1277 N LEU A 83 -2.248 4.958 5.103 1.00 0.00 N ATOM 1278 CA LEU A 83 -1.784 6.305 4.790 1.00 0.00 C ATOM 1279 C LEU A 83 -0.716 6.757 5.782 1.00 0.00 C ATOM 1280 O LEU A 83 -0.990 6.926 6.970 1.00 0.00 O ATOM 1281 CB LEU A 83 -2.958 7.286 4.806 1.00 0.00 C ATOM 1282 CG LEU A 83 -3.822 7.318 3.545 1.00 0.00 C ATOM 1283 CD1 LEU A 83 -5.238 7.764 3.880 1.00 0.00 C ATOM 1284 CD2 LEU A 83 -3.206 8.235 2.499 1.00 0.00 C ATOM 0 H LEU A 83 -3.214 4.909 5.425 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.345 6.289 3.793 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.597 7.043 5.655 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.566 8.288 4.979 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.868 6.310 3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.839 7.781 2.971 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.679 7.068 4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.211 8.763 4.316 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.835 8.245 1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.129 9.245 2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.212 7.872 2.237 1.00 0.00 H new ATOM 1296 N ALA A 84 0.501 6.952 5.286 1.00 0.00 N ATOM 1297 CA ALA A 84 1.608 7.388 6.126 1.00 0.00 C ATOM 1298 C ALA A 84 1.467 8.858 6.501 1.00 0.00 C ATOM 1299 O ALA A 84 1.752 9.746 5.697 1.00 0.00 O ATOM 1300 CB ALA A 84 2.934 7.146 5.419 1.00 0.00 C ATOM 0 H ALA A 84 0.745 6.815 4.305 1.00 0.00 H new ATOM 0 HA ALA A 84 1.587 6.803 7.045 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.753 7.476 6.058 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.045 6.082 5.208 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.955 7.706 4.484 1.00 0.00 H new