USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 476 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 14 HIS : no HD1:sc= 0 X(o=0,f=-0.0004) USER MOD Single : A 18 ASN : amide:sc= -0.059 X(o=-0.059,f=-0.059) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -130:sc= 0.0438 (180deg=-1.74!) USER MOD Single : A 27 LYS NZ :NH3+ 158:sc= -0.0702 (180deg=-0.421) USER MOD Single : A 32 HIS : no HD1:sc= -0.835 K(o=-0.83,f=0) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 38 LYS NZ :NH3+ -160:sc= -0.396 (180deg=-0.963!) USER MOD Single : A 40 LYS NZ :NH3+ -158:sc= -0.0351 (180deg=-0.274) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0499 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0785) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot -159:sc= -5.66! USER MOD Single : A 76 GLN : amide:sc= -0.119 K(o=-0.12,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 225 N GLU A 13 -6.378 1.951 -6.203 1.00 0.00 N ATOM 226 CA GLU A 13 -5.752 1.369 -7.383 1.00 0.00 C ATOM 227 C GLU A 13 -4.345 0.879 -7.058 1.00 0.00 C ATOM 228 O GLU A 13 -3.568 1.582 -6.410 1.00 0.00 O ATOM 229 CB GLU A 13 -5.700 2.396 -8.516 1.00 0.00 C ATOM 230 CG GLU A 13 -6.998 2.500 -9.302 1.00 0.00 C ATOM 231 CD GLU A 13 -6.923 3.521 -10.420 1.00 0.00 C ATOM 232 OE1 GLU A 13 -6.191 4.520 -10.264 1.00 0.00 O ATOM 233 OE2 GLU A 13 -7.598 3.321 -11.452 1.00 0.00 O ATOM 0 HA GLU A 13 -6.351 0.517 -7.704 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.458 3.373 -8.099 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.892 2.132 -9.198 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.243 1.524 -9.722 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.808 2.768 -8.624 1.00 0.00 H new ATOM 240 N HIS A 14 -4.024 -0.332 -7.500 1.00 0.00 N ATOM 241 CA HIS A 14 -2.714 -0.918 -7.232 1.00 0.00 C ATOM 242 C HIS A 14 -1.832 -0.896 -8.477 1.00 0.00 C ATOM 243 O HIS A 14 -2.231 -1.364 -9.543 1.00 0.00 O ATOM 244 CB HIS A 14 -2.846 -2.362 -6.724 1.00 0.00 C ATOM 245 CG HIS A 14 -4.171 -2.682 -6.100 1.00 0.00 C ATOM 246 ND1 HIS A 14 -5.216 -3.248 -6.800 1.00 0.00 N ATOM 247 CD2 HIS A 14 -4.617 -2.515 -4.832 1.00 0.00 C ATOM 248 CE1 HIS A 14 -6.248 -3.415 -5.991 1.00 0.00 C ATOM 249 NE2 HIS A 14 -5.909 -2.978 -4.791 1.00 0.00 N ATOM 0 H HIS A 14 -4.650 -0.926 -8.044 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.245 -0.311 -6.458 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.677 -3.044 -7.557 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.059 -2.550 -5.993 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.060 -2.096 -4.007 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -7.204 -3.836 -6.264 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -6.510 -2.984 -3.967 1.00 0.00 H new ATOM 258 N VAL A 15 -0.626 -0.364 -8.323 1.00 0.00 N ATOM 259 CA VAL A 15 0.340 -0.302 -9.418 1.00 0.00 C ATOM 260 C VAL A 15 1.677 -0.869 -8.959 1.00 0.00 C ATOM 261 O VAL A 15 2.086 -0.649 -7.824 1.00 0.00 O ATOM 262 CB VAL A 15 0.562 1.141 -9.928 1.00 0.00 C ATOM 263 CG1 VAL A 15 0.904 1.133 -11.410 1.00 0.00 C ATOM 264 CG2 VAL A 15 -0.656 2.022 -9.663 1.00 0.00 C ATOM 0 H VAL A 15 -0.290 0.034 -7.446 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.070 -0.892 -10.238 1.00 0.00 H new ATOM 0 HB VAL A 15 1.401 1.564 -9.376 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.057 2.156 -11.754 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.815 0.556 -11.570 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.085 0.681 -11.970 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.465 3.029 -10.034 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.524 1.606 -10.174 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.850 2.061 -8.591 1.00 0.00 H new ATOM 274 N ILE A 16 2.353 -1.610 -9.828 1.00 0.00 N ATOM 275 CA ILE A 16 3.636 -2.202 -9.465 1.00 0.00 C ATOM 276 C ILE A 16 4.800 -1.316 -9.904 1.00 0.00 C ATOM 277 O ILE A 16 4.961 -1.011 -11.086 1.00 0.00 O ATOM 278 CB ILE A 16 3.798 -3.631 -10.033 1.00 0.00 C ATOM 279 CG1 ILE A 16 2.782 -4.558 -9.364 1.00 0.00 C ATOM 280 CG2 ILE A 16 5.216 -4.150 -9.818 1.00 0.00 C ATOM 281 CD1 ILE A 16 2.979 -6.022 -9.683 1.00 0.00 C ATOM 0 H ILE A 16 2.040 -1.814 -10.777 1.00 0.00 H new ATOM 0 HA ILE A 16 3.651 -2.276 -8.378 1.00 0.00 H new ATOM 0 HB ILE A 16 3.616 -3.606 -11.107 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.838 -4.422 -8.284 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.779 -4.262 -9.671 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.301 -5.157 -10.227 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.924 -3.493 -10.322 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.437 -4.172 -8.751 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.219 -6.612 -9.170 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.893 -6.175 -10.759 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.968 -6.337 -9.350 1.00 0.00 H new ATOM 293 N LEU A 17 5.612 -0.931 -8.929 1.00 0.00 N ATOM 294 CA LEU A 17 6.761 -0.073 -9.163 1.00 0.00 C ATOM 295 C LEU A 17 8.064 -0.846 -9.065 1.00 0.00 C ATOM 296 O LEU A 17 8.176 -1.800 -8.294 1.00 0.00 O ATOM 297 CB LEU A 17 6.781 1.041 -8.129 1.00 0.00 C ATOM 298 CG LEU A 17 5.880 2.222 -8.452 1.00 0.00 C ATOM 299 CD1 LEU A 17 4.858 2.426 -7.352 1.00 0.00 C ATOM 300 CD2 LEU A 17 6.707 3.478 -8.655 1.00 0.00 C ATOM 0 H LEU A 17 5.491 -1.206 -7.954 1.00 0.00 H new ATOM 0 HA LEU A 17 6.671 0.335 -10.170 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.485 0.629 -7.164 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.804 1.401 -8.022 1.00 0.00 H new ATOM 0 HG LEU A 17 5.347 2.009 -9.378 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.221 3.275 -7.600 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.245 1.530 -7.254 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.371 2.620 -6.410 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.047 4.315 -8.886 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.266 3.697 -7.745 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.403 3.326 -9.480 1.00 0.00 H new ATOM 312 N ASN A 18 9.064 -0.398 -9.810 1.00 0.00 N ATOM 313 CA ASN A 18 10.386 -0.992 -9.731 1.00 0.00 C ATOM 314 C ASN A 18 11.108 -0.435 -8.512 1.00 0.00 C ATOM 315 O ASN A 18 10.927 0.730 -8.161 1.00 0.00 O ATOM 316 CB ASN A 18 11.185 -0.701 -11.003 1.00 0.00 C ATOM 317 CG ASN A 18 10.329 -0.754 -12.253 1.00 0.00 C ATOM 318 OD1 ASN A 18 9.581 -1.709 -12.467 1.00 0.00 O ATOM 319 ND2 ASN A 18 10.432 0.275 -13.085 1.00 0.00 N ATOM 0 H ASN A 18 8.984 0.373 -10.473 1.00 0.00 H new ATOM 0 HA ASN A 18 10.290 -2.074 -9.636 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.643 0.285 -10.922 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.996 -1.424 -11.092 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.878 0.296 -13.942 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.065 1.045 -12.868 1.00 0.00 H new ATOM 326 N GLU A 19 11.915 -1.262 -7.856 1.00 0.00 N ATOM 327 CA GLU A 19 12.626 -0.830 -6.655 1.00 0.00 C ATOM 328 C GLU A 19 13.260 0.543 -6.857 1.00 0.00 C ATOM 329 O GLU A 19 13.277 1.368 -5.943 1.00 0.00 O ATOM 330 CB GLU A 19 13.699 -1.851 -6.272 1.00 0.00 C ATOM 331 CG GLU A 19 14.059 -1.832 -4.795 1.00 0.00 C ATOM 332 CD GLU A 19 15.555 -1.906 -4.555 1.00 0.00 C ATOM 333 OE1 GLU A 19 16.309 -2.028 -5.543 1.00 0.00 O ATOM 334 OE2 GLU A 19 15.971 -1.840 -3.379 1.00 0.00 O ATOM 0 H GLU A 19 12.093 -2.228 -8.132 1.00 0.00 H new ATOM 0 HA GLU A 19 11.901 -0.757 -5.845 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.351 -2.849 -6.540 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.597 -1.659 -6.859 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.667 -0.921 -4.342 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.573 -2.671 -4.296 1.00 0.00 H new ATOM 341 N SER A 20 13.734 0.799 -8.071 1.00 0.00 N ATOM 342 CA SER A 20 14.324 2.088 -8.402 1.00 0.00 C ATOM 343 C SER A 20 13.236 3.147 -8.545 1.00 0.00 C ATOM 344 O SER A 20 13.323 4.226 -7.957 1.00 0.00 O ATOM 345 CB SER A 20 15.132 1.989 -9.697 1.00 0.00 C ATOM 346 OG SER A 20 15.646 3.253 -10.077 1.00 0.00 O ATOM 0 H SER A 20 13.721 0.130 -8.841 1.00 0.00 H new ATOM 0 HA SER A 20 14.994 2.378 -7.593 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.953 1.285 -9.564 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.501 1.596 -10.494 1.00 0.00 H new ATOM 0 HG SER A 20 16.159 3.161 -10.907 1.00 0.00 H new ATOM 352 N GLU A 21 12.202 2.824 -9.317 1.00 0.00 N ATOM 353 CA GLU A 21 11.082 3.735 -9.515 1.00 0.00 C ATOM 354 C GLU A 21 10.412 4.049 -8.190 1.00 0.00 C ATOM 355 O GLU A 21 10.184 5.208 -7.853 1.00 0.00 O ATOM 356 CB GLU A 21 10.054 3.121 -10.469 1.00 0.00 C ATOM 357 CG GLU A 21 9.563 4.083 -11.538 1.00 0.00 C ATOM 358 CD GLU A 21 8.369 3.544 -12.301 1.00 0.00 C ATOM 359 OE1 GLU A 21 8.537 2.556 -13.046 1.00 0.00 O ATOM 360 OE2 GLU A 21 7.265 4.110 -12.154 1.00 0.00 O ATOM 0 H GLU A 21 12.118 1.938 -9.815 1.00 0.00 H new ATOM 0 HA GLU A 21 11.469 4.657 -9.949 1.00 0.00 H new ATOM 0 HB2 GLU A 21 10.495 2.249 -10.952 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.200 2.768 -9.891 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.295 5.032 -11.073 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.374 4.289 -12.237 1.00 0.00 H new ATOM 367 N ALA A 22 10.091 3.003 -7.445 1.00 0.00 N ATOM 368 CA ALA A 22 9.444 3.157 -6.156 1.00 0.00 C ATOM 369 C ALA A 22 10.380 3.812 -5.152 1.00 0.00 C ATOM 370 O ALA A 22 9.935 4.462 -4.206 1.00 0.00 O ATOM 371 CB ALA A 22 8.973 1.807 -5.645 1.00 0.00 C ATOM 0 H ALA A 22 10.270 2.036 -7.714 1.00 0.00 H new ATOM 0 HA ALA A 22 8.578 3.808 -6.280 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.489 1.933 -4.677 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.264 1.378 -6.352 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.828 1.140 -5.539 1.00 0.00 H new ATOM 377 N LYS A 23 11.679 3.628 -5.355 1.00 0.00 N ATOM 378 CA LYS A 23 12.674 4.198 -4.458 1.00 0.00 C ATOM 379 C LYS A 23 12.582 5.714 -4.436 1.00 0.00 C ATOM 380 O LYS A 23 12.541 6.323 -3.368 1.00 0.00 O ATOM 381 CB LYS A 23 14.083 3.760 -4.862 1.00 0.00 C ATOM 382 CG LYS A 23 14.648 2.668 -3.970 1.00 0.00 C ATOM 383 CD LYS A 23 15.619 1.771 -4.721 1.00 0.00 C ATOM 384 CE LYS A 23 16.872 1.504 -3.903 1.00 0.00 C ATOM 385 NZ LYS A 23 17.730 0.455 -4.522 1.00 0.00 N ATOM 0 H LYS A 23 12.066 3.090 -6.130 1.00 0.00 H new ATOM 0 HA LYS A 23 12.469 3.827 -3.454 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.065 3.406 -5.893 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.747 4.624 -4.834 1.00 0.00 H new ATOM 0 HG2 LYS A 23 15.156 3.121 -3.119 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.832 2.066 -3.571 1.00 0.00 H new ATOM 0 HD2 LYS A 23 15.132 0.826 -4.962 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.893 2.239 -5.667 1.00 0.00 H new ATOM 0 HE2 LYS A 23 17.443 2.427 -3.803 1.00 0.00 H new ATOM 0 HE3 LYS A 23 16.589 1.194 -2.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.977 -0.258 -3.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.213 -0.001 -5.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 18.599 0.891 -4.891 1.00 0.00 H new ATOM 399 N ARG A 24 12.540 6.328 -5.615 1.00 0.00 N ATOM 400 CA ARG A 24 12.426 7.778 -5.690 1.00 0.00 C ATOM 401 C ARG A 24 11.057 8.222 -5.208 1.00 0.00 C ATOM 402 O ARG A 24 10.938 9.214 -4.502 1.00 0.00 O ATOM 403 CB ARG A 24 12.661 8.299 -7.106 1.00 0.00 C ATOM 404 CG ARG A 24 12.102 7.410 -8.190 1.00 0.00 C ATOM 405 CD ARG A 24 12.146 8.097 -9.545 1.00 0.00 C ATOM 406 NE ARG A 24 11.295 7.435 -10.529 1.00 0.00 N ATOM 407 CZ ARG A 24 11.447 7.573 -11.842 1.00 0.00 C ATOM 408 NH1 ARG A 24 12.415 8.341 -12.324 1.00 0.00 N ATOM 409 NH2 ARG A 24 10.631 6.943 -12.677 1.00 0.00 N ATOM 0 H ARG A 24 12.582 5.853 -6.516 1.00 0.00 H new ATOM 0 HA ARG A 24 13.199 8.196 -5.045 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.214 9.289 -7.196 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.733 8.418 -7.265 1.00 0.00 H new ATOM 0 HG2 ARG A 24 12.672 6.482 -8.232 1.00 0.00 H new ATOM 0 HG3 ARG A 24 11.073 7.142 -7.949 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.831 9.134 -9.434 1.00 0.00 H new ATOM 0 HD3 ARG A 24 13.173 8.113 -9.909 1.00 0.00 H new ATOM 0 HE ARG A 24 10.543 6.834 -10.191 1.00 0.00 H new ATOM 0 HH11 ARG A 24 13.045 8.828 -11.686 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.529 8.445 -13.332 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.885 6.351 -12.312 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.750 7.051 -13.684 1.00 0.00 H new ATOM 423 N VAL A 25 10.023 7.485 -5.595 1.00 0.00 N ATOM 424 CA VAL A 25 8.665 7.821 -5.191 1.00 0.00 C ATOM 425 C VAL A 25 8.542 7.819 -3.673 1.00 0.00 C ATOM 426 O VAL A 25 8.125 8.808 -3.071 1.00 0.00 O ATOM 427 CB VAL A 25 7.625 6.845 -5.775 1.00 0.00 C ATOM 428 CG1 VAL A 25 6.223 7.406 -5.614 1.00 0.00 C ATOM 429 CG2 VAL A 25 7.912 6.544 -7.238 1.00 0.00 C ATOM 0 H VAL A 25 10.099 6.656 -6.184 1.00 0.00 H new ATOM 0 HA VAL A 25 8.461 8.817 -5.583 1.00 0.00 H new ATOM 0 HB VAL A 25 7.694 5.909 -5.220 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.500 6.705 -6.031 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.011 7.558 -4.556 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.150 8.358 -6.139 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.161 5.853 -7.621 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.880 7.470 -7.813 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.900 6.094 -7.330 1.00 0.00 H new ATOM 439 N LEU A 26 8.929 6.705 -3.056 1.00 0.00 N ATOM 440 CA LEU A 26 8.875 6.573 -1.608 1.00 0.00 C ATOM 441 C LEU A 26 9.544 7.764 -0.933 1.00 0.00 C ATOM 442 O LEU A 26 8.957 8.406 -0.061 1.00 0.00 O ATOM 443 CB LEU A 26 9.554 5.274 -1.171 1.00 0.00 C ATOM 444 CG LEU A 26 8.652 4.304 -0.413 1.00 0.00 C ATOM 445 CD1 LEU A 26 9.226 2.898 -0.447 1.00 0.00 C ATOM 446 CD2 LEU A 26 8.476 4.764 1.021 1.00 0.00 C ATOM 0 H LEU A 26 9.284 5.881 -3.541 1.00 0.00 H new ATOM 0 HA LEU A 26 7.828 6.547 -1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.945 4.770 -2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.409 5.521 -0.541 1.00 0.00 H new ATOM 0 HG LEU A 26 7.677 4.289 -0.901 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.567 2.223 0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.311 2.564 -1.481 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.212 2.896 0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.831 4.064 1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.448 4.804 1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.022 5.755 1.032 1.00 0.00 H new ATOM 458 N LYS A 27 10.771 8.059 -1.347 1.00 0.00 N ATOM 459 CA LYS A 27 11.506 9.187 -0.794 1.00 0.00 C ATOM 460 C LYS A 27 10.867 10.498 -1.235 1.00 0.00 C ATOM 461 O LYS A 27 10.820 11.470 -0.481 1.00 0.00 O ATOM 462 CB LYS A 27 12.972 9.141 -1.232 1.00 0.00 C ATOM 463 CG LYS A 27 13.662 7.826 -0.908 1.00 0.00 C ATOM 464 CD LYS A 27 13.720 7.581 0.591 1.00 0.00 C ATOM 465 CE LYS A 27 14.799 6.571 0.951 1.00 0.00 C ATOM 466 NZ LYS A 27 16.166 7.103 0.697 1.00 0.00 N ATOM 0 H LYS A 27 11.275 7.534 -2.061 1.00 0.00 H new ATOM 0 HA LYS A 27 11.468 9.124 0.294 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.027 9.316 -2.306 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.513 9.954 -0.748 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.130 7.006 -1.391 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.673 7.834 -1.316 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.914 8.521 1.107 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.752 7.220 0.939 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.705 6.299 2.002 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.651 5.660 0.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.855 6.579 1.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.401 6.990 -0.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.198 8.111 0.949 1.00 0.00 H new ATOM 480 N GLU A 28 10.361 10.504 -2.462 1.00 0.00 N ATOM 481 CA GLU A 28 9.681 11.667 -3.013 1.00 0.00 C ATOM 482 C GLU A 28 8.462 12.001 -2.166 1.00 0.00 C ATOM 483 O GLU A 28 8.184 13.165 -1.876 1.00 0.00 O ATOM 484 CB GLU A 28 9.249 11.384 -4.454 1.00 0.00 C ATOM 485 CG GLU A 28 10.350 11.599 -5.483 1.00 0.00 C ATOM 486 CD GLU A 28 10.059 12.755 -6.419 1.00 0.00 C ATOM 487 OE1 GLU A 28 9.378 13.709 -5.988 1.00 0.00 O ATOM 488 OE2 GLU A 28 10.509 12.706 -7.581 1.00 0.00 O ATOM 0 H GLU A 28 10.410 9.708 -3.098 1.00 0.00 H new ATOM 0 HA GLU A 28 10.365 12.516 -3.006 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.898 10.354 -4.522 1.00 0.00 H new ATOM 0 HB3 GLU A 28 8.404 12.026 -4.702 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.293 11.783 -4.967 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.479 10.688 -6.067 1.00 0.00 H new ATOM 495 N LEU A 29 7.750 10.956 -1.764 1.00 0.00 N ATOM 496 CA LEU A 29 6.566 11.095 -0.930 1.00 0.00 C ATOM 497 C LEU A 29 6.926 11.541 0.488 1.00 0.00 C ATOM 498 O LEU A 29 6.043 11.858 1.287 1.00 0.00 O ATOM 499 CB LEU A 29 5.824 9.767 -0.873 1.00 0.00 C ATOM 500 CG LEU A 29 4.821 9.551 -2.002 1.00 0.00 C ATOM 501 CD1 LEU A 29 5.541 9.452 -3.336 1.00 0.00 C ATOM 502 CD2 LEU A 29 3.994 8.307 -1.742 1.00 0.00 C ATOM 0 H LEU A 29 7.977 9.992 -2.007 1.00 0.00 H new ATOM 0 HA LEU A 29 5.930 11.861 -1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.553 8.957 -0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.299 9.700 0.080 1.00 0.00 H new ATOM 0 HG LEU A 29 4.147 10.407 -2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.813 9.298 -4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.092 10.374 -3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.236 8.613 -3.313 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.283 8.166 -2.556 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.651 7.440 -1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.453 8.420 -0.803 1.00 0.00 H new ATOM 514 N ASP A 30 8.226 11.556 0.800 1.00 0.00 N ATOM 515 CA ASP A 30 8.710 11.939 2.128 1.00 0.00 C ATOM 516 C ASP A 30 8.630 10.758 3.090 1.00 0.00 C ATOM 517 O ASP A 30 8.199 10.903 4.234 1.00 0.00 O ATOM 518 CB ASP A 30 7.922 13.130 2.685 1.00 0.00 C ATOM 519 CG ASP A 30 8.655 13.831 3.813 1.00 0.00 C ATOM 520 OD1 ASP A 30 8.805 13.223 4.894 1.00 0.00 O ATOM 521 OD2 ASP A 30 9.080 14.989 3.615 1.00 0.00 O ATOM 0 H ASP A 30 8.966 11.305 0.144 1.00 0.00 H new ATOM 0 HA ASP A 30 9.753 12.240 2.027 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.729 13.842 1.883 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.953 12.785 3.044 1.00 0.00 H new ATOM 526 N ALA A 31 9.057 9.592 2.615 1.00 0.00 N ATOM 527 CA ALA A 31 9.049 8.381 3.427 1.00 0.00 C ATOM 528 C ALA A 31 10.014 7.344 2.866 1.00 0.00 C ATOM 529 O ALA A 31 10.422 7.424 1.706 1.00 0.00 O ATOM 530 CB ALA A 31 7.646 7.799 3.508 1.00 0.00 C ATOM 0 H ALA A 31 9.414 9.461 1.669 1.00 0.00 H new ATOM 0 HA ALA A 31 9.376 8.649 4.432 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.661 6.896 4.118 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.974 8.530 3.958 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.295 7.554 2.506 1.00 0.00 H new ATOM 536 N HIS A 32 10.373 6.368 3.691 1.00 0.00 N ATOM 537 CA HIS A 32 11.276 5.304 3.267 1.00 0.00 C ATOM 538 C HIS A 32 10.608 3.947 3.407 1.00 0.00 C ATOM 539 O HIS A 32 9.773 3.744 4.286 1.00 0.00 O ATOM 540 CB HIS A 32 12.574 5.318 4.075 1.00 0.00 C ATOM 541 CG HIS A 32 12.937 6.658 4.640 1.00 0.00 C ATOM 542 ND1 HIS A 32 12.641 7.032 5.934 1.00 0.00 N ATOM 543 CD2 HIS A 32 13.578 7.712 4.082 1.00 0.00 C ATOM 544 CE1 HIS A 32 13.082 8.259 6.147 1.00 0.00 C ATOM 545 NE2 HIS A 32 13.654 8.693 5.040 1.00 0.00 N ATOM 0 H HIS A 32 10.053 6.291 4.657 1.00 0.00 H new ATOM 0 HA HIS A 32 11.517 5.482 2.219 1.00 0.00 H new ATOM 0 HB2 HIS A 32 12.486 4.604 4.894 1.00 0.00 H new ATOM 0 HB3 HIS A 32 13.388 4.973 3.438 1.00 0.00 H new ATOM 0 HD2 HIS A 32 13.958 7.770 3.073 1.00 0.00 H new ATOM 0 HE1 HIS A 32 12.990 8.812 7.070 1.00 0.00 H new ATOM 0 HE2 HIS A 32 14.084 9.610 4.916 1.00 0.00 H new ATOM 554 N PRO A 33 10.981 2.989 2.548 1.00 0.00 N ATOM 555 CA PRO A 33 10.407 1.648 2.575 1.00 0.00 C ATOM 556 C PRO A 33 10.534 0.998 3.948 1.00 0.00 C ATOM 557 O PRO A 33 9.791 0.074 4.279 1.00 0.00 O ATOM 558 CB PRO A 33 11.205 0.878 1.518 1.00 0.00 C ATOM 559 CG PRO A 33 12.407 1.714 1.239 1.00 0.00 C ATOM 560 CD PRO A 33 11.985 3.131 1.488 1.00 0.00 C ATOM 0 HA PRO A 33 9.337 1.659 2.369 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.490 -0.109 1.883 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.615 0.726 0.614 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.237 1.434 1.887 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.746 1.582 0.211 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.822 3.753 1.805 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.566 3.592 0.593 1.00 0.00 H new ATOM 568 N GLU A 34 11.462 1.505 4.756 1.00 0.00 N ATOM 569 CA GLU A 34 11.643 1.002 6.113 1.00 0.00 C ATOM 570 C GLU A 34 10.438 1.378 6.966 1.00 0.00 C ATOM 571 O GLU A 34 10.061 0.657 7.889 1.00 0.00 O ATOM 572 CB GLU A 34 12.919 1.571 6.745 1.00 0.00 C ATOM 573 CG GLU A 34 14.014 1.905 5.743 1.00 0.00 C ATOM 574 CD GLU A 34 15.394 1.926 6.372 1.00 0.00 C ATOM 575 OE1 GLU A 34 15.656 2.826 7.198 1.00 0.00 O ATOM 576 OE2 GLU A 34 16.212 1.043 6.039 1.00 0.00 O ATOM 0 H GLU A 34 12.097 2.260 4.496 1.00 0.00 H new ATOM 0 HA GLU A 34 11.736 -0.083 6.066 1.00 0.00 H new ATOM 0 HB2 GLU A 34 12.664 2.472 7.302 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.308 0.850 7.465 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.998 1.173 4.936 1.00 0.00 H new ATOM 0 HG3 GLU A 34 13.808 2.877 5.296 1.00 0.00 H new ATOM 583 N GLN A 35 9.832 2.514 6.633 1.00 0.00 N ATOM 584 CA GLN A 35 8.659 3.001 7.347 1.00 0.00 C ATOM 585 C GLN A 35 7.389 2.400 6.764 1.00 0.00 C ATOM 586 O GLN A 35 6.582 1.803 7.476 1.00 0.00 O ATOM 587 CB GLN A 35 8.600 4.528 7.274 1.00 0.00 C ATOM 588 CG GLN A 35 9.583 5.218 8.205 1.00 0.00 C ATOM 589 CD GLN A 35 9.476 6.730 8.149 1.00 0.00 C ATOM 590 OE1 GLN A 35 9.415 7.319 7.070 1.00 0.00 O ATOM 591 NE2 GLN A 35 9.449 7.366 9.314 1.00 0.00 N ATOM 0 H GLN A 35 10.137 3.116 5.869 1.00 0.00 H new ATOM 0 HA GLN A 35 8.736 2.696 8.391 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.800 4.843 6.250 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.590 4.857 7.517 1.00 0.00 H new ATOM 0 HG2 GLN A 35 9.407 4.883 9.227 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.598 4.919 7.942 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.502 6.838 10.185 1.00 0.00 H new ATOM 0 HE22 GLN A 35 9.375 8.383 9.338 1.00 0.00 H new ATOM 600 N LEU A 36 7.231 2.557 5.460 1.00 0.00 N ATOM 601 CA LEU A 36 6.081 2.023 4.750 1.00 0.00 C ATOM 602 C LEU A 36 5.876 0.549 5.090 1.00 0.00 C ATOM 603 O LEU A 36 6.838 -0.214 5.166 1.00 0.00 O ATOM 604 CB LEU A 36 6.284 2.183 3.242 1.00 0.00 C ATOM 605 CG LEU A 36 6.085 3.599 2.700 1.00 0.00 C ATOM 606 CD1 LEU A 36 4.632 3.988 2.759 1.00 0.00 C ATOM 607 CD2 LEU A 36 6.906 4.612 3.477 1.00 0.00 C ATOM 0 H LEU A 36 7.893 3.056 4.866 1.00 0.00 H new ATOM 0 HA LEU A 36 5.194 2.577 5.058 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.293 1.855 2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.594 1.515 2.727 1.00 0.00 H new ATOM 0 HG LEU A 36 6.422 3.599 1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.510 4.999 2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.045 3.294 2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.288 3.954 3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.740 5.607 3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.605 4.598 4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.963 4.359 3.400 1.00 0.00 H new ATOM 619 N PRO A 37 4.619 0.124 5.302 1.00 0.00 N ATOM 620 CA PRO A 37 4.313 -1.270 5.625 1.00 0.00 C ATOM 621 C PRO A 37 4.777 -2.224 4.533 1.00 0.00 C ATOM 622 O PRO A 37 4.685 -1.916 3.345 1.00 0.00 O ATOM 623 CB PRO A 37 2.792 -1.303 5.749 1.00 0.00 C ATOM 624 CG PRO A 37 2.373 0.117 5.925 1.00 0.00 C ATOM 625 CD PRO A 37 3.407 0.956 5.230 1.00 0.00 C ATOM 0 HA PRO A 37 4.824 -1.592 6.532 1.00 0.00 H new ATOM 0 HB2 PRO A 37 2.336 -1.739 4.860 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.481 -1.912 6.598 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.385 0.286 5.497 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.311 0.375 6.982 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.126 1.169 4.199 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.547 1.916 5.727 1.00 0.00 H new ATOM 633 N LYS A 38 5.281 -3.380 4.944 1.00 0.00 N ATOM 634 CA LYS A 38 5.755 -4.384 4.001 1.00 0.00 C ATOM 635 C LYS A 38 4.934 -5.656 4.115 1.00 0.00 C ATOM 636 O LYS A 38 4.810 -6.234 5.195 1.00 0.00 O ATOM 637 CB LYS A 38 7.233 -4.697 4.246 1.00 0.00 C ATOM 638 CG LYS A 38 8.063 -3.478 4.614 1.00 0.00 C ATOM 639 CD LYS A 38 8.463 -2.687 3.379 1.00 0.00 C ATOM 640 CE LYS A 38 9.970 -2.686 3.182 1.00 0.00 C ATOM 641 NZ LYS A 38 10.699 -2.468 4.461 1.00 0.00 N ATOM 0 H LYS A 38 5.372 -3.646 5.925 1.00 0.00 H new ATOM 0 HA LYS A 38 5.641 -3.981 2.994 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.312 -5.434 5.045 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.652 -5.154 3.349 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.494 -2.839 5.289 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.957 -3.793 5.152 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.980 -3.114 2.500 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.106 -1.661 3.471 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.279 -3.636 2.746 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.242 -1.905 2.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.665 -2.140 4.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.201 -1.751 5.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.741 -3.361 4.993 1.00 0.00 H new ATOM 655 N ILE A 39 4.366 -6.089 2.996 1.00 0.00 N ATOM 656 CA ILE A 39 3.563 -7.296 2.979 1.00 0.00 C ATOM 657 C ILE A 39 4.369 -8.474 2.451 1.00 0.00 C ATOM 658 O ILE A 39 4.943 -8.420 1.363 1.00 0.00 O ATOM 659 CB ILE A 39 2.278 -7.118 2.165 1.00 0.00 C ATOM 660 CG1 ILE A 39 1.672 -5.737 2.423 1.00 0.00 C ATOM 661 CG2 ILE A 39 1.285 -8.211 2.520 1.00 0.00 C ATOM 662 CD1 ILE A 39 1.562 -5.382 3.893 1.00 0.00 C ATOM 0 H ILE A 39 4.449 -5.621 2.093 1.00 0.00 H new ATOM 0 HA ILE A 39 3.273 -7.504 4.009 1.00 0.00 H new ATOM 0 HB ILE A 39 2.517 -7.194 1.104 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.280 -4.984 1.922 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.680 -5.696 1.974 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.374 -8.078 1.937 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.720 -9.185 2.296 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.048 -8.156 3.582 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.124 -4.389 3.996 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.929 -6.112 4.397 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.554 -5.389 4.344 1.00 0.00 H new ATOM 674 N LYS A 40 4.450 -9.511 3.269 1.00 0.00 N ATOM 675 CA LYS A 40 5.226 -10.700 2.946 1.00 0.00 C ATOM 676 C LYS A 40 4.748 -11.343 1.650 1.00 0.00 C ATOM 677 O LYS A 40 3.554 -11.371 1.363 1.00 0.00 O ATOM 678 CB LYS A 40 5.138 -11.709 4.094 1.00 0.00 C ATOM 679 CG LYS A 40 5.285 -11.082 5.476 1.00 0.00 C ATOM 680 CD LYS A 40 6.567 -10.273 5.589 1.00 0.00 C ATOM 681 CE LYS A 40 7.715 -11.114 6.125 1.00 0.00 C ATOM 682 NZ LYS A 40 7.520 -11.477 7.555 1.00 0.00 N ATOM 0 H LYS A 40 3.981 -9.554 4.174 1.00 0.00 H new ATOM 0 HA LYS A 40 6.264 -10.396 2.807 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.179 -12.225 4.039 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.914 -12.463 3.963 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.429 -10.438 5.677 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.280 -11.865 6.234 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.834 -9.874 4.610 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.402 -9.420 6.247 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.808 -12.022 5.530 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.650 -10.564 6.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.439 -11.709 7.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.094 -10.675 8.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.890 -12.302 7.621 1.00 0.00 H new ATOM 696 N THR A 41 5.687 -11.864 0.869 1.00 0.00 N ATOM 697 CA THR A 41 5.344 -12.519 -0.386 1.00 0.00 C ATOM 698 C THR A 41 4.361 -13.661 -0.138 1.00 0.00 C ATOM 699 O THR A 41 3.580 -14.022 -1.017 1.00 0.00 O ATOM 700 CB THR A 41 6.600 -13.033 -1.087 1.00 0.00 C ATOM 701 OG1 THR A 41 7.362 -13.852 -0.217 1.00 0.00 O ATOM 702 CG2 THR A 41 7.500 -11.924 -1.585 1.00 0.00 C ATOM 0 H THR A 41 6.685 -11.846 1.081 1.00 0.00 H new ATOM 0 HA THR A 41 4.867 -11.787 -1.038 1.00 0.00 H new ATOM 0 HB THR A 41 6.242 -13.601 -1.946 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.161 -14.172 -0.685 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.374 -12.356 -2.073 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.955 -11.306 -2.298 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.821 -11.310 -0.743 1.00 0.00 H new ATOM 710 N THR A 42 4.390 -14.208 1.075 1.00 0.00 N ATOM 711 CA THR A 42 3.460 -15.266 1.453 1.00 0.00 C ATOM 712 C THR A 42 2.045 -14.704 1.516 1.00 0.00 C ATOM 713 O THR A 42 1.070 -15.397 1.224 1.00 0.00 O ATOM 714 CB THR A 42 3.850 -15.862 2.806 1.00 0.00 C ATOM 715 OG1 THR A 42 4.371 -14.862 3.663 1.00 0.00 O ATOM 716 CG2 THR A 42 4.885 -16.962 2.700 1.00 0.00 C ATOM 0 H THR A 42 5.044 -13.937 1.809 1.00 0.00 H new ATOM 0 HA THR A 42 3.500 -16.057 0.704 1.00 0.00 H new ATOM 0 HB THR A 42 2.931 -16.288 3.209 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.613 -15.263 4.524 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.117 -17.341 3.695 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.493 -17.772 2.085 1.00 0.00 H new ATOM 0 HG23 THR A 42 5.792 -16.566 2.243 1.00 0.00 H new ATOM 724 N ASP A 43 1.955 -13.429 1.875 1.00 0.00 N ATOM 725 CA ASP A 43 0.682 -12.726 1.942 1.00 0.00 C ATOM 726 C ASP A 43 0.146 -12.469 0.539 1.00 0.00 C ATOM 727 O ASP A 43 0.899 -12.476 -0.434 1.00 0.00 O ATOM 728 CB ASP A 43 0.831 -11.403 2.701 1.00 0.00 C ATOM 729 CG ASP A 43 1.004 -11.609 4.193 1.00 0.00 C ATOM 730 OD1 ASP A 43 0.917 -12.769 4.646 1.00 0.00 O ATOM 731 OD2 ASP A 43 1.223 -10.608 4.908 1.00 0.00 O ATOM 0 H ASP A 43 2.760 -12.856 2.127 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.027 -13.354 2.481 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.690 -10.858 2.310 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.048 -10.784 2.522 1.00 0.00 H new ATOM 736 N PRO A 44 -1.182 -12.323 0.407 1.00 0.00 N ATOM 737 CA PRO A 44 -1.836 -12.078 -0.884 1.00 0.00 C ATOM 738 C PRO A 44 -1.173 -10.964 -1.684 1.00 0.00 C ATOM 739 O PRO A 44 -1.327 -10.893 -2.903 1.00 0.00 O ATOM 740 CB PRO A 44 -3.271 -11.687 -0.506 1.00 0.00 C ATOM 741 CG PRO A 44 -3.244 -11.435 0.964 1.00 0.00 C ATOM 742 CD PRO A 44 -2.144 -12.297 1.514 1.00 0.00 C ATOM 0 HA PRO A 44 -1.778 -12.956 -1.528 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -3.591 -10.799 -1.050 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.973 -12.483 -0.754 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.057 -10.382 1.176 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.201 -11.687 1.420 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -1.710 -11.873 2.420 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.499 -13.296 1.768 1.00 0.00 H new ATOM 750 N VAL A 45 -0.378 -10.140 -1.013 1.00 0.00 N ATOM 751 CA VAL A 45 0.302 -9.040 -1.676 1.00 0.00 C ATOM 752 C VAL A 45 1.045 -9.528 -2.915 1.00 0.00 C ATOM 753 O VAL A 45 0.970 -8.911 -3.979 1.00 0.00 O ATOM 754 CB VAL A 45 1.315 -8.355 -0.735 1.00 0.00 C ATOM 755 CG1 VAL A 45 2.427 -9.326 -0.357 1.00 0.00 C ATOM 756 CG2 VAL A 45 1.886 -7.104 -1.386 1.00 0.00 C ATOM 0 H VAL A 45 -0.190 -10.214 -0.013 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.465 -8.321 -1.964 1.00 0.00 H new ATOM 0 HB VAL A 45 0.797 -8.056 0.176 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.134 -8.829 0.307 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.998 -10.190 0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.945 -9.655 -1.258 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.598 -6.634 -0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.391 -7.375 -2.313 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.078 -6.406 -1.604 1.00 0.00 H new ATOM 766 N ALA A 46 1.764 -10.635 -2.768 1.00 0.00 N ATOM 767 CA ALA A 46 2.507 -11.212 -3.879 1.00 0.00 C ATOM 768 C ALA A 46 1.554 -11.834 -4.890 1.00 0.00 C ATOM 769 O ALA A 46 1.632 -11.555 -6.086 1.00 0.00 O ATOM 770 CB ALA A 46 3.498 -12.244 -3.370 1.00 0.00 C ATOM 0 H ALA A 46 1.847 -11.149 -1.891 1.00 0.00 H new ATOM 0 HA ALA A 46 3.063 -10.418 -4.378 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.047 -12.667 -4.211 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.198 -11.768 -2.683 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.962 -13.038 -2.850 1.00 0.00 H new ATOM 776 N LYS A 47 0.639 -12.664 -4.397 1.00 0.00 N ATOM 777 CA LYS A 47 -0.354 -13.294 -5.254 1.00 0.00 C ATOM 778 C LYS A 47 -1.088 -12.237 -6.067 1.00 0.00 C ATOM 779 O LYS A 47 -1.475 -12.473 -7.212 1.00 0.00 O ATOM 780 CB LYS A 47 -1.349 -14.101 -4.418 1.00 0.00 C ATOM 781 CG LYS A 47 -0.990 -15.574 -4.304 1.00 0.00 C ATOM 782 CD LYS A 47 -1.978 -16.324 -3.424 1.00 0.00 C ATOM 783 CE LYS A 47 -1.362 -16.691 -2.084 1.00 0.00 C ATOM 784 NZ LYS A 47 -2.400 -16.989 -1.059 1.00 0.00 N ATOM 0 H LYS A 47 0.567 -12.914 -3.411 1.00 0.00 H new ATOM 0 HA LYS A 47 0.157 -13.974 -5.936 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.405 -13.670 -3.418 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.341 -14.010 -4.860 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.973 -16.023 -5.297 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.014 -15.674 -3.892 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.863 -15.709 -3.263 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.308 -17.229 -3.934 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.714 -17.559 -2.208 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.733 -15.871 -1.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.939 -17.235 -0.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.003 -16.153 -0.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.984 -17.788 -1.378 1.00 0.00 H new ATOM 798 N ALA A 48 -1.259 -11.064 -5.467 1.00 0.00 N ATOM 799 CA ALA A 48 -1.909 -9.951 -6.136 1.00 0.00 C ATOM 800 C ALA A 48 -0.946 -9.276 -7.101 1.00 0.00 C ATOM 801 O ALA A 48 0.255 -9.199 -6.841 1.00 0.00 O ATOM 802 CB ALA A 48 -2.431 -8.948 -5.119 1.00 0.00 C ATOM 0 H ALA A 48 -0.954 -10.862 -4.515 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.755 -10.337 -6.704 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.915 -8.121 -5.639 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.152 -9.436 -4.464 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.601 -8.567 -4.525 1.00 0.00 H new ATOM 808 N ILE A 49 -1.474 -8.826 -8.231 1.00 0.00 N ATOM 809 CA ILE A 49 -0.672 -8.158 -9.254 1.00 0.00 C ATOM 810 C ILE A 49 0.642 -8.895 -9.520 1.00 0.00 C ATOM 811 O ILE A 49 1.612 -8.300 -9.985 1.00 0.00 O ATOM 812 CB ILE A 49 -0.366 -6.696 -8.866 1.00 0.00 C ATOM 813 CG1 ILE A 49 0.376 -6.634 -7.530 1.00 0.00 C ATOM 814 CG2 ILE A 49 -1.655 -5.891 -8.791 1.00 0.00 C ATOM 815 CD1 ILE A 49 0.846 -5.244 -7.161 1.00 0.00 C ATOM 0 H ILE A 49 -2.463 -8.911 -8.466 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.269 -8.168 -10.166 1.00 0.00 H new ATOM 0 HB ILE A 49 0.275 -6.264 -9.634 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.279 -7.008 -6.743 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.237 -7.301 -7.571 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.426 -4.861 -8.516 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.150 -5.906 -9.762 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.314 -6.328 -8.041 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.363 -5.277 -6.202 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.527 -4.875 -7.928 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.013 -4.577 -7.087 1.00 0.00 H new ATOM 827 N GLY A 50 0.664 -10.198 -9.246 1.00 0.00 N ATOM 828 CA GLY A 50 1.858 -10.992 -9.483 1.00 0.00 C ATOM 829 C GLY A 50 3.133 -10.309 -9.018 1.00 0.00 C ATOM 830 O GLY A 50 4.136 -10.312 -9.732 1.00 0.00 O ATOM 0 H GLY A 50 -0.126 -10.718 -8.863 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.758 -11.949 -8.970 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.937 -11.208 -10.548 1.00 0.00 H new ATOM 834 N ALA A 51 3.101 -9.730 -7.820 1.00 0.00 N ATOM 835 CA ALA A 51 4.274 -9.054 -7.274 1.00 0.00 C ATOM 836 C ALA A 51 5.352 -10.055 -6.893 1.00 0.00 C ATOM 837 O ALA A 51 5.074 -11.236 -6.680 1.00 0.00 O ATOM 838 CB ALA A 51 3.904 -8.205 -6.065 1.00 0.00 C ATOM 0 H ALA A 51 2.282 -9.715 -7.213 1.00 0.00 H new ATOM 0 HA ALA A 51 4.665 -8.399 -8.052 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.797 -7.713 -5.679 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.173 -7.452 -6.359 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.477 -8.842 -5.290 1.00 0.00 H new ATOM 844 N LYS A 52 6.582 -9.572 -6.803 1.00 0.00 N ATOM 845 CA LYS A 52 7.711 -10.421 -6.461 1.00 0.00 C ATOM 846 C LYS A 52 8.517 -9.843 -5.314 1.00 0.00 C ATOM 847 O LYS A 52 8.389 -8.667 -4.973 1.00 0.00 O ATOM 848 CB LYS A 52 8.607 -10.624 -7.673 1.00 0.00 C ATOM 849 CG LYS A 52 8.225 -11.843 -8.481 1.00 0.00 C ATOM 850 CD LYS A 52 9.444 -12.664 -8.861 1.00 0.00 C ATOM 851 CE LYS A 52 9.333 -13.202 -10.278 1.00 0.00 C ATOM 852 NZ LYS A 52 9.135 -14.677 -10.298 1.00 0.00 N ATOM 0 H LYS A 52 6.823 -8.594 -6.963 1.00 0.00 H new ATOM 0 HA LYS A 52 7.313 -11.384 -6.142 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.557 -9.741 -8.309 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.641 -10.721 -7.343 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.535 -12.460 -7.906 1.00 0.00 H new ATOM 0 HG3 LYS A 52 7.699 -11.532 -9.384 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.340 -12.049 -8.773 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.557 -13.494 -8.163 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.500 -12.717 -10.786 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.236 -12.949 -10.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.064 -15.004 -11.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.942 -15.142 -9.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.260 -14.917 -9.790 1.00 0.00 H new ATOM 866 N ARG A 53 9.325 -10.694 -4.704 1.00 0.00 N ATOM 867 CA ARG A 53 10.160 -10.285 -3.585 1.00 0.00 C ATOM 868 C ARG A 53 11.064 -9.123 -3.980 1.00 0.00 C ATOM 869 O ARG A 53 12.094 -9.313 -4.628 1.00 0.00 O ATOM 870 CB ARG A 53 11.004 -11.460 -3.090 1.00 0.00 C ATOM 871 CG ARG A 53 11.229 -11.451 -1.589 1.00 0.00 C ATOM 872 CD ARG A 53 12.227 -10.379 -1.182 1.00 0.00 C ATOM 873 NE ARG A 53 13.226 -10.888 -0.249 1.00 0.00 N ATOM 874 CZ ARG A 53 14.285 -11.599 -0.621 1.00 0.00 C ATOM 875 NH1 ARG A 53 14.481 -11.880 -1.902 1.00 0.00 N ATOM 876 NH2 ARG A 53 15.151 -12.028 0.287 1.00 0.00 N ATOM 0 H ARG A 53 9.421 -11.675 -4.965 1.00 0.00 H new ATOM 0 HA ARG A 53 9.506 -9.956 -2.778 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.515 -12.393 -3.371 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.970 -11.442 -3.595 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.281 -11.280 -1.079 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.591 -12.428 -1.268 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.725 -9.991 -2.071 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.696 -9.544 -0.725 1.00 0.00 H new ATOM 0 HE ARG A 53 13.105 -10.687 0.744 1.00 0.00 H new ATOM 0 HH11 ARG A 53 13.818 -11.550 -2.604 1.00 0.00 H new ATOM 0 HH12 ARG A 53 15.295 -12.426 -2.186 1.00 0.00 H new ATOM 0 HH21 ARG A 53 15.005 -11.812 1.273 1.00 0.00 H new ATOM 0 HH22 ARG A 53 15.963 -12.574 -0.001 1.00 0.00 H new ATOM 890 N GLY A 54 10.666 -7.919 -3.587 1.00 0.00 N ATOM 891 CA GLY A 54 11.435 -6.734 -3.914 1.00 0.00 C ATOM 892 C GLY A 54 10.679 -5.788 -4.830 1.00 0.00 C ATOM 893 O GLY A 54 11.273 -4.900 -5.441 1.00 0.00 O ATOM 0 H GLY A 54 9.820 -7.742 -3.045 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.700 -6.211 -2.995 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.368 -7.030 -4.393 1.00 0.00 H new ATOM 897 N ASP A 55 9.365 -5.978 -4.923 1.00 0.00 N ATOM 898 CA ASP A 55 8.528 -5.144 -5.771 1.00 0.00 C ATOM 899 C ASP A 55 7.608 -4.267 -4.932 1.00 0.00 C ATOM 900 O ASP A 55 6.851 -4.768 -4.099 1.00 0.00 O ATOM 901 CB ASP A 55 7.692 -6.026 -6.698 1.00 0.00 C ATOM 902 CG ASP A 55 8.199 -6.013 -8.127 1.00 0.00 C ATOM 903 OD1 ASP A 55 8.589 -4.930 -8.609 1.00 0.00 O ATOM 904 OD2 ASP A 55 8.208 -7.088 -8.762 1.00 0.00 O ATOM 0 H ASP A 55 8.859 -6.706 -4.418 1.00 0.00 H new ATOM 0 HA ASP A 55 9.175 -4.498 -6.364 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.698 -7.050 -6.323 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.656 -5.686 -6.680 1.00 0.00 H new ATOM 909 N ILE A 56 7.651 -2.961 -5.171 1.00 0.00 N ATOM 910 CA ILE A 56 6.811 -2.029 -4.432 1.00 0.00 C ATOM 911 C ILE A 56 5.542 -1.701 -5.211 1.00 0.00 C ATOM 912 O ILE A 56 5.566 -1.561 -6.433 1.00 0.00 O ATOM 913 CB ILE A 56 7.565 -0.728 -4.093 1.00 0.00 C ATOM 914 CG1 ILE A 56 8.770 -1.049 -3.214 1.00 0.00 C ATOM 915 CG2 ILE A 56 6.647 0.266 -3.391 1.00 0.00 C ATOM 916 CD1 ILE A 56 10.083 -1.060 -3.966 1.00 0.00 C ATOM 0 H ILE A 56 8.256 -2.526 -5.868 1.00 0.00 H new ATOM 0 HA ILE A 56 6.538 -2.519 -3.498 1.00 0.00 H new ATOM 0 HB ILE A 56 7.908 -0.271 -5.021 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.828 -0.316 -2.410 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.620 -2.023 -2.748 1.00 0.00 H new ATOM 0 HG21 ILE A 56 7.203 1.176 -3.162 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.807 0.508 -4.042 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.274 -0.174 -2.466 1.00 0.00 H new ATOM 0 HD11 ILE A 56 10.895 -1.295 -3.278 1.00 0.00 H new ATOM 0 HD12 ILE A 56 10.045 -1.813 -4.753 1.00 0.00 H new ATOM 0 HD13 ILE A 56 10.256 -0.080 -4.410 1.00 0.00 H new ATOM 928 N VAL A 57 4.434 -1.590 -4.488 1.00 0.00 N ATOM 929 CA VAL A 57 3.145 -1.304 -5.100 1.00 0.00 C ATOM 930 C VAL A 57 2.676 0.110 -4.774 1.00 0.00 C ATOM 931 O VAL A 57 2.888 0.606 -3.667 1.00 0.00 O ATOM 932 CB VAL A 57 2.072 -2.308 -4.645 1.00 0.00 C ATOM 933 CG1 VAL A 57 1.837 -2.190 -3.149 1.00 0.00 C ATOM 934 CG2 VAL A 57 0.782 -2.094 -5.422 1.00 0.00 C ATOM 0 H VAL A 57 4.404 -1.694 -3.474 1.00 0.00 H new ATOM 0 HA VAL A 57 3.283 -1.394 -6.177 1.00 0.00 H new ATOM 0 HB VAL A 57 2.426 -3.318 -4.852 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.075 -2.907 -2.843 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.766 -2.398 -2.617 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.501 -1.180 -2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.033 -2.812 -5.088 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.417 -1.082 -5.249 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.971 -2.235 -6.486 1.00 0.00 H new ATOM 944 N LYS A 58 2.043 0.757 -5.748 1.00 0.00 N ATOM 945 CA LYS A 58 1.554 2.118 -5.572 1.00 0.00 C ATOM 946 C LYS A 58 0.039 2.115 -5.354 1.00 0.00 C ATOM 947 O LYS A 58 -0.729 1.718 -6.229 1.00 0.00 O ATOM 948 CB LYS A 58 1.973 2.975 -6.793 1.00 0.00 C ATOM 949 CG LYS A 58 0.879 3.820 -7.443 1.00 0.00 C ATOM 950 CD LYS A 58 0.464 4.988 -6.566 1.00 0.00 C ATOM 951 CE LYS A 58 1.377 6.190 -6.755 1.00 0.00 C ATOM 952 NZ LYS A 58 0.730 7.256 -7.568 1.00 0.00 N ATOM 0 H LYS A 58 1.857 0.359 -6.668 1.00 0.00 H new ATOM 0 HA LYS A 58 2.000 2.563 -4.682 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.778 3.641 -6.482 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.385 2.309 -7.551 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.234 4.196 -8.403 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.011 3.194 -7.647 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.562 5.271 -6.800 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.480 4.681 -5.520 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.653 6.593 -5.781 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.300 5.872 -7.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.442 7.961 -7.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.309 6.835 -8.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.014 7.718 -7.007 1.00 0.00 H new ATOM 966 N ILE A 59 -0.371 2.539 -4.164 1.00 0.00 N ATOM 967 CA ILE A 59 -1.783 2.610 -3.816 1.00 0.00 C ATOM 968 C ILE A 59 -2.193 4.049 -3.539 1.00 0.00 C ATOM 969 O ILE A 59 -1.527 4.754 -2.783 1.00 0.00 O ATOM 970 CB ILE A 59 -2.108 1.752 -2.579 1.00 0.00 C ATOM 971 CG1 ILE A 59 -1.457 0.374 -2.700 1.00 0.00 C ATOM 972 CG2 ILE A 59 -3.612 1.618 -2.408 1.00 0.00 C ATOM 973 CD1 ILE A 59 -0.262 0.191 -1.791 1.00 0.00 C ATOM 0 H ILE A 59 0.260 2.840 -3.421 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.342 2.222 -4.668 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.703 2.248 -1.697 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.199 -0.391 -2.471 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.146 0.217 -3.733 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.825 1.009 -1.530 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.053 2.606 -2.280 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.038 1.142 -3.292 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.150 -0.809 -1.929 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.498 0.934 -2.035 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.572 0.316 -0.753 1.00 0.00 H new ATOM 985 N ILE A 60 -3.290 4.482 -4.147 1.00 0.00 N ATOM 986 CA ILE A 60 -3.770 5.841 -3.946 1.00 0.00 C ATOM 987 C ILE A 60 -5.158 5.845 -3.322 1.00 0.00 C ATOM 988 O ILE A 60 -6.073 5.177 -3.803 1.00 0.00 O ATOM 989 CB ILE A 60 -3.806 6.643 -5.263 1.00 0.00 C ATOM 990 CG1 ILE A 60 -2.538 6.378 -6.080 1.00 0.00 C ATOM 991 CG2 ILE A 60 -3.959 8.132 -4.972 1.00 0.00 C ATOM 992 CD1 ILE A 60 -2.818 5.927 -7.497 1.00 0.00 C ATOM 0 H ILE A 60 -3.859 3.917 -4.778 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.064 6.320 -3.268 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.666 6.318 -5.849 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.937 7.287 -6.108 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.942 5.617 -5.576 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.983 8.686 -5.911 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.887 8.303 -4.426 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.117 8.474 -4.371 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.876 5.758 -8.018 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.393 5.001 -7.477 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.387 6.697 -8.018 1.00 0.00 H new ATOM 1149 N VAL A 70 -1.625 8.484 -0.769 1.00 0.00 N ATOM 1150 CA VAL A 70 -0.902 7.399 -1.425 1.00 0.00 C ATOM 1151 C VAL A 70 0.003 6.666 -0.436 1.00 0.00 C ATOM 1152 O VAL A 70 0.661 7.285 0.401 1.00 0.00 O ATOM 1153 CB VAL A 70 -0.062 7.915 -2.615 1.00 0.00 C ATOM 1154 CG1 VAL A 70 0.795 6.803 -3.209 1.00 0.00 C ATOM 1155 CG2 VAL A 70 -0.967 8.513 -3.682 1.00 0.00 C ATOM 0 HA VAL A 70 -1.649 6.702 -1.806 1.00 0.00 H new ATOM 0 HB VAL A 70 0.606 8.692 -2.243 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.374 7.197 -4.044 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.473 6.419 -2.446 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.152 5.997 -3.562 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.361 8.872 -4.514 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.660 7.751 -4.040 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.530 9.344 -3.258 1.00 0.00 H new ATOM 1165 N THR A 71 0.030 5.340 -0.546 1.00 0.00 N ATOM 1166 CA THR A 71 0.857 4.511 0.323 1.00 0.00 C ATOM 1167 C THR A 71 1.510 3.385 -0.474 1.00 0.00 C ATOM 1168 O THR A 71 0.844 2.692 -1.243 1.00 0.00 O ATOM 1169 CB THR A 71 0.016 3.929 1.460 1.00 0.00 C ATOM 1170 OG1 THR A 71 0.839 3.269 2.406 1.00 0.00 O ATOM 1171 CG2 THR A 71 -1.026 2.939 0.988 1.00 0.00 C ATOM 0 H THR A 71 -0.514 4.816 -1.232 1.00 0.00 H new ATOM 0 HA THR A 71 1.641 5.137 0.749 1.00 0.00 H new ATOM 0 HB THR A 71 -0.494 4.782 1.907 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.283 2.905 3.126 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.587 2.565 1.845 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.708 3.431 0.295 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.535 2.106 0.484 1.00 0.00 H new ATOM 1179 N TYR A 72 2.814 3.209 -0.291 1.00 0.00 N ATOM 1180 CA TYR A 72 3.553 2.180 -1.012 1.00 0.00 C ATOM 1181 C TYR A 72 3.859 0.981 -0.120 1.00 0.00 C ATOM 1182 O TYR A 72 4.105 1.130 1.077 1.00 0.00 O ATOM 1183 CB TYR A 72 4.862 2.755 -1.562 1.00 0.00 C ATOM 1184 CG TYR A 72 4.703 3.511 -2.862 1.00 0.00 C ATOM 1185 CD1 TYR A 72 3.484 4.077 -3.218 1.00 0.00 C ATOM 1186 CD2 TYR A 72 5.774 3.660 -3.733 1.00 0.00 C ATOM 1187 CE1 TYR A 72 3.339 4.768 -4.406 1.00 0.00 C ATOM 1188 CE2 TYR A 72 5.637 4.349 -4.919 1.00 0.00 C ATOM 1189 CZ TYR A 72 4.420 4.901 -5.252 1.00 0.00 C ATOM 1190 OH TYR A 72 4.278 5.581 -6.438 1.00 0.00 O ATOM 0 H TYR A 72 3.380 3.765 0.350 1.00 0.00 H new ATOM 0 HA TYR A 72 2.925 1.842 -1.837 1.00 0.00 H new ATOM 0 HB2 TYR A 72 5.296 3.422 -0.817 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.570 1.940 -1.712 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.637 3.975 -2.556 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.731 3.229 -3.477 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.385 5.201 -4.670 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.481 4.456 -5.585 1.00 0.00 H new ATOM 0 HH TYR A 72 4.986 5.308 -7.058 1.00 0.00 H new ATOM 1200 N ARG A 73 3.858 -0.204 -0.720 1.00 0.00 N ATOM 1201 CA ARG A 73 4.177 -1.430 -0.001 1.00 0.00 C ATOM 1202 C ARG A 73 5.218 -2.229 -0.774 1.00 0.00 C ATOM 1203 O ARG A 73 5.045 -2.498 -1.960 1.00 0.00 O ATOM 1204 CB ARG A 73 2.916 -2.273 0.205 1.00 0.00 C ATOM 1205 CG ARG A 73 1.795 -1.525 0.908 1.00 0.00 C ATOM 1206 CD ARG A 73 1.591 -2.034 2.326 1.00 0.00 C ATOM 1207 NE ARG A 73 0.176 -2.192 2.653 1.00 0.00 N ATOM 1208 CZ ARG A 73 -0.638 -3.034 2.023 1.00 0.00 C ATOM 1209 NH1 ARG A 73 -0.179 -3.793 1.038 1.00 0.00 N ATOM 1210 NH2 ARG A 73 -1.913 -3.116 2.380 1.00 0.00 N ATOM 0 H ARG A 73 3.639 -0.341 -1.707 1.00 0.00 H new ATOM 0 HA ARG A 73 4.582 -1.167 0.976 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.558 -2.620 -0.764 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.172 -3.159 0.787 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.026 -0.460 0.932 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.870 -1.638 0.343 1.00 0.00 H new ATOM 0 HD2 ARG A 73 2.099 -2.991 2.444 1.00 0.00 H new ATOM 0 HD3 ARG A 73 2.050 -1.340 3.030 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.210 -1.624 3.408 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.801 -3.732 0.761 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.806 -4.438 0.557 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.269 -2.533 3.138 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.537 -3.762 1.897 1.00 0.00 H new ATOM 1224 N LEU A 74 6.288 -2.622 -0.092 1.00 0.00 N ATOM 1225 CA LEU A 74 7.372 -3.368 -0.725 1.00 0.00 C ATOM 1226 C LEU A 74 7.244 -4.861 -0.443 1.00 0.00 C ATOM 1227 O LEU A 74 7.302 -5.291 0.710 1.00 0.00 O ATOM 1228 CB LEU A 74 8.725 -2.851 -0.208 1.00 0.00 C ATOM 1229 CG LEU A 74 9.973 -3.211 -1.033 1.00 0.00 C ATOM 1230 CD1 LEU A 74 11.188 -3.309 -0.123 1.00 0.00 C ATOM 1231 CD2 LEU A 74 9.787 -4.511 -1.807 1.00 0.00 C ATOM 0 H LEU A 74 6.429 -2.437 0.901 1.00 0.00 H new ATOM 0 HA LEU A 74 7.312 -3.219 -1.803 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.668 -1.765 -0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.868 -3.229 0.804 1.00 0.00 H new ATOM 0 HG LEU A 74 10.129 -2.416 -1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.067 -3.564 -0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.350 -2.352 0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 74 11.019 -4.082 0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.691 -4.728 -2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.593 -5.325 -1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.944 -4.410 -2.490 1.00 0.00 H new ATOM 1243 N VAL A 75 7.083 -5.653 -1.501 1.00 0.00 N ATOM 1244 CA VAL A 75 6.972 -7.099 -1.351 1.00 0.00 C ATOM 1245 C VAL A 75 8.281 -7.673 -0.821 1.00 0.00 C ATOM 1246 O VAL A 75 9.319 -7.593 -1.477 1.00 0.00 O ATOM 1247 CB VAL A 75 6.599 -7.788 -2.685 1.00 0.00 C ATOM 1248 CG1 VAL A 75 6.627 -9.305 -2.551 1.00 0.00 C ATOM 1249 CG2 VAL A 75 5.234 -7.324 -3.153 1.00 0.00 C ATOM 0 H VAL A 75 7.027 -5.320 -2.463 1.00 0.00 H new ATOM 0 HA VAL A 75 6.171 -7.295 -0.638 1.00 0.00 H new ATOM 0 HB VAL A 75 7.343 -7.504 -3.429 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.360 -9.760 -3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.628 -9.626 -2.263 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.913 -9.616 -1.789 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.985 -7.817 -4.093 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.486 -7.577 -2.401 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.248 -6.244 -3.302 1.00 0.00 H new ATOM 1259 N GLN A 76 8.222 -8.251 0.373 1.00 0.00 N ATOM 1260 CA GLN A 76 9.406 -8.824 1.002 1.00 0.00 C ATOM 1261 C GLN A 76 9.167 -10.278 1.396 1.00 0.00 C ATOM 1262 O GLN A 76 8.028 -10.697 1.602 1.00 0.00 O ATOM 1263 CB GLN A 76 9.801 -8.007 2.235 1.00 0.00 C ATOM 1264 CG GLN A 76 11.165 -8.377 2.795 1.00 0.00 C ATOM 1265 CD GLN A 76 11.791 -7.254 3.597 1.00 0.00 C ATOM 1266 OE1 GLN A 76 11.600 -6.076 3.294 1.00 0.00 O ATOM 1267 NE2 GLN A 76 12.548 -7.614 4.629 1.00 0.00 N ATOM 0 H GLN A 76 7.368 -8.335 0.924 1.00 0.00 H new ATOM 0 HA GLN A 76 10.220 -8.794 0.278 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.798 -6.948 1.976 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.048 -8.147 3.011 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.067 -9.259 3.428 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.830 -8.646 1.974 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.680 -8.602 4.845 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.997 -6.902 5.205 1.00 0.00 H new ATOM 1276 N ASP A 77 10.247 -11.045 1.489 1.00 0.00 N ATOM 1277 CA ASP A 77 10.157 -12.453 1.857 1.00 0.00 C ATOM 1278 C ASP A 77 9.611 -12.613 3.273 1.00 0.00 C ATOM 1279 O ASP A 77 9.309 -11.581 3.909 1.00 0.00 O ATOM 1280 CB ASP A 77 11.530 -13.118 1.749 1.00 0.00 C ATOM 1281 CG ASP A 77 11.440 -14.629 1.679 1.00 0.00 C ATOM 1282 OD1 ASP A 77 11.138 -15.155 0.587 1.00 0.00 O ATOM 1283 OD2 ASP A 77 11.674 -15.287 2.715 1.00 0.00 O ATOM 1284 OXT ASP A 77 9.491 -13.768 3.732 1.00 0.00 O ATOM 0 H ASP A 77 11.196 -10.715 1.314 1.00 0.00 H new ATOM 0 HA ASP A 77 9.469 -12.940 1.166 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.041 -12.746 0.861 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.137 -12.833 2.609 1.00 0.00 H new