USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 614 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 THR OG1 : rot -39:sc= 0.883 USER MOD Set 1.2: A 31 THR OG1 : rot 79:sc= 0.593! USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.033 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.164 K(o=-0.16,f=-1.5!) USER MOD Single : A 29 HIS : no HD1:sc= -0.456 X(o=-0.46,f=-0.14) USER MOD Single : A 37 GLN : amide:sc= -2.58! C(o=-2.6!,f=-3.1!) USER MOD Single : A 38 TYR OH : rot 143:sc= -0.993 USER MOD Single : A 43 SER OG : rot -162:sc= -3.52! USER MOD Single : A 46 LYS NZ :NH3+ -156:sc= -0.261 (180deg=-0.542) USER MOD Single : A 65 THR OG1 : rot -150:sc= -0.996 USER MOD Single : A 67 ASN : amide:sc= -10.7! C(o=-11!,f=-18!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN :FLIP amide:sc= -0.383 F(o=-1.2,f=-0.38) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -5.72! C(o=-5.7!,f=-5.3!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN :FLIP amide:sc= -2.38 F(o=-4.3,f=-2.4) USER MOD ----------------------------------------------------------------- ATOM 215 N CYS A 14 12.558 -0.035 2.938 1.00 0.00 N ATOM 216 CA CYS A 14 12.332 1.048 3.929 1.00 0.00 C ATOM 217 C CYS A 14 11.269 0.608 4.939 1.00 0.00 C ATOM 218 O CYS A 14 10.192 0.182 4.572 1.00 0.00 O ATOM 219 CB CYS A 14 11.864 2.250 3.104 1.00 0.00 C ATOM 220 SG CYS A 14 13.287 3.310 2.746 1.00 0.00 S ATOM 0 HA CYS A 14 13.225 1.292 4.504 1.00 0.00 H new ATOM 0 HB2 CYS A 14 11.403 1.913 2.176 1.00 0.00 H new ATOM 0 HB3 CYS A 14 11.106 2.810 3.651 1.00 0.00 H new ATOM 225 N THR A 15 11.570 0.681 6.210 1.00 0.00 N ATOM 226 CA THR A 15 10.577 0.233 7.231 1.00 0.00 C ATOM 227 C THR A 15 10.123 1.391 8.127 1.00 0.00 C ATOM 228 O THR A 15 9.382 1.193 9.067 1.00 0.00 O ATOM 229 CB THR A 15 11.316 -0.819 8.058 1.00 0.00 C ATOM 230 OG1 THR A 15 12.684 -0.451 8.176 1.00 0.00 O ATOM 231 CG2 THR A 15 11.211 -2.181 7.369 1.00 0.00 C ATOM 0 H THR A 15 12.453 1.029 6.583 1.00 0.00 H new ATOM 0 HA THR A 15 9.673 -0.156 6.763 1.00 0.00 H new ATOM 0 HB THR A 15 10.868 -0.881 9.050 1.00 0.00 H new ATOM 0 HG1 THR A 15 13.159 -1.124 8.707 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.739 -2.929 7.960 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.162 -2.463 7.279 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.658 -2.122 6.376 1.00 0.00 H new ATOM 239 N GLY A 16 10.545 2.594 7.857 1.00 0.00 N ATOM 240 CA GLY A 16 10.100 3.726 8.719 1.00 0.00 C ATOM 241 C GLY A 16 8.575 3.854 8.621 1.00 0.00 C ATOM 242 O GLY A 16 7.847 2.968 9.023 1.00 0.00 O ATOM 0 H GLY A 16 11.169 2.842 7.089 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.398 3.553 9.753 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.577 4.653 8.401 1.00 0.00 H new ATOM 246 N LYS A 17 8.081 4.944 8.093 1.00 0.00 N ATOM 247 CA LYS A 17 6.602 5.107 7.977 1.00 0.00 C ATOM 248 C LYS A 17 6.245 5.679 6.599 1.00 0.00 C ATOM 249 O LYS A 17 7.113 6.026 5.823 1.00 0.00 O ATOM 250 CB LYS A 17 6.240 6.100 9.078 1.00 0.00 C ATOM 251 CG LYS A 17 5.536 5.365 10.217 1.00 0.00 C ATOM 252 CD LYS A 17 6.291 5.610 11.526 1.00 0.00 C ATOM 253 CE LYS A 17 7.690 4.995 11.431 1.00 0.00 C ATOM 254 NZ LYS A 17 8.124 4.809 12.844 1.00 0.00 N ATOM 0 H LYS A 17 8.635 5.724 7.739 1.00 0.00 H new ATOM 0 HA LYS A 17 6.065 4.164 8.079 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.139 6.591 9.449 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.592 6.881 8.679 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.507 5.713 10.308 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.494 4.297 10.004 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.365 6.680 11.721 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.745 5.171 12.361 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.669 4.046 10.896 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.374 5.650 10.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.076 4.391 12.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.141 5.730 13.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.458 4.176 13.331 1.00 0.00 H new ATOM 268 N PHE A 18 4.980 5.776 6.281 1.00 0.00 N ATOM 269 CA PHE A 18 4.600 6.320 4.946 1.00 0.00 C ATOM 270 C PHE A 18 3.493 7.368 5.054 1.00 0.00 C ATOM 271 O PHE A 18 2.560 7.233 5.821 1.00 0.00 O ATOM 272 CB PHE A 18 4.107 5.117 4.163 1.00 0.00 C ATOM 273 CG PHE A 18 5.296 4.347 3.660 1.00 0.00 C ATOM 274 CD1 PHE A 18 5.958 3.471 4.521 1.00 0.00 C ATOM 275 CD2 PHE A 18 5.747 4.519 2.346 1.00 0.00 C ATOM 276 CE1 PHE A 18 7.075 2.760 4.076 1.00 0.00 C ATOM 277 CE2 PHE A 18 6.868 3.810 1.899 1.00 0.00 C ATOM 278 CZ PHE A 18 7.532 2.929 2.765 1.00 0.00 C ATOM 0 H PHE A 18 4.202 5.505 6.882 1.00 0.00 H new ATOM 0 HA PHE A 18 5.442 6.820 4.468 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.487 4.483 4.796 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.485 5.439 3.328 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.606 3.342 5.534 1.00 0.00 H new ATOM 0 HD2 PHE A 18 5.232 5.196 1.680 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.585 2.081 4.743 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.222 3.941 0.887 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.396 2.381 2.420 1.00 0.00 H new ATOM 288 N LYS A 19 3.589 8.405 4.270 1.00 0.00 N ATOM 289 CA LYS A 19 2.547 9.466 4.289 1.00 0.00 C ATOM 290 C LYS A 19 1.711 9.375 3.013 1.00 0.00 C ATOM 291 O LYS A 19 2.218 9.545 1.924 1.00 0.00 O ATOM 292 CB LYS A 19 3.327 10.780 4.311 1.00 0.00 C ATOM 293 CG LYS A 19 2.347 11.955 4.294 1.00 0.00 C ATOM 294 CD LYS A 19 3.102 13.246 3.974 1.00 0.00 C ATOM 295 CE LYS A 19 3.090 13.481 2.461 1.00 0.00 C ATOM 296 NZ LYS A 19 2.774 14.928 2.300 1.00 0.00 N ATOM 0 H LYS A 19 4.352 8.563 3.612 1.00 0.00 H new ATOM 0 HA LYS A 19 1.870 9.377 5.139 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.954 10.828 5.201 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.992 10.835 3.449 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.569 11.782 3.550 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.850 12.042 5.260 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.638 14.088 4.488 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.128 13.179 4.335 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.054 13.235 2.015 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.343 12.857 1.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.748 15.167 1.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.848 15.131 2.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.505 15.498 2.772 1.00 0.00 H new ATOM 310 N VAL A 20 0.442 9.115 3.124 1.00 0.00 N ATOM 311 CA VAL A 20 -0.385 9.024 1.892 1.00 0.00 C ATOM 312 C VAL A 20 -0.316 10.359 1.144 1.00 0.00 C ATOM 313 O VAL A 20 -0.473 11.418 1.717 1.00 0.00 O ATOM 314 CB VAL A 20 -1.808 8.744 2.372 1.00 0.00 C ATOM 315 CG1 VAL A 20 -2.700 8.423 1.168 1.00 0.00 C ATOM 316 CG2 VAL A 20 -1.795 7.548 3.324 1.00 0.00 C ATOM 0 H VAL A 20 -0.054 8.963 4.002 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.042 8.245 1.211 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.196 9.621 2.890 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.715 8.223 1.510 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.708 9.272 0.484 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.312 7.545 0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.809 7.346 3.668 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.407 6.673 2.803 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.159 7.772 4.181 1.00 0.00 H new ATOM 326 N VAL A 21 -0.091 10.302 -0.132 1.00 0.00 N ATOM 327 CA VAL A 21 -0.017 11.535 -0.954 1.00 0.00 C ATOM 328 C VAL A 21 -1.306 11.611 -1.765 1.00 0.00 C ATOM 329 O VAL A 21 -1.766 12.666 -2.153 1.00 0.00 O ATOM 330 CB VAL A 21 1.218 11.318 -1.837 1.00 0.00 C ATOM 331 CG1 VAL A 21 1.376 12.463 -2.835 1.00 0.00 C ATOM 332 CG2 VAL A 21 2.464 11.260 -0.951 1.00 0.00 C ATOM 0 H VAL A 21 0.048 9.435 -0.652 1.00 0.00 H new ATOM 0 HA VAL A 21 0.074 12.466 -0.395 1.00 0.00 H new ATOM 0 HB VAL A 21 1.095 10.384 -2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.258 12.289 -3.451 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.493 12.515 -3.472 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.490 13.403 -2.295 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.346 11.106 -1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.565 12.197 -0.404 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.370 10.436 -0.244 1.00 0.00 H new ATOM 342 N LYS A 22 -1.909 10.470 -1.972 1.00 0.00 N ATOM 343 CA LYS A 22 -3.201 10.402 -2.700 1.00 0.00 C ATOM 344 C LYS A 22 -3.860 9.059 -2.386 1.00 0.00 C ATOM 345 O LYS A 22 -3.220 8.017 -2.393 1.00 0.00 O ATOM 346 CB LYS A 22 -2.871 10.521 -4.182 1.00 0.00 C ATOM 347 CG LYS A 22 -4.128 10.215 -4.998 1.00 0.00 C ATOM 348 CD LYS A 22 -3.741 9.430 -6.252 1.00 0.00 C ATOM 349 CE LYS A 22 -4.887 9.486 -7.265 1.00 0.00 C ATOM 350 NZ LYS A 22 -4.273 9.086 -8.562 1.00 0.00 N ATOM 0 H LYS A 22 -1.550 9.568 -1.659 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.890 11.195 -2.409 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.510 11.524 -4.408 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.072 9.828 -4.447 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.833 9.639 -4.398 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.629 11.142 -5.276 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.834 9.848 -6.690 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.522 8.394 -5.992 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.695 8.810 -6.985 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.315 10.487 -7.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.997 9.100 -9.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.512 9.752 -8.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.880 8.127 -8.479 1.00 0.00 H new ATOM 364 N GLU A 23 -5.130 9.087 -2.091 1.00 0.00 N ATOM 365 CA GLU A 23 -5.862 7.835 -1.737 1.00 0.00 C ATOM 366 C GLU A 23 -5.678 6.761 -2.805 1.00 0.00 C ATOM 367 O GLU A 23 -5.351 7.040 -3.941 1.00 0.00 O ATOM 368 CB GLU A 23 -7.330 8.250 -1.642 1.00 0.00 C ATOM 369 CG GLU A 23 -8.112 7.187 -0.869 1.00 0.00 C ATOM 370 CD GLU A 23 -9.450 7.770 -0.411 1.00 0.00 C ATOM 371 OE1 GLU A 23 -9.522 8.977 -0.248 1.00 0.00 O ATOM 372 OE2 GLU A 23 -10.380 7.000 -0.233 1.00 0.00 O ATOM 0 H GLU A 23 -5.700 9.933 -2.080 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.491 7.403 -0.807 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.415 9.215 -1.141 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.750 8.371 -2.641 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.280 6.314 -1.500 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.535 6.851 -0.007 1.00 0.00 H new ATOM 379 N ILE A 24 -5.891 5.528 -2.436 1.00 0.00 N ATOM 380 CA ILE A 24 -5.735 4.418 -3.413 1.00 0.00 C ATOM 381 C ILE A 24 -6.565 4.698 -4.668 1.00 0.00 C ATOM 382 O ILE A 24 -7.727 5.045 -4.598 1.00 0.00 O ATOM 383 CB ILE A 24 -6.238 3.160 -2.676 1.00 0.00 C ATOM 384 CG1 ILE A 24 -5.049 2.409 -2.079 1.00 0.00 C ATOM 385 CG2 ILE A 24 -6.971 2.222 -3.641 1.00 0.00 C ATOM 386 CD1 ILE A 24 -4.022 2.122 -3.181 1.00 0.00 C ATOM 0 H ILE A 24 -6.167 5.242 -1.497 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.704 4.297 -3.746 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.924 3.476 -1.890 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.592 3.001 -1.286 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.384 1.475 -1.627 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.317 1.341 -3.100 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.826 2.741 -4.074 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.292 1.915 -4.437 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.173 1.586 -2.757 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.483 1.513 -3.959 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.679 3.062 -3.612 1.00 0.00 H new ATOM 398 N ALA A 25 -5.975 4.521 -5.811 1.00 0.00 N ATOM 399 CA ALA A 25 -6.713 4.743 -7.076 1.00 0.00 C ATOM 400 C ALA A 25 -6.948 3.390 -7.742 1.00 0.00 C ATOM 401 O ALA A 25 -6.426 2.387 -7.305 1.00 0.00 O ATOM 402 CB ALA A 25 -5.796 5.618 -7.927 1.00 0.00 C ATOM 0 H ALA A 25 -5.004 4.229 -5.923 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.683 5.219 -6.932 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.276 5.826 -8.883 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.602 6.556 -7.407 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.854 5.098 -8.099 1.00 0.00 H new ATOM 408 N GLU A 26 -7.722 3.338 -8.786 1.00 0.00 N ATOM 409 CA GLU A 26 -7.961 2.024 -9.440 1.00 0.00 C ATOM 410 C GLU A 26 -7.416 2.028 -10.867 1.00 0.00 C ATOM 411 O GLU A 26 -7.616 2.962 -11.618 1.00 0.00 O ATOM 412 CB GLU A 26 -9.478 1.850 -9.440 1.00 0.00 C ATOM 413 CG GLU A 26 -10.138 3.138 -9.932 1.00 0.00 C ATOM 414 CD GLU A 26 -10.690 3.919 -8.737 1.00 0.00 C ATOM 415 OE1 GLU A 26 -9.954 4.099 -7.781 1.00 0.00 O ATOM 416 OE2 GLU A 26 -11.840 4.321 -8.798 1.00 0.00 O ATOM 0 H GLU A 26 -8.194 4.136 -9.211 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.459 1.209 -8.918 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.759 1.016 -10.083 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.827 1.610 -8.436 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.414 3.746 -10.474 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.942 2.903 -10.629 1.00 0.00 H new ATOM 423 N THR A 27 -6.724 0.988 -11.244 1.00 0.00 N ATOM 424 CA THR A 27 -6.161 0.936 -12.623 1.00 0.00 C ATOM 425 C THR A 27 -7.135 0.224 -13.567 1.00 0.00 C ATOM 426 O THR A 27 -8.155 -0.287 -13.150 1.00 0.00 O ATOM 427 CB THR A 27 -4.861 0.141 -12.492 1.00 0.00 C ATOM 428 OG1 THR A 27 -5.166 -1.239 -12.358 1.00 0.00 O ATOM 429 CG2 THR A 27 -4.087 0.619 -11.262 1.00 0.00 C ATOM 0 H THR A 27 -6.525 0.176 -10.660 1.00 0.00 H new ATOM 0 HA THR A 27 -5.990 1.930 -13.036 1.00 0.00 H new ATOM 0 HB THR A 27 -4.249 0.294 -13.381 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.957 -1.345 -11.790 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.161 0.051 -11.171 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.854 1.678 -11.368 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.694 0.469 -10.369 1.00 0.00 H new ATOM 437 N GLN A 28 -6.828 0.186 -14.835 1.00 0.00 N ATOM 438 CA GLN A 28 -7.739 -0.490 -15.801 1.00 0.00 C ATOM 439 C GLN A 28 -7.385 -1.976 -15.912 1.00 0.00 C ATOM 440 O GLN A 28 -7.552 -2.588 -16.948 1.00 0.00 O ATOM 441 CB GLN A 28 -7.502 0.219 -17.135 1.00 0.00 C ATOM 442 CG GLN A 28 -6.020 0.135 -17.504 1.00 0.00 C ATOM 443 CD GLN A 28 -5.883 -0.232 -18.983 1.00 0.00 C ATOM 444 OE1 GLN A 28 -6.784 -0.003 -19.764 1.00 0.00 O ATOM 445 NE2 GLN A 28 -4.783 -0.795 -19.404 1.00 0.00 N ATOM 0 H GLN A 28 -5.987 0.593 -15.243 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.782 -0.435 -15.491 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -8.108 -0.241 -17.916 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -7.811 1.262 -17.064 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.531 1.089 -17.308 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.522 -0.611 -16.885 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.026 -0.988 -18.749 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.681 -1.042 -20.388 1.00 0.00 H new ATOM 454 N HIS A 29 -6.898 -2.560 -14.851 1.00 0.00 N ATOM 455 CA HIS A 29 -6.535 -4.006 -14.896 1.00 0.00 C ATOM 456 C HIS A 29 -7.076 -4.725 -13.658 1.00 0.00 C ATOM 457 O HIS A 29 -6.800 -5.886 -13.432 1.00 0.00 O ATOM 458 CB HIS A 29 -5.007 -4.030 -14.902 1.00 0.00 C ATOM 459 CG HIS A 29 -4.510 -4.114 -16.319 1.00 0.00 C ATOM 460 ND1 HIS A 29 -3.167 -3.983 -16.638 1.00 0.00 N ATOM 461 CD2 HIS A 29 -5.161 -4.313 -17.511 1.00 0.00 C ATOM 462 CE1 HIS A 29 -3.054 -4.104 -17.974 1.00 0.00 C ATOM 463 NE2 HIS A 29 -4.240 -4.306 -18.555 1.00 0.00 N ATOM 0 H HIS A 29 -6.736 -2.099 -13.956 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.955 -4.510 -15.766 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.617 -3.133 -14.422 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.644 -4.882 -14.327 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.226 -4.454 -17.622 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -2.119 -4.045 -18.511 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -4.430 -4.429 -19.550 1.00 0.00 H new ATOM 471 N GLY A 30 -7.836 -4.038 -12.850 1.00 0.00 N ATOM 472 CA GLY A 30 -8.385 -4.677 -11.621 1.00 0.00 C ATOM 473 C GLY A 30 -7.477 -4.348 -10.436 1.00 0.00 C ATOM 474 O GLY A 30 -7.707 -4.780 -9.324 1.00 0.00 O ATOM 0 H GLY A 30 -8.100 -3.063 -12.988 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.396 -4.318 -11.430 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.450 -5.757 -11.756 1.00 0.00 H new ATOM 478 N THR A 31 -6.442 -3.585 -10.666 1.00 0.00 N ATOM 479 CA THR A 31 -5.513 -3.226 -9.558 1.00 0.00 C ATOM 480 C THR A 31 -5.895 -1.874 -8.962 1.00 0.00 C ATOM 481 O THR A 31 -6.860 -1.250 -9.358 1.00 0.00 O ATOM 482 CB THR A 31 -4.128 -3.132 -10.205 1.00 0.00 C ATOM 483 OG1 THR A 31 -4.252 -3.242 -11.616 1.00 0.00 O ATOM 484 CG2 THR A 31 -3.247 -4.264 -9.681 1.00 0.00 C ATOM 0 H THR A 31 -6.200 -3.194 -11.577 1.00 0.00 H new ATOM 0 HA THR A 31 -5.545 -3.960 -8.752 1.00 0.00 H new ATOM 0 HB THR A 31 -3.676 -2.172 -9.957 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.547 -2.384 -11.986 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.260 -4.200 -10.140 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.150 -4.178 -8.599 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.701 -5.223 -9.930 1.00 0.00 H new ATOM 492 N ILE A 32 -5.121 -1.412 -8.026 1.00 0.00 N ATOM 493 CA ILE A 32 -5.394 -0.087 -7.400 1.00 0.00 C ATOM 494 C ILE A 32 -4.063 0.612 -7.190 1.00 0.00 C ATOM 495 O ILE A 32 -3.041 -0.023 -7.080 1.00 0.00 O ATOM 496 CB ILE A 32 -6.091 -0.325 -6.051 1.00 0.00 C ATOM 497 CG1 ILE A 32 -6.246 -1.820 -5.759 1.00 0.00 C ATOM 498 CG2 ILE A 32 -7.473 0.325 -6.091 1.00 0.00 C ATOM 499 CD1 ILE A 32 -6.301 -2.042 -4.245 1.00 0.00 C ATOM 0 H ILE A 32 -4.302 -1.898 -7.662 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.035 0.530 -8.030 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.480 0.113 -5.262 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.154 -2.200 -6.226 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.411 -2.374 -6.188 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.979 0.163 -5.139 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.367 1.395 -6.268 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.061 -0.119 -6.894 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.411 -3.106 -4.037 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.380 -1.677 -3.790 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.151 -1.501 -3.829 1.00 0.00 H new ATOM 511 N VAL A 33 -4.052 1.905 -7.166 1.00 0.00 N ATOM 512 CA VAL A 33 -2.756 2.614 -7.009 1.00 0.00 C ATOM 513 C VAL A 33 -2.712 3.471 -5.745 1.00 0.00 C ATOM 514 O VAL A 33 -3.607 4.242 -5.470 1.00 0.00 O ATOM 515 CB VAL A 33 -2.682 3.492 -8.245 1.00 0.00 C ATOM 516 CG1 VAL A 33 -1.508 4.458 -8.112 1.00 0.00 C ATOM 517 CG2 VAL A 33 -2.497 2.604 -9.476 1.00 0.00 C ATOM 0 H VAL A 33 -4.875 2.503 -7.247 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.922 1.919 -6.912 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.602 4.067 -8.350 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.454 5.089 -8.999 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.649 5.083 -7.230 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.581 3.893 -8.012 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.443 3.227 -10.369 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.575 2.031 -9.376 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.341 1.920 -9.561 1.00 0.00 H new ATOM 527 N ILE A 34 -1.655 3.359 -4.987 1.00 0.00 N ATOM 528 CA ILE A 34 -1.532 4.182 -3.764 1.00 0.00 C ATOM 529 C ILE A 34 -0.385 5.167 -3.925 1.00 0.00 C ATOM 530 O ILE A 34 0.747 4.785 -4.116 1.00 0.00 O ATOM 531 CB ILE A 34 -1.277 3.185 -2.627 1.00 0.00 C ATOM 532 CG1 ILE A 34 -2.088 3.638 -1.430 1.00 0.00 C ATOM 533 CG2 ILE A 34 0.211 3.135 -2.243 1.00 0.00 C ATOM 534 CD1 ILE A 34 -1.457 4.897 -0.848 1.00 0.00 C ATOM 0 H ILE A 34 -0.873 2.730 -5.168 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.423 4.776 -3.561 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.567 2.186 -2.952 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.118 3.836 -1.727 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.119 2.850 -0.677 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.354 2.418 -1.434 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.800 2.829 -3.108 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.535 4.122 -1.914 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.036 5.229 0.014 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.435 4.681 -0.538 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.449 5.683 -1.604 1.00 0.00 H new ATOM 546 N ARG A 35 -0.666 6.424 -3.838 1.00 0.00 N ATOM 547 CA ARG A 35 0.415 7.425 -3.983 1.00 0.00 C ATOM 548 C ARG A 35 0.738 7.982 -2.602 1.00 0.00 C ATOM 549 O ARG A 35 -0.054 8.677 -1.998 1.00 0.00 O ATOM 550 CB ARG A 35 -0.154 8.481 -4.941 1.00 0.00 C ATOM 551 CG ARG A 35 0.245 9.893 -4.498 1.00 0.00 C ATOM 552 CD ARG A 35 0.131 10.851 -5.686 1.00 0.00 C ATOM 553 NE ARG A 35 1.464 10.797 -6.349 1.00 0.00 N ATOM 554 CZ ARG A 35 1.709 11.543 -7.393 1.00 0.00 C ATOM 555 NH1 ARG A 35 0.788 12.342 -7.861 1.00 0.00 N ATOM 556 NH2 ARG A 35 2.879 11.490 -7.970 1.00 0.00 N ATOM 0 H ARG A 35 -1.597 6.806 -3.673 1.00 0.00 H new ATOM 0 HA ARG A 35 1.349 7.029 -4.382 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.211 8.296 -5.951 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.240 8.399 -4.975 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.400 10.227 -3.685 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.266 9.891 -4.115 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.662 10.543 -6.367 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.106 11.863 -5.357 1.00 0.00 H new ATOM 0 HE ARG A 35 2.187 10.176 -5.987 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.126 12.385 -7.411 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.983 12.923 -8.676 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.600 10.867 -7.605 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.072 12.072 -8.785 1.00 0.00 H new ATOM 570 N VAL A 36 1.890 7.665 -2.090 1.00 0.00 N ATOM 571 CA VAL A 36 2.255 8.151 -0.751 1.00 0.00 C ATOM 572 C VAL A 36 3.646 8.717 -0.790 1.00 0.00 C ATOM 573 O VAL A 36 4.222 8.904 -1.834 1.00 0.00 O ATOM 574 CB VAL A 36 2.176 6.930 0.175 1.00 0.00 C ATOM 575 CG1 VAL A 36 0.991 6.054 -0.225 1.00 0.00 C ATOM 576 CG2 VAL A 36 3.467 6.108 0.075 1.00 0.00 C ATOM 0 H VAL A 36 2.593 7.087 -2.550 1.00 0.00 H new ATOM 0 HA VAL A 36 1.593 8.943 -0.399 1.00 0.00 H new ATOM 0 HB VAL A 36 2.047 7.276 1.201 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.939 5.188 0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.069 6.629 -0.142 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.118 5.718 -1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.400 5.244 0.736 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.604 5.769 -0.952 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.315 6.726 0.370 1.00 0.00 H new ATOM 586 N GLN A 37 4.176 8.996 0.342 1.00 0.00 N ATOM 587 CA GLN A 37 5.527 9.562 0.406 1.00 0.00 C ATOM 588 C GLN A 37 6.271 8.850 1.523 1.00 0.00 C ATOM 589 O GLN A 37 5.777 8.734 2.625 1.00 0.00 O ATOM 590 CB GLN A 37 5.276 11.023 0.734 1.00 0.00 C ATOM 591 CG GLN A 37 6.607 11.754 0.915 1.00 0.00 C ATOM 592 CD GLN A 37 6.368 13.087 1.622 1.00 0.00 C ATOM 593 OE1 GLN A 37 6.031 14.071 0.994 1.00 0.00 O ATOM 594 NE2 GLN A 37 6.530 13.165 2.915 1.00 0.00 N ATOM 0 H GLN A 37 3.724 8.854 1.245 1.00 0.00 H new ATOM 0 HA GLN A 37 6.123 9.455 -0.500 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.701 11.490 -0.065 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.681 11.103 1.644 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.294 11.140 1.497 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.075 11.924 -0.055 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.813 12.340 3.444 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.374 14.051 3.396 1.00 0.00 H new ATOM 603 N TYR A 38 7.431 8.335 1.259 1.00 0.00 N ATOM 604 CA TYR A 38 8.133 7.600 2.347 1.00 0.00 C ATOM 605 C TYR A 38 8.412 8.526 3.529 1.00 0.00 C ATOM 606 O TYR A 38 9.123 9.502 3.419 1.00 0.00 O ATOM 607 CB TYR A 38 9.442 7.090 1.754 1.00 0.00 C ATOM 608 CG TYR A 38 10.182 6.316 2.822 1.00 0.00 C ATOM 609 CD1 TYR A 38 9.490 5.417 3.642 1.00 0.00 C ATOM 610 CD2 TYR A 38 11.557 6.501 2.996 1.00 0.00 C ATOM 611 CE1 TYR A 38 10.176 4.706 4.635 1.00 0.00 C ATOM 612 CE2 TYR A 38 12.243 5.791 3.986 1.00 0.00 C ATOM 613 CZ TYR A 38 11.552 4.893 4.807 1.00 0.00 C ATOM 614 OH TYR A 38 12.227 4.192 5.786 1.00 0.00 O ATOM 0 H TYR A 38 7.917 8.385 0.364 1.00 0.00 H new ATOM 0 HA TYR A 38 7.521 6.778 2.718 1.00 0.00 H new ATOM 0 HB2 TYR A 38 9.245 6.453 0.892 1.00 0.00 H new ATOM 0 HB3 TYR A 38 10.049 7.924 1.401 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.428 5.272 3.509 1.00 0.00 H new ATOM 0 HD2 TYR A 38 12.091 7.195 2.364 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.642 4.013 5.268 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.305 5.936 4.117 1.00 0.00 H new ATOM 0 HH TYR A 38 13.117 3.946 5.458 1.00 0.00 H new ATOM 624 N GLU A 39 7.863 8.209 4.666 1.00 0.00 N ATOM 625 CA GLU A 39 8.099 9.048 5.873 1.00 0.00 C ATOM 626 C GLU A 39 9.216 8.426 6.711 1.00 0.00 C ATOM 627 O GLU A 39 9.593 8.937 7.746 1.00 0.00 O ATOM 628 CB GLU A 39 6.780 9.015 6.642 1.00 0.00 C ATOM 629 CG GLU A 39 5.939 10.237 6.267 1.00 0.00 C ATOM 630 CD GLU A 39 6.618 11.504 6.789 1.00 0.00 C ATOM 631 OE1 GLU A 39 6.416 11.826 7.948 1.00 0.00 O ATOM 632 OE2 GLU A 39 7.328 12.132 6.021 1.00 0.00 O ATOM 0 H GLU A 39 7.258 7.401 4.813 1.00 0.00 H new ATOM 0 HA GLU A 39 8.398 10.066 5.626 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.235 8.100 6.410 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.972 9.008 7.715 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.823 10.293 5.185 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.939 10.147 6.690 1.00 0.00 H new ATOM 639 N GLY A 40 9.739 7.317 6.267 1.00 0.00 N ATOM 640 CA GLY A 40 10.822 6.643 7.025 1.00 0.00 C ATOM 641 C GLY A 40 12.179 7.094 6.502 1.00 0.00 C ATOM 642 O GLY A 40 12.300 8.103 5.836 1.00 0.00 O ATOM 0 H GLY A 40 9.459 6.848 5.406 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.735 6.877 8.086 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.727 5.561 6.929 1.00 0.00 H new ATOM 646 N ASP A 41 13.204 6.346 6.795 1.00 0.00 N ATOM 647 CA ASP A 41 14.562 6.718 6.312 1.00 0.00 C ATOM 648 C ASP A 41 15.199 5.534 5.586 1.00 0.00 C ATOM 649 O ASP A 41 15.148 4.412 6.048 1.00 0.00 O ATOM 650 CB ASP A 41 15.352 7.066 7.575 1.00 0.00 C ATOM 651 CG ASP A 41 15.667 5.784 8.348 1.00 0.00 C ATOM 652 OD1 ASP A 41 16.512 5.032 7.890 1.00 0.00 O ATOM 653 OD2 ASP A 41 15.061 5.578 9.386 1.00 0.00 O ATOM 0 H ASP A 41 13.160 5.491 7.349 1.00 0.00 H new ATOM 0 HA ASP A 41 14.540 7.550 5.608 1.00 0.00 H new ATOM 0 HB2 ASP A 41 16.276 7.580 7.309 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.777 7.749 8.200 1.00 0.00 H new ATOM 658 N GLY A 42 15.796 5.768 4.449 1.00 0.00 N ATOM 659 CA GLY A 42 16.428 4.641 3.707 1.00 0.00 C ATOM 660 C GLY A 42 16.889 5.098 2.321 1.00 0.00 C ATOM 661 O GLY A 42 17.762 4.496 1.727 1.00 0.00 O ATOM 0 H GLY A 42 15.873 6.683 4.005 1.00 0.00 H new ATOM 0 HA2 GLY A 42 17.279 4.259 4.271 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.717 3.821 3.607 1.00 0.00 H new ATOM 665 N SER A 43 16.318 6.148 1.783 1.00 0.00 N ATOM 666 CA SER A 43 16.750 6.599 0.429 1.00 0.00 C ATOM 667 C SER A 43 16.401 5.490 -0.577 1.00 0.00 C ATOM 668 O SER A 43 15.505 4.721 -0.310 1.00 0.00 O ATOM 669 CB SER A 43 18.253 6.799 0.583 1.00 0.00 C ATOM 670 OG SER A 43 18.682 7.869 -0.248 1.00 0.00 O ATOM 0 H SER A 43 15.582 6.704 2.218 1.00 0.00 H new ATOM 0 HA SER A 43 16.271 7.509 0.067 1.00 0.00 H new ATOM 0 HB2 SER A 43 18.496 7.014 1.624 1.00 0.00 H new ATOM 0 HB3 SER A 43 18.781 5.884 0.315 1.00 0.00 H new ATOM 0 HG SER A 43 19.653 7.818 -0.373 1.00 0.00 H new ATOM 676 N PRO A 44 17.097 5.414 -1.695 1.00 0.00 N ATOM 677 CA PRO A 44 16.788 4.349 -2.676 1.00 0.00 C ATOM 678 C PRO A 44 16.554 3.036 -1.930 1.00 0.00 C ATOM 679 O PRO A 44 17.474 2.318 -1.595 1.00 0.00 O ATOM 680 CB PRO A 44 18.032 4.301 -3.552 1.00 0.00 C ATOM 681 CG PRO A 44 18.576 5.693 -3.498 1.00 0.00 C ATOM 682 CD PRO A 44 18.198 6.268 -2.154 1.00 0.00 C ATOM 0 HA PRO A 44 15.890 4.525 -3.268 1.00 0.00 H new ATOM 0 HB2 PRO A 44 18.755 3.577 -3.177 1.00 0.00 H new ATOM 0 HB3 PRO A 44 17.788 4.009 -4.573 1.00 0.00 H new ATOM 0 HG2 PRO A 44 19.659 5.688 -3.624 1.00 0.00 H new ATOM 0 HG3 PRO A 44 18.164 6.299 -4.305 1.00 0.00 H new ATOM 0 HD2 PRO A 44 19.038 6.243 -1.460 1.00 0.00 H new ATOM 0 HD3 PRO A 44 17.886 7.309 -2.239 1.00 0.00 H new ATOM 690 N CYS A 45 15.318 2.748 -1.639 1.00 0.00 N ATOM 691 CA CYS A 45 14.980 1.521 -0.880 1.00 0.00 C ATOM 692 C CYS A 45 13.619 1.003 -1.327 1.00 0.00 C ATOM 693 O CYS A 45 12.970 1.597 -2.157 1.00 0.00 O ATOM 694 CB CYS A 45 14.910 1.986 0.566 1.00 0.00 C ATOM 695 SG CYS A 45 13.536 3.150 0.750 1.00 0.00 S ATOM 0 H CYS A 45 14.517 3.322 -1.901 1.00 0.00 H new ATOM 0 HA CYS A 45 15.701 0.717 -1.027 1.00 0.00 H new ATOM 0 HB2 CYS A 45 14.770 1.132 1.229 1.00 0.00 H new ATOM 0 HB3 CYS A 45 15.847 2.463 0.853 1.00 0.00 H new ATOM 700 N LYS A 46 13.172 -0.093 -0.787 1.00 0.00 N ATOM 701 CA LYS A 46 11.849 -0.621 -1.214 1.00 0.00 C ATOM 702 C LYS A 46 10.736 -0.176 -0.262 1.00 0.00 C ATOM 703 O LYS A 46 10.977 0.482 0.729 1.00 0.00 O ATOM 704 CB LYS A 46 12.007 -2.139 -1.210 1.00 0.00 C ATOM 705 CG LYS A 46 12.114 -2.643 -2.649 1.00 0.00 C ATOM 706 CD LYS A 46 12.762 -4.029 -2.656 1.00 0.00 C ATOM 707 CE LYS A 46 14.110 -3.967 -1.936 1.00 0.00 C ATOM 708 NZ LYS A 46 13.895 -4.696 -0.655 1.00 0.00 N ATOM 0 H LYS A 46 13.658 -0.641 -0.077 1.00 0.00 H new ATOM 0 HA LYS A 46 11.562 -0.245 -2.196 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.897 -2.421 -0.647 1.00 0.00 H new ATOM 0 HB3 LYS A 46 11.155 -2.603 -0.713 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.125 -2.690 -3.104 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.707 -1.949 -3.246 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.108 -4.750 -2.165 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.901 -4.372 -3.681 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.896 -4.434 -2.529 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.415 -2.936 -1.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.587 -4.370 0.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.933 -4.510 -0.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.015 -5.717 -0.812 1.00 0.00 H new ATOM 722 N ILE A 47 9.509 -0.494 -0.586 1.00 0.00 N ATOM 723 CA ILE A 47 8.370 -0.046 0.266 1.00 0.00 C ATOM 724 C ILE A 47 7.528 -1.219 0.790 1.00 0.00 C ATOM 725 O ILE A 47 7.123 -2.080 0.035 1.00 0.00 O ATOM 726 CB ILE A 47 7.532 0.802 -0.681 1.00 0.00 C ATOM 727 CG1 ILE A 47 8.451 1.791 -1.395 1.00 0.00 C ATOM 728 CG2 ILE A 47 6.466 1.563 0.107 1.00 0.00 C ATOM 729 CD1 ILE A 47 8.963 2.809 -0.381 1.00 0.00 C ATOM 0 H ILE A 47 9.248 -1.045 -1.404 1.00 0.00 H new ATOM 0 HA ILE A 47 8.719 0.482 1.153 1.00 0.00 H new ATOM 0 HB ILE A 47 7.037 0.161 -1.411 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.287 1.264 -1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.912 2.296 -2.197 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.870 2.168 -0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.818 0.853 0.622 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.948 2.211 0.839 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.621 3.521 -0.880 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.119 3.341 0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.516 2.294 0.405 1.00 0.00 H new ATOM 741 N PRO A 48 7.267 -1.185 2.073 1.00 0.00 N ATOM 742 CA PRO A 48 6.429 -2.228 2.728 1.00 0.00 C ATOM 743 C PRO A 48 4.979 -2.150 2.234 1.00 0.00 C ATOM 744 O PRO A 48 4.452 -1.081 1.997 1.00 0.00 O ATOM 745 CB PRO A 48 6.481 -1.852 4.209 1.00 0.00 C ATOM 746 CG PRO A 48 7.658 -0.943 4.336 1.00 0.00 C ATOM 747 CD PRO A 48 7.731 -0.193 3.042 1.00 0.00 C ATOM 0 HA PRO A 48 6.782 -3.238 2.518 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.563 -1.355 4.522 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.595 -2.736 4.837 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.537 -0.261 5.178 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.573 -1.509 4.513 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.096 0.693 3.051 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.745 0.143 2.825 1.00 0.00 H new ATOM 755 N PHE A 49 4.333 -3.272 2.083 1.00 0.00 N ATOM 756 CA PHE A 49 2.922 -3.268 1.613 1.00 0.00 C ATOM 757 C PHE A 49 2.188 -4.509 2.129 1.00 0.00 C ATOM 758 O PHE A 49 2.797 -5.503 2.470 1.00 0.00 O ATOM 759 CB PHE A 49 3.041 -3.321 0.102 1.00 0.00 C ATOM 760 CG PHE A 49 1.804 -2.715 -0.522 1.00 0.00 C ATOM 761 CD1 PHE A 49 0.688 -3.518 -0.797 1.00 0.00 C ATOM 762 CD2 PHE A 49 1.768 -1.346 -0.818 1.00 0.00 C ATOM 763 CE1 PHE A 49 -0.459 -2.951 -1.367 1.00 0.00 C ATOM 764 CE2 PHE A 49 0.621 -0.782 -1.388 1.00 0.00 C ATOM 765 CZ PHE A 49 -0.492 -1.585 -1.662 1.00 0.00 C ATOM 0 H PHE A 49 4.725 -4.196 2.266 1.00 0.00 H new ATOM 0 HA PHE A 49 2.362 -2.401 1.964 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.929 -2.778 -0.223 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.160 -4.353 -0.228 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.713 -4.573 -0.569 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.626 -0.725 -0.606 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.319 -3.570 -1.579 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.595 0.273 -1.616 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.377 -1.149 -2.102 1.00 0.00 H new ATOM 775 N GLU A 50 0.884 -4.466 2.183 1.00 0.00 N ATOM 776 CA GLU A 50 0.122 -5.653 2.668 1.00 0.00 C ATOM 777 C GLU A 50 -1.383 -5.430 2.486 1.00 0.00 C ATOM 778 O GLU A 50 -1.983 -4.603 3.142 1.00 0.00 O ATOM 779 CB GLU A 50 0.480 -5.776 4.150 1.00 0.00 C ATOM 780 CG GLU A 50 -0.535 -6.683 4.850 1.00 0.00 C ATOM 781 CD GLU A 50 0.142 -7.402 6.018 1.00 0.00 C ATOM 782 OE1 GLU A 50 0.185 -6.829 7.094 1.00 0.00 O ATOM 783 OE2 GLU A 50 0.606 -8.512 5.817 1.00 0.00 O ATOM 0 H GLU A 50 0.315 -3.664 1.913 1.00 0.00 H new ATOM 0 HA GLU A 50 0.372 -6.559 2.116 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.484 -6.185 4.259 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.485 -4.791 4.616 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.377 -6.093 5.212 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.935 -7.411 4.144 1.00 0.00 H new ATOM 790 N ILE A 51 -1.996 -6.163 1.596 1.00 0.00 N ATOM 791 CA ILE A 51 -3.460 -5.994 1.369 1.00 0.00 C ATOM 792 C ILE A 51 -4.247 -7.023 2.184 1.00 0.00 C ATOM 793 O ILE A 51 -4.833 -7.941 1.644 1.00 0.00 O ATOM 794 CB ILE A 51 -3.657 -6.235 -0.128 1.00 0.00 C ATOM 795 CG1 ILE A 51 -2.779 -5.262 -0.919 1.00 0.00 C ATOM 796 CG2 ILE A 51 -5.125 -6.006 -0.493 1.00 0.00 C ATOM 797 CD1 ILE A 51 -2.887 -5.574 -2.413 1.00 0.00 C ATOM 0 H ILE A 51 -1.546 -6.872 1.016 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.813 -5.010 1.676 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.377 -7.260 -0.371 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.092 -4.236 -0.728 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.742 -5.345 -0.594 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.266 -6.178 -1.560 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.752 -6.696 0.071 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.405 -4.981 -0.251 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.262 -4.881 -2.976 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.553 -6.595 -2.597 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.924 -5.469 -2.733 1.00 0.00 H new ATOM 970 N GLY A 61 -5.179 -10.808 -2.246 1.00 0.00 N ATOM 971 CA GLY A 61 -4.702 -9.533 -2.856 1.00 0.00 C ATOM 972 C GLY A 61 -3.363 -9.781 -3.552 1.00 0.00 C ATOM 973 O GLY A 61 -2.800 -10.854 -3.466 1.00 0.00 O ATOM 0 HA2 GLY A 61 -5.435 -9.162 -3.572 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.590 -8.767 -2.088 1.00 0.00 H new ATOM 977 N ARG A 62 -2.845 -8.802 -4.242 1.00 0.00 N ATOM 978 CA ARG A 62 -1.545 -8.995 -4.939 1.00 0.00 C ATOM 979 C ARG A 62 -0.908 -7.642 -5.214 1.00 0.00 C ATOM 980 O ARG A 62 -1.545 -6.614 -5.106 1.00 0.00 O ATOM 981 CB ARG A 62 -1.896 -9.683 -6.253 1.00 0.00 C ATOM 982 CG ARG A 62 -1.033 -10.934 -6.414 1.00 0.00 C ATOM 983 CD ARG A 62 -0.087 -10.752 -7.603 1.00 0.00 C ATOM 984 NE ARG A 62 -0.742 -11.472 -8.730 1.00 0.00 N ATOM 985 CZ ARG A 62 -0.047 -11.821 -9.779 1.00 0.00 C ATOM 986 NH1 ARG A 62 1.227 -11.543 -9.844 1.00 0.00 N ATOM 987 NH2 ARG A 62 -0.626 -12.452 -10.763 1.00 0.00 N ATOM 0 H ARG A 62 -3.266 -7.879 -4.352 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.840 -9.580 -4.348 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.952 -9.952 -6.265 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.730 -9.003 -7.089 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.460 -11.113 -5.504 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.666 -11.808 -6.570 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.054 -9.697 -7.837 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.899 -11.166 -7.390 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.737 -11.693 -8.682 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.682 -11.052 -9.074 1.00 0.00 H new ATOM 0 HH12 ARG A 62 1.768 -11.817 -10.665 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.621 -12.672 -10.713 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.084 -12.725 -11.583 1.00 0.00 H new ATOM 1001 N LEU A 63 0.340 -7.623 -5.574 1.00 0.00 N ATOM 1002 CA LEU A 63 0.980 -6.322 -5.854 1.00 0.00 C ATOM 1003 C LEU A 63 1.580 -6.296 -7.258 1.00 0.00 C ATOM 1004 O LEU A 63 2.429 -7.093 -7.602 1.00 0.00 O ATOM 1005 CB LEU A 63 2.066 -6.168 -4.794 1.00 0.00 C ATOM 1006 CG LEU A 63 1.496 -5.390 -3.609 1.00 0.00 C ATOM 1007 CD1 LEU A 63 2.546 -5.301 -2.511 1.00 0.00 C ATOM 1008 CD2 LEU A 63 1.118 -3.978 -4.053 1.00 0.00 C ATOM 0 H LEU A 63 0.936 -8.443 -5.685 1.00 0.00 H new ATOM 0 HA LEU A 63 0.260 -5.504 -5.817 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.416 -7.148 -4.468 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.927 -5.644 -5.210 1.00 0.00 H new ATOM 0 HG LEU A 63 0.611 -5.904 -3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.141 -4.746 -1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.821 -6.305 -2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.429 -4.788 -2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.712 -3.426 -3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.004 -3.465 -4.429 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.368 -4.033 -4.842 1.00 0.00 H new ATOM 1020 N ILE A 64 1.161 -5.357 -8.055 1.00 0.00 N ATOM 1021 CA ILE A 64 1.716 -5.233 -9.428 1.00 0.00 C ATOM 1022 C ILE A 64 2.995 -4.415 -9.321 1.00 0.00 C ATOM 1023 O ILE A 64 3.885 -4.485 -10.146 1.00 0.00 O ATOM 1024 CB ILE A 64 0.651 -4.466 -10.218 1.00 0.00 C ATOM 1025 CG1 ILE A 64 -0.535 -5.386 -10.539 1.00 0.00 C ATOM 1026 CG2 ILE A 64 1.259 -3.953 -11.523 1.00 0.00 C ATOM 1027 CD1 ILE A 64 -1.085 -6.004 -9.253 1.00 0.00 C ATOM 0 H ILE A 64 0.452 -4.665 -7.812 1.00 0.00 H new ATOM 0 HA ILE A 64 1.944 -6.186 -9.906 1.00 0.00 H new ATOM 0 HB ILE A 64 0.299 -3.627 -9.617 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.318 -4.820 -11.043 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.219 -6.173 -11.224 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.503 -3.407 -12.087 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.094 -3.289 -11.299 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.614 -4.796 -12.115 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.926 -6.655 -9.493 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.303 -6.586 -8.766 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.419 -5.212 -8.583 1.00 0.00 H new ATOM 1039 N THR A 65 3.070 -3.642 -8.277 1.00 0.00 N ATOM 1040 CA THR A 65 4.250 -2.789 -8.017 1.00 0.00 C ATOM 1041 C THR A 65 5.017 -3.386 -6.834 1.00 0.00 C ATOM 1042 O THR A 65 5.547 -2.697 -5.986 1.00 0.00 O ATOM 1043 CB THR A 65 3.609 -1.446 -7.672 1.00 0.00 C ATOM 1044 OG1 THR A 65 3.238 -0.782 -8.871 1.00 0.00 O ATOM 1045 CG2 THR A 65 4.567 -0.565 -6.884 1.00 0.00 C ATOM 0 H THR A 65 2.336 -3.567 -7.573 1.00 0.00 H new ATOM 0 HA THR A 65 4.964 -2.702 -8.836 1.00 0.00 H new ATOM 0 HB THR A 65 2.730 -1.633 -7.056 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.283 0.188 -8.735 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.083 0.384 -6.653 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.843 -1.067 -5.956 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.463 -0.380 -7.477 1.00 0.00 H new ATOM 1053 N VAL A 66 5.053 -4.686 -6.780 1.00 0.00 N ATOM 1054 CA VAL A 66 5.751 -5.388 -5.667 1.00 0.00 C ATOM 1055 C VAL A 66 7.033 -4.659 -5.277 1.00 0.00 C ATOM 1056 O VAL A 66 7.656 -3.995 -6.082 1.00 0.00 O ATOM 1057 CB VAL A 66 6.073 -6.778 -6.217 1.00 0.00 C ATOM 1058 CG1 VAL A 66 7.096 -7.465 -5.308 1.00 0.00 C ATOM 1059 CG2 VAL A 66 4.794 -7.614 -6.265 1.00 0.00 C ATOM 0 H VAL A 66 4.622 -5.302 -7.470 1.00 0.00 H new ATOM 0 HA VAL A 66 5.136 -5.430 -4.768 1.00 0.00 H new ATOM 0 HB VAL A 66 6.486 -6.684 -7.221 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.325 -8.456 -5.701 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.008 -6.870 -5.272 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.684 -7.560 -4.303 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.022 -8.605 -6.657 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.382 -7.707 -5.260 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.065 -7.127 -6.912 1.00 0.00 H new ATOM 1069 N ASN A 67 7.430 -4.794 -4.042 1.00 0.00 N ATOM 1070 CA ASN A 67 8.675 -4.133 -3.567 1.00 0.00 C ATOM 1071 C ASN A 67 8.843 -2.748 -4.197 1.00 0.00 C ATOM 1072 O ASN A 67 9.830 -2.481 -4.853 1.00 0.00 O ATOM 1073 CB ASN A 67 9.803 -5.071 -4.007 1.00 0.00 C ATOM 1074 CG ASN A 67 9.931 -5.052 -5.532 1.00 0.00 C ATOM 1075 OD1 ASN A 67 9.197 -5.730 -6.223 1.00 0.00 O ATOM 1076 ND2 ASN A 67 10.840 -4.302 -6.091 1.00 0.00 N ATOM 0 H ASN A 67 6.938 -5.341 -3.335 1.00 0.00 H new ATOM 0 HA ASN A 67 8.665 -3.972 -2.489 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.743 -4.762 -3.551 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.600 -6.085 -3.663 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.934 -4.285 -7.107 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.457 -3.732 -5.513 1.00 0.00 H new ATOM 1083 N PRO A 68 7.877 -1.899 -3.960 1.00 0.00 N ATOM 1084 CA PRO A 68 7.944 -0.521 -4.501 1.00 0.00 C ATOM 1085 C PRO A 68 9.209 0.141 -3.970 1.00 0.00 C ATOM 1086 O PRO A 68 9.812 -0.362 -3.050 1.00 0.00 O ATOM 1087 CB PRO A 68 6.689 0.162 -3.961 1.00 0.00 C ATOM 1088 CG PRO A 68 5.799 -0.940 -3.465 1.00 0.00 C ATOM 1089 CD PRO A 68 6.665 -2.139 -3.178 1.00 0.00 C ATOM 0 HA PRO A 68 7.981 -0.472 -5.589 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.937 0.855 -3.157 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.195 0.742 -4.740 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.270 -0.627 -2.565 1.00 0.00 H new ATOM 0 HG3 PRO A 68 5.043 -1.185 -4.211 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.887 -2.225 -2.114 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.175 -3.066 -3.477 1.00 0.00 H new ATOM 1097 N ILE A 69 9.642 1.239 -4.535 1.00 0.00 N ATOM 1098 CA ILE A 69 10.905 1.851 -4.024 1.00 0.00 C ATOM 1099 C ILE A 69 10.876 3.382 -4.037 1.00 0.00 C ATOM 1100 O ILE A 69 10.338 4.005 -4.930 1.00 0.00 O ATOM 1101 CB ILE A 69 11.982 1.365 -4.998 1.00 0.00 C ATOM 1102 CG1 ILE A 69 12.079 -0.175 -4.931 1.00 0.00 C ATOM 1103 CG2 ILE A 69 13.327 2.025 -4.645 1.00 0.00 C ATOM 1104 CD1 ILE A 69 13.543 -0.637 -4.952 1.00 0.00 C ATOM 0 H ILE A 69 9.190 1.728 -5.308 1.00 0.00 H new ATOM 0 HA ILE A 69 11.075 1.564 -2.986 1.00 0.00 H new ATOM 0 HB ILE A 69 11.720 1.647 -6.018 1.00 0.00 H new ATOM 0 HG12 ILE A 69 11.594 -0.534 -4.023 1.00 0.00 H new ATOM 0 HG13 ILE A 69 11.544 -0.613 -5.773 1.00 0.00 H new ATOM 0 HG21 ILE A 69 14.095 1.680 -5.338 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.231 3.108 -4.720 1.00 0.00 H new ATOM 0 HG23 ILE A 69 13.609 1.755 -3.627 1.00 0.00 H new ATOM 0 HD11 ILE A 69 13.582 -1.725 -4.904 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.019 -0.297 -5.872 1.00 0.00 H new ATOM 0 HD13 ILE A 69 14.069 -0.217 -4.095 1.00 0.00 H new ATOM 1116 N VAL A 70 11.524 3.984 -3.071 1.00 0.00 N ATOM 1117 CA VAL A 70 11.622 5.477 -3.038 1.00 0.00 C ATOM 1118 C VAL A 70 13.028 5.859 -3.496 1.00 0.00 C ATOM 1119 O VAL A 70 13.916 5.026 -3.523 1.00 0.00 O ATOM 1120 CB VAL A 70 11.416 5.905 -1.581 1.00 0.00 C ATOM 1121 CG1 VAL A 70 11.245 7.425 -1.513 1.00 0.00 C ATOM 1122 CG2 VAL A 70 10.162 5.238 -1.023 1.00 0.00 C ATOM 0 H VAL A 70 11.991 3.505 -2.301 1.00 0.00 H new ATOM 0 HA VAL A 70 10.884 5.956 -3.682 1.00 0.00 H new ATOM 0 HB VAL A 70 12.284 5.605 -0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 70 11.099 7.729 -0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.137 7.910 -1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.378 7.720 -2.104 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.018 5.544 0.013 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.297 5.538 -1.614 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.275 4.155 -1.069 1.00 0.00 H new ATOM 1132 N THR A 71 13.254 7.087 -3.864 1.00 0.00 N ATOM 1133 CA THR A 71 14.621 7.465 -4.324 1.00 0.00 C ATOM 1134 C THR A 71 15.179 8.645 -3.526 1.00 0.00 C ATOM 1135 O THR A 71 16.351 8.954 -3.616 1.00 0.00 O ATOM 1136 CB THR A 71 14.454 7.848 -5.793 1.00 0.00 C ATOM 1137 OG1 THR A 71 13.548 6.948 -6.417 1.00 0.00 O ATOM 1138 CG2 THR A 71 15.813 7.775 -6.491 1.00 0.00 C ATOM 0 H THR A 71 12.564 7.838 -3.868 1.00 0.00 H new ATOM 0 HA THR A 71 15.326 6.646 -4.184 1.00 0.00 H new ATOM 0 HB THR A 71 14.062 8.862 -5.865 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.439 7.194 -7.359 1.00 0.00 H new ATOM 0 HG21 THR A 71 15.698 8.048 -7.540 1.00 0.00 H new ATOM 0 HG22 THR A 71 16.506 8.465 -6.010 1.00 0.00 H new ATOM 0 HG23 THR A 71 16.204 6.760 -6.421 1.00 0.00 H new ATOM 1146 N GLU A 72 14.370 9.317 -2.754 1.00 0.00 N ATOM 1147 CA GLU A 72 14.910 10.475 -1.983 1.00 0.00 C ATOM 1148 C GLU A 72 14.308 10.537 -0.579 1.00 0.00 C ATOM 1149 O GLU A 72 14.474 11.511 0.127 1.00 0.00 O ATOM 1150 CB GLU A 72 14.512 11.707 -2.794 1.00 0.00 C ATOM 1151 CG GLU A 72 15.247 11.694 -4.133 1.00 0.00 C ATOM 1152 CD GLU A 72 15.809 13.087 -4.422 1.00 0.00 C ATOM 1153 OE1 GLU A 72 15.029 14.025 -4.446 1.00 0.00 O ATOM 1154 OE2 GLU A 72 17.009 13.193 -4.615 1.00 0.00 O ATOM 0 H GLU A 72 13.377 9.121 -2.624 1.00 0.00 H new ATOM 0 HA GLU A 72 15.989 10.400 -1.846 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.435 11.715 -2.958 1.00 0.00 H new ATOM 0 HB3 GLU A 72 14.757 12.614 -2.241 1.00 0.00 H new ATOM 0 HG2 GLU A 72 16.055 10.962 -4.109 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.567 11.392 -4.930 1.00 0.00 H new ATOM 1161 N LYS A 73 13.611 9.509 -0.178 1.00 0.00 N ATOM 1162 CA LYS A 73 12.982 9.479 1.181 1.00 0.00 C ATOM 1163 C LYS A 73 11.704 10.314 1.212 1.00 0.00 C ATOM 1164 O LYS A 73 10.893 10.182 2.103 1.00 0.00 O ATOM 1165 CB LYS A 73 14.017 10.049 2.156 1.00 0.00 C ATOM 1166 CG LYS A 73 15.407 9.524 1.798 1.00 0.00 C ATOM 1167 CD LYS A 73 16.240 9.371 3.073 1.00 0.00 C ATOM 1168 CE LYS A 73 16.907 10.707 3.410 1.00 0.00 C ATOM 1169 NZ LYS A 73 17.562 10.486 4.729 1.00 0.00 N ATOM 0 H LYS A 73 13.446 8.674 -0.741 1.00 0.00 H new ATOM 0 HA LYS A 73 12.702 8.461 1.453 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.008 11.138 2.115 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.763 9.766 3.177 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.324 8.564 1.288 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.900 10.210 1.109 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.605 9.051 3.899 1.00 0.00 H new ATOM 0 HD3 LYS A 73 16.997 8.599 2.935 1.00 0.00 H new ATOM 0 HE2 LYS A 73 17.635 10.988 2.649 1.00 0.00 H new ATOM 0 HE3 LYS A 73 16.174 11.512 3.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 18.042 11.359 5.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 16.843 10.226 5.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.259 9.718 4.646 1.00 0.00 H new ATOM 1183 N ASP A 74 11.512 11.167 0.252 1.00 0.00 N ATOM 1184 CA ASP A 74 10.280 11.996 0.241 1.00 0.00 C ATOM 1185 C ASP A 74 9.648 11.964 -1.147 1.00 0.00 C ATOM 1186 O ASP A 74 8.621 12.567 -1.381 1.00 0.00 O ATOM 1187 CB ASP A 74 10.748 13.405 0.593 1.00 0.00 C ATOM 1188 CG ASP A 74 9.571 14.213 1.146 1.00 0.00 C ATOM 1189 OD1 ASP A 74 8.673 14.514 0.377 1.00 0.00 O ATOM 1190 OD2 ASP A 74 9.587 14.514 2.328 1.00 0.00 O ATOM 0 H ASP A 74 12.153 11.327 -0.525 1.00 0.00 H new ATOM 0 HA ASP A 74 9.527 11.637 0.942 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.549 13.359 1.330 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.156 13.895 -0.291 1.00 0.00 H new ATOM 1195 N SER A 75 10.239 11.248 -2.064 1.00 0.00 N ATOM 1196 CA SER A 75 9.648 11.165 -3.424 1.00 0.00 C ATOM 1197 C SER A 75 8.386 10.312 -3.343 1.00 0.00 C ATOM 1198 O SER A 75 8.455 9.128 -3.080 1.00 0.00 O ATOM 1199 CB SER A 75 10.714 10.481 -4.281 1.00 0.00 C ATOM 1200 OG SER A 75 10.359 10.599 -5.653 1.00 0.00 O ATOM 0 H SER A 75 11.101 10.720 -1.929 1.00 0.00 H new ATOM 0 HA SER A 75 9.375 12.135 -3.841 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.688 10.938 -4.105 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.800 9.430 -4.005 1.00 0.00 H new ATOM 0 HG SER A 75 11.041 10.163 -6.206 1.00 0.00 H new ATOM 1206 N PRO A 76 7.266 10.950 -3.534 1.00 0.00 N ATOM 1207 CA PRO A 76 5.977 10.237 -3.438 1.00 0.00 C ATOM 1208 C PRO A 76 6.012 8.958 -4.281 1.00 0.00 C ATOM 1209 O PRO A 76 6.409 8.973 -5.429 1.00 0.00 O ATOM 1210 CB PRO A 76 4.962 11.233 -3.992 1.00 0.00 C ATOM 1211 CG PRO A 76 5.605 12.578 -3.852 1.00 0.00 C ATOM 1212 CD PRO A 76 7.098 12.370 -3.863 1.00 0.00 C ATOM 0 HA PRO A 76 5.737 9.924 -2.422 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.728 11.016 -5.034 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.024 11.187 -3.438 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.303 13.234 -4.669 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.292 13.058 -2.925 1.00 0.00 H new ATOM 0 HD2 PRO A 76 7.526 12.606 -4.837 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.595 13.009 -3.133 1.00 0.00 H new ATOM 1220 N VAL A 77 5.601 7.851 -3.722 1.00 0.00 N ATOM 1221 CA VAL A 77 5.615 6.578 -4.501 1.00 0.00 C ATOM 1222 C VAL A 77 4.187 6.125 -4.814 1.00 0.00 C ATOM 1223 O VAL A 77 3.256 6.448 -4.107 1.00 0.00 O ATOM 1224 CB VAL A 77 6.312 5.565 -3.606 1.00 0.00 C ATOM 1225 CG1 VAL A 77 6.342 4.220 -4.322 1.00 0.00 C ATOM 1226 CG2 VAL A 77 7.744 6.030 -3.351 1.00 0.00 C ATOM 0 H VAL A 77 5.258 7.773 -2.765 1.00 0.00 H new ATOM 0 HA VAL A 77 6.126 6.693 -5.457 1.00 0.00 H new ATOM 0 HB VAL A 77 5.781 5.471 -2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.839 3.483 -3.691 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.322 3.894 -4.526 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.886 4.320 -5.261 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.252 5.309 -2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.275 6.109 -4.300 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.729 7.004 -2.861 1.00 0.00 H new ATOM 1236 N ASN A 78 4.016 5.371 -5.865 1.00 0.00 N ATOM 1237 CA ASN A 78 2.654 4.880 -6.234 1.00 0.00 C ATOM 1238 C ASN A 78 2.626 3.355 -6.145 1.00 0.00 C ATOM 1239 O ASN A 78 3.519 2.698 -6.645 1.00 0.00 O ATOM 1240 CB ASN A 78 2.429 5.320 -7.686 1.00 0.00 C ATOM 1241 CG ASN A 78 3.740 5.245 -8.474 1.00 0.00 C ATOM 1242 OD1 ASN A 78 4.586 6.236 -8.405 1.00 0.00 O flip ATOM 1243 ND2 ASN A 78 3.997 4.275 -9.158 1.00 0.00 N flip ATOM 0 H ASN A 78 4.765 5.071 -6.489 1.00 0.00 H new ATOM 0 HA ASN A 78 1.883 5.275 -5.572 1.00 0.00 H new ATOM 0 HB2 ASN A 78 1.679 4.683 -8.154 1.00 0.00 H new ATOM 0 HB3 ASN A 78 2.041 6.338 -7.708 1.00 0.00 H new ATOM 0 HD21 ASN A 78 3.336 3.500 -9.212 1.00 0.00 H new ATOM 0 HD22 ASN A 78 4.874 4.235 -9.678 1.00 0.00 H new ATOM 1250 N ILE A 79 1.641 2.757 -5.519 1.00 0.00 N ATOM 1251 CA ILE A 79 1.670 1.273 -5.454 1.00 0.00 C ATOM 1252 C ILE A 79 0.473 0.644 -6.160 1.00 0.00 C ATOM 1253 O ILE A 79 -0.667 0.813 -5.774 1.00 0.00 O ATOM 1254 CB ILE A 79 1.676 0.927 -3.977 1.00 0.00 C ATOM 1255 CG1 ILE A 79 2.772 1.740 -3.281 1.00 0.00 C ATOM 1256 CG2 ILE A 79 1.964 -0.567 -3.834 1.00 0.00 C ATOM 1257 CD1 ILE A 79 4.141 1.302 -3.795 1.00 0.00 C ATOM 0 H ILE A 79 0.849 3.215 -5.068 1.00 0.00 H new ATOM 0 HA ILE A 79 2.548 0.880 -5.966 1.00 0.00 H new ATOM 0 HB ILE A 79 0.714 1.161 -3.522 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.625 2.803 -3.470 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.715 1.597 -2.202 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.973 -0.836 -2.778 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.190 -1.138 -4.348 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.935 -0.794 -4.274 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.919 1.882 -3.298 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.287 0.243 -3.583 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.196 1.468 -4.871 1.00 0.00 H new ATOM 1269 N GLU A 80 0.752 -0.102 -7.187 1.00 0.00 N ATOM 1270 CA GLU A 80 -0.318 -0.793 -7.956 1.00 0.00 C ATOM 1271 C GLU A 80 -0.483 -2.222 -7.428 1.00 0.00 C ATOM 1272 O GLU A 80 0.387 -3.052 -7.596 1.00 0.00 O ATOM 1273 CB GLU A 80 0.190 -0.810 -9.399 1.00 0.00 C ATOM 1274 CG GLU A 80 -0.806 -1.561 -10.284 1.00 0.00 C ATOM 1275 CD GLU A 80 -1.446 -0.592 -11.281 1.00 0.00 C ATOM 1276 OE1 GLU A 80 -1.091 0.575 -11.258 1.00 0.00 O ATOM 1277 OE2 GLU A 80 -2.283 -1.034 -12.050 1.00 0.00 O ATOM 0 H GLU A 80 1.697 -0.266 -7.534 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.287 -0.301 -7.872 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.318 0.210 -9.762 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.167 -1.290 -9.446 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.298 -2.364 -10.818 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.576 -2.025 -9.668 1.00 0.00 H new ATOM 1284 N ALA A 81 -1.578 -2.522 -6.778 1.00 0.00 N ATOM 1285 CA ALA A 81 -1.754 -3.905 -6.240 1.00 0.00 C ATOM 1286 C ALA A 81 -3.121 -4.479 -6.614 1.00 0.00 C ATOM 1287 O ALA A 81 -4.062 -3.761 -6.878 1.00 0.00 O ATOM 1288 CB ALA A 81 -1.619 -3.766 -4.719 1.00 0.00 C ATOM 0 H ALA A 81 -2.349 -1.879 -6.598 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.016 -4.592 -6.655 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.737 -4.744 -4.252 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.635 -3.364 -4.476 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.389 -3.091 -4.346 1.00 0.00 H new ATOM 1294 N GLU A 82 -3.224 -5.781 -6.644 1.00 0.00 N ATOM 1295 CA GLU A 82 -4.517 -6.430 -7.003 1.00 0.00 C ATOM 1296 C GLU A 82 -5.256 -6.884 -5.740 1.00 0.00 C ATOM 1297 O GLU A 82 -4.917 -7.892 -5.153 1.00 0.00 O ATOM 1298 CB GLU A 82 -4.108 -7.635 -7.846 1.00 0.00 C ATOM 1299 CG GLU A 82 -5.356 -8.314 -8.412 1.00 0.00 C ATOM 1300 CD GLU A 82 -6.217 -7.277 -9.135 1.00 0.00 C ATOM 1301 OE1 GLU A 82 -5.662 -6.298 -9.604 1.00 0.00 O ATOM 1302 OE2 GLU A 82 -7.418 -7.480 -9.209 1.00 0.00 O ATOM 0 H GLU A 82 -2.463 -6.426 -6.434 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.192 -5.758 -7.533 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.454 -7.318 -8.659 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.542 -8.341 -7.238 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.070 -9.109 -9.101 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.926 -8.779 -7.608 1.00 0.00 H new ATOM 1309 N PRO A 83 -6.242 -6.118 -5.364 1.00 0.00 N ATOM 1310 CA PRO A 83 -7.043 -6.438 -4.155 1.00 0.00 C ATOM 1311 C PRO A 83 -8.006 -7.597 -4.433 1.00 0.00 C ATOM 1312 O PRO A 83 -8.489 -7.752 -5.536 1.00 0.00 O ATOM 1313 CB PRO A 83 -7.822 -5.154 -3.896 1.00 0.00 C ATOM 1314 CG PRO A 83 -7.928 -4.496 -5.235 1.00 0.00 C ATOM 1315 CD PRO A 83 -6.702 -4.889 -6.019 1.00 0.00 C ATOM 0 HA PRO A 83 -6.428 -6.747 -3.310 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -8.807 -5.366 -3.480 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.305 -4.515 -3.181 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -8.834 -4.815 -5.751 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -7.987 -3.413 -5.129 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -6.938 -5.060 -7.069 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -5.940 -4.110 -5.986 1.00 0.00 H new ATOM 1323 N PRO A 84 -8.262 -8.363 -3.408 1.00 0.00 N ATOM 1324 CA PRO A 84 -9.189 -9.514 -3.530 1.00 0.00 C ATOM 1325 C PRO A 84 -10.590 -9.024 -3.911 1.00 0.00 C ATOM 1326 O PRO A 84 -10.756 -7.946 -4.446 1.00 0.00 O ATOM 1327 CB PRO A 84 -9.198 -10.141 -2.135 1.00 0.00 C ATOM 1328 CG PRO A 84 -8.596 -9.117 -1.222 1.00 0.00 C ATOM 1329 CD PRO A 84 -7.713 -8.233 -2.058 1.00 0.00 C ATOM 0 HA PRO A 84 -8.884 -10.223 -4.300 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -10.213 -10.392 -1.826 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -8.622 -11.066 -2.119 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -9.376 -8.531 -0.736 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.020 -9.599 -0.432 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -7.741 -7.199 -1.713 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.672 -8.554 -2.017 1.00 0.00 H new ATOM 1387 N TYR A 89 -8.172 -3.715 2.641 1.00 0.00 N ATOM 1388 CA TYR A 89 -7.399 -2.587 3.239 1.00 0.00 C ATOM 1389 C TYR A 89 -5.949 -2.629 2.755 1.00 0.00 C ATOM 1390 O TYR A 89 -5.164 -3.448 3.191 1.00 0.00 O ATOM 1391 CB TYR A 89 -7.457 -2.805 4.754 1.00 0.00 C ATOM 1392 CG TYR A 89 -8.844 -3.244 5.161 1.00 0.00 C ATOM 1393 CD1 TYR A 89 -9.960 -2.795 4.445 1.00 0.00 C ATOM 1394 CD2 TYR A 89 -9.014 -4.102 6.255 1.00 0.00 C ATOM 1395 CE1 TYR A 89 -11.245 -3.201 4.824 1.00 0.00 C ATOM 1396 CE2 TYR A 89 -10.299 -4.508 6.634 1.00 0.00 C ATOM 1397 CZ TYR A 89 -11.415 -4.057 5.918 1.00 0.00 C ATOM 1398 OH TYR A 89 -12.682 -4.458 6.291 1.00 0.00 O ATOM 0 HA TYR A 89 -7.810 -1.618 2.954 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.727 -3.559 5.049 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.192 -1.884 5.273 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -9.830 -2.135 3.600 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -8.153 -4.451 6.806 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -12.106 -2.853 4.272 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -10.430 -5.169 7.478 1.00 0.00 H new ATOM 0 HH TYR A 89 -12.622 -5.052 7.069 1.00 0.00 H new ATOM 1408 N ILE A 90 -5.583 -1.750 1.864 1.00 0.00 N ATOM 1409 CA ILE A 90 -4.180 -1.742 1.366 1.00 0.00 C ATOM 1410 C ILE A 90 -3.258 -1.168 2.444 1.00 0.00 C ATOM 1411 O ILE A 90 -3.403 -0.034 2.855 1.00 0.00 O ATOM 1412 CB ILE A 90 -4.199 -0.838 0.133 1.00 0.00 C ATOM 1413 CG1 ILE A 90 -4.803 -1.602 -1.048 1.00 0.00 C ATOM 1414 CG2 ILE A 90 -2.772 -0.414 -0.213 1.00 0.00 C ATOM 1415 CD1 ILE A 90 -6.254 -1.164 -1.253 1.00 0.00 C ATOM 0 H ILE A 90 -6.193 -1.039 1.460 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.814 -2.740 1.124 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.800 0.047 0.342 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.224 -1.412 -1.952 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.759 -2.675 -0.861 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.787 0.230 -1.092 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.340 0.129 0.628 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.170 -1.298 -0.422 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.683 -1.709 -2.094 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.829 -1.377 -0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.285 -0.094 -1.459 1.00 0.00 H new ATOM 1427 N ILE A 91 -2.322 -1.943 2.915 1.00 0.00 N ATOM 1428 CA ILE A 91 -1.408 -1.434 3.976 1.00 0.00 C ATOM 1429 C ILE A 91 -0.084 -0.968 3.369 1.00 0.00 C ATOM 1430 O ILE A 91 0.383 -1.499 2.380 1.00 0.00 O ATOM 1431 CB ILE A 91 -1.178 -2.621 4.908 1.00 0.00 C ATOM 1432 CG1 ILE A 91 -2.514 -3.066 5.508 1.00 0.00 C ATOM 1433 CG2 ILE A 91 -0.228 -2.205 6.031 1.00 0.00 C ATOM 1434 CD1 ILE A 91 -2.290 -4.282 6.408 1.00 0.00 C ATOM 0 H ILE A 91 -2.150 -2.902 2.614 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.832 -0.577 4.500 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.741 -3.447 4.347 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.956 -2.252 6.082 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.217 -3.314 4.713 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.062 -3.050 6.699 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.723 -1.887 5.604 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.667 -1.380 6.592 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.241 -4.599 6.835 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.867 -5.097 5.820 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.602 -4.018 7.211 1.00 0.00 H new ATOM 1446 N ILE A 92 0.520 0.022 3.963 1.00 0.00 N ATOM 1447 CA ILE A 92 1.814 0.541 3.440 1.00 0.00 C ATOM 1448 C ILE A 92 2.779 0.767 4.608 1.00 0.00 C ATOM 1449 O ILE A 92 2.395 1.262 5.646 1.00 0.00 O ATOM 1450 CB ILE A 92 1.442 1.869 2.764 1.00 0.00 C ATOM 1451 CG1 ILE A 92 1.163 1.621 1.283 1.00 0.00 C ATOM 1452 CG2 ILE A 92 2.582 2.883 2.901 1.00 0.00 C ATOM 1453 CD1 ILE A 92 0.323 2.770 0.729 1.00 0.00 C ATOM 0 H ILE A 92 0.170 0.498 4.795 1.00 0.00 H new ATOM 0 HA ILE A 92 2.308 -0.141 2.748 1.00 0.00 H new ATOM 0 HB ILE A 92 0.554 2.272 3.250 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.101 1.542 0.733 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.637 0.675 1.154 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.299 3.817 2.416 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.779 3.068 3.957 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.480 2.486 2.428 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.122 2.597 -0.328 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.620 2.827 1.273 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.867 3.707 0.846 1.00 0.00 H new ATOM 1465 N GLY A 93 4.024 0.414 4.459 1.00 0.00 N ATOM 1466 CA GLY A 93 4.969 0.627 5.579 1.00 0.00 C ATOM 1467 C GLY A 93 4.860 -0.547 6.543 1.00 0.00 C ATOM 1468 O GLY A 93 4.401 -1.615 6.188 1.00 0.00 O ATOM 0 H GLY A 93 4.421 -0.008 3.619 1.00 0.00 H new ATOM 0 HA2 GLY A 93 5.988 0.712 5.202 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.740 1.560 6.093 1.00 0.00 H new ATOM 1472 N VAL A 94 5.280 -0.367 7.754 1.00 0.00 N ATOM 1473 CA VAL A 94 5.203 -1.485 8.731 1.00 0.00 C ATOM 1474 C VAL A 94 4.419 -1.053 9.963 1.00 0.00 C ATOM 1475 O VAL A 94 4.419 0.108 10.322 1.00 0.00 O ATOM 1476 CB VAL A 94 6.656 -1.812 9.096 1.00 0.00 C ATOM 1477 CG1 VAL A 94 7.143 -2.943 8.191 1.00 0.00 C ATOM 1478 CG2 VAL A 94 7.546 -0.580 8.886 1.00 0.00 C ATOM 0 H VAL A 94 5.673 0.502 8.114 1.00 0.00 H new ATOM 0 HA VAL A 94 4.691 -2.354 8.319 1.00 0.00 H new ATOM 0 HB VAL A 94 6.709 -2.111 10.143 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.176 -3.188 8.438 1.00 0.00 H new ATOM 0 HG12 VAL A 94 6.516 -3.823 8.339 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.084 -2.627 7.150 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.575 -0.825 9.149 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.502 -0.273 7.841 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.195 0.235 9.519 1.00 0.00 H new ATOM 1488 N GLU A 95 3.752 -1.990 10.601 1.00 0.00 N ATOM 1489 CA GLU A 95 2.940 -1.691 11.828 1.00 0.00 C ATOM 1490 C GLU A 95 3.338 -0.353 12.457 1.00 0.00 C ATOM 1491 O GLU A 95 2.513 0.524 12.603 1.00 0.00 O ATOM 1492 CB GLU A 95 3.248 -2.840 12.787 1.00 0.00 C ATOM 1493 CG GLU A 95 2.031 -3.763 12.885 1.00 0.00 C ATOM 1494 CD GLU A 95 2.120 -4.591 14.167 1.00 0.00 C ATOM 1495 OE1 GLU A 95 2.194 -3.995 15.230 1.00 0.00 O ATOM 1496 OE2 GLU A 95 2.113 -5.807 14.067 1.00 0.00 O ATOM 0 H GLU A 95 3.737 -2.969 10.316 1.00 0.00 H new ATOM 0 HA GLU A 95 1.879 -1.609 11.594 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.115 -3.399 12.435 1.00 0.00 H new ATOM 0 HB3 GLU A 95 3.501 -2.448 13.772 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.114 -3.174 12.883 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.989 -4.421 12.017 1.00 0.00 H new ATOM 1503 N PRO A 96 4.597 -0.244 12.804 1.00 0.00 N ATOM 1504 CA PRO A 96 5.131 1.003 13.417 1.00 0.00 C ATOM 1505 C PRO A 96 4.792 2.253 12.582 1.00 0.00 C ATOM 1506 O PRO A 96 5.660 2.857 11.982 1.00 0.00 O ATOM 1507 CB PRO A 96 6.649 0.778 13.446 1.00 0.00 C ATOM 1508 CG PRO A 96 6.897 -0.443 12.616 1.00 0.00 C ATOM 1509 CD PRO A 96 5.645 -1.262 12.680 1.00 0.00 C ATOM 0 HA PRO A 96 4.699 1.185 14.401 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.180 1.640 13.042 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.004 0.635 14.467 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.131 -0.171 11.587 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.749 -1.006 12.998 1.00 0.00 H new ATOM 0 HD2 PRO A 96 5.514 -1.871 11.785 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.650 -1.943 13.531 1.00 0.00 H new ATOM 1517 N GLY A 97 3.550 2.661 12.558 1.00 0.00 N ATOM 1518 CA GLY A 97 3.175 3.885 11.788 1.00 0.00 C ATOM 1519 C GLY A 97 2.801 3.530 10.346 1.00 0.00 C ATOM 1520 O GLY A 97 2.512 4.394 9.542 1.00 0.00 O ATOM 0 H GLY A 97 2.778 2.199 13.039 1.00 0.00 H new ATOM 0 HA2 GLY A 97 2.335 4.382 12.274 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.007 4.589 11.789 1.00 0.00 H new ATOM 1524 N GLN A 98 2.801 2.272 10.007 1.00 0.00 N ATOM 1525 CA GLN A 98 2.443 1.875 8.613 1.00 0.00 C ATOM 1526 C GLN A 98 1.127 2.552 8.190 1.00 0.00 C ATOM 1527 O GLN A 98 0.343 2.976 9.016 1.00 0.00 O ATOM 1528 CB GLN A 98 2.318 0.341 8.685 1.00 0.00 C ATOM 1529 CG GLN A 98 0.959 -0.143 8.164 1.00 0.00 C ATOM 1530 CD GLN A 98 0.747 -1.599 8.583 1.00 0.00 C ATOM 1531 OE1 GLN A 98 -0.248 -1.928 9.199 1.00 0.00 O ATOM 1532 NE2 GLN A 98 1.647 -2.491 8.274 1.00 0.00 N ATOM 0 H GLN A 98 3.033 1.500 10.632 1.00 0.00 H new ATOM 0 HA GLN A 98 3.178 2.181 7.868 1.00 0.00 H new ATOM 0 HB2 GLN A 98 3.116 -0.117 8.100 1.00 0.00 H new ATOM 0 HB3 GLN A 98 2.450 0.013 9.716 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.160 0.482 8.563 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.921 -0.056 7.078 1.00 0.00 H new ATOM 0 HE21 GLN A 98 2.482 -2.215 7.757 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.516 -3.464 8.549 1.00 0.00 H new ATOM 1541 N LEU A 99 0.884 2.651 6.909 1.00 0.00 N ATOM 1542 CA LEU A 99 -0.375 3.294 6.435 1.00 0.00 C ATOM 1543 C LEU A 99 -1.452 2.235 6.175 1.00 0.00 C ATOM 1544 O LEU A 99 -1.194 1.048 6.222 1.00 0.00 O ATOM 1545 CB LEU A 99 0.007 3.992 5.130 1.00 0.00 C ATOM 1546 CG LEU A 99 0.392 5.444 5.419 1.00 0.00 C ATOM 1547 CD1 LEU A 99 0.781 6.134 4.112 1.00 0.00 C ATOM 1548 CD2 LEU A 99 -0.800 6.172 6.045 1.00 0.00 C ATOM 0 H LEU A 99 1.503 2.314 6.172 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.783 3.988 7.170 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.840 3.471 4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.828 3.959 4.430 1.00 0.00 H new ATOM 0 HG LEU A 99 1.235 5.468 6.109 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.056 7.169 4.315 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.628 5.615 3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.063 6.111 3.423 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.527 7.207 6.251 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.643 6.150 5.355 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.080 5.678 6.975 1.00 0.00 H new ATOM 1560 N LYS A 100 -2.655 2.659 5.896 1.00 0.00 N ATOM 1561 CA LYS A 100 -3.754 1.685 5.630 1.00 0.00 C ATOM 1562 C LYS A 100 -4.847 2.340 4.782 1.00 0.00 C ATOM 1563 O LYS A 100 -5.278 3.444 5.052 1.00 0.00 O ATOM 1564 CB LYS A 100 -4.298 1.310 7.004 1.00 0.00 C ATOM 1565 CG LYS A 100 -4.255 -0.210 7.171 1.00 0.00 C ATOM 1566 CD LYS A 100 -4.890 -0.596 8.508 1.00 0.00 C ATOM 1567 CE LYS A 100 -6.395 -0.324 8.459 1.00 0.00 C ATOM 1568 NZ LYS A 100 -6.883 -0.615 9.835 1.00 0.00 N ATOM 0 H LYS A 100 -2.925 3.641 5.841 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.404 0.811 5.080 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.707 1.789 7.784 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.321 1.670 7.113 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.788 -0.692 6.351 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.224 -0.562 7.131 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.707 -1.650 8.718 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.433 -0.026 9.317 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.601 0.709 8.177 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.887 -0.959 7.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.909 -0.451 9.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.680 -1.607 10.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.402 0.010 10.513 1.00 0.00 H new ATOM 1582 N LEU A 101 -5.298 1.669 3.758 1.00 0.00 N ATOM 1583 CA LEU A 101 -6.363 2.255 2.894 1.00 0.00 C ATOM 1584 C LEU A 101 -7.448 1.211 2.617 1.00 0.00 C ATOM 1585 O LEU A 101 -7.180 0.144 2.101 1.00 0.00 O ATOM 1586 CB LEU A 101 -5.651 2.649 1.600 1.00 0.00 C ATOM 1587 CG LEU A 101 -4.466 3.558 1.926 1.00 0.00 C ATOM 1588 CD1 LEU A 101 -3.161 2.777 1.759 1.00 0.00 C ATOM 1589 CD2 LEU A 101 -4.465 4.757 0.975 1.00 0.00 C ATOM 0 H LEU A 101 -4.976 0.741 3.482 1.00 0.00 H new ATOM 0 HA LEU A 101 -6.855 3.108 3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.306 1.757 1.077 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.344 3.162 0.933 1.00 0.00 H new ATOM 0 HG LEU A 101 -4.551 3.908 2.955 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.316 3.426 1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.159 1.922 2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.076 2.426 0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.620 5.405 1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.381 4.406 -0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.394 5.315 1.093 1.00 0.00 H new ATOM 1601 N ASN A 102 -8.673 1.509 2.957 1.00 0.00 N ATOM 1602 CA ASN A 102 -9.772 0.531 2.715 1.00 0.00 C ATOM 1603 C ASN A 102 -10.341 0.707 1.304 1.00 0.00 C ATOM 1604 O ASN A 102 -10.591 1.809 0.859 1.00 0.00 O ATOM 1605 CB ASN A 102 -10.833 0.861 3.767 1.00 0.00 C ATOM 1606 CG ASN A 102 -10.494 0.148 5.077 1.00 0.00 C ATOM 1607 OD1 ASN A 102 -9.249 -0.133 5.348 1.00 0.00 O flip ATOM 1608 ND2 ASN A 102 -11.370 -0.155 5.861 1.00 0.00 N flip ATOM 0 H ASN A 102 -8.960 2.386 3.391 1.00 0.00 H new ATOM 0 HA ASN A 102 -9.429 -0.501 2.790 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -10.877 1.938 3.928 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -11.817 0.550 3.416 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -12.343 0.065 5.649 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -11.133 -0.630 6.732 1.00 0.00 H new ATOM 1615 N TRP A 103 -10.548 -0.372 0.601 1.00 0.00 N ATOM 1616 CA TRP A 103 -11.102 -0.268 -0.779 1.00 0.00 C ATOM 1617 C TRP A 103 -12.280 -1.230 -0.949 1.00 0.00 C ATOM 1618 O TRP A 103 -12.284 -2.322 -0.415 1.00 0.00 O ATOM 1619 CB TRP A 103 -9.947 -0.665 -1.699 1.00 0.00 C ATOM 1620 CG TRP A 103 -10.200 -0.137 -3.074 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -10.308 -0.895 -4.189 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -10.377 1.245 -3.499 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -10.540 -0.066 -5.272 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -10.592 1.262 -4.898 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -10.373 2.473 -2.814 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -10.795 2.455 -5.592 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -10.578 3.676 -3.510 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -10.788 3.666 -4.896 1.00 0.00 C ATOM 0 H TRP A 103 -10.358 -1.321 0.922 1.00 0.00 H new ATOM 0 HA TRP A 103 -11.475 0.732 -1.001 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -9.008 -0.269 -1.313 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -9.847 -1.750 -1.727 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -10.226 -1.971 -4.228 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -10.658 -0.396 -6.230 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -10.211 2.491 -1.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -10.956 2.442 -6.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -10.574 4.614 -2.974 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -10.944 4.594 -5.425 1.00 0.00 H new