USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 453 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 79 THR OG1 : rot -130:sc= -0.428 USER MOD Set 1.2: A 80 ASN : amide:sc= -0.622 K(o=-1,f=-0.41) USER MOD Set 2.1: A 72 HIS : no HD1:sc= -0.7 X(o=-6.3,f=-6.2!) USER MOD Set 2.2: A 76 ASN : amide:sc= -5.56! K(o=-6.3!,f=-3.3) USER MOD Single : A 17 ASN : amide:sc= -1.27 K(o=-1.3,f=-0.0036) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.8 X(o=-0.8,f=-0.32) USER MOD Single : A 28 ASN : amide:sc= -4.14! K(o=-4.1!,f=-1.5) USER MOD Single : A 29 SER OG : rot 70:sc= 0.387 USER MOD Single : A 36 GLN : amide:sc= -2.87! K(o=-2.9!,f=-0.42) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= -0.0121 (180deg=-0.0121) USER MOD Single : A 75 LYS NZ :NH3+ -161:sc= -2.25! (180deg=-3.31!) USER MOD Single : A 81 GLN : amide:sc= -5.68! C(o=-5.7!,f=-4!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -77:sc= 1.05 USER MOD Single : A 94 THR OG1 : rot -34:sc= 0.858 USER MOD ----------------------------------------------------------------- ATOM 268 N ASN A 17 7.123 9.042 -7.325 1.00 0.00 N ATOM 269 CA ASN A 17 7.397 7.823 -8.138 1.00 0.00 C ATOM 270 C ASN A 17 6.694 6.607 -7.508 1.00 0.00 C ATOM 271 O ASN A 17 7.351 5.730 -6.983 1.00 0.00 O ATOM 272 CB ASN A 17 8.909 7.571 -8.172 1.00 0.00 C ATOM 273 CG ASN A 17 9.613 8.774 -8.804 1.00 0.00 C ATOM 274 OD1 ASN A 17 10.795 8.973 -8.604 1.00 0.00 O ATOM 275 ND2 ASN A 17 8.933 9.589 -9.563 1.00 0.00 N ATOM 0 HA ASN A 17 7.022 7.971 -9.151 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.284 7.406 -7.162 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.125 6.668 -8.743 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.394 10.393 -9.989 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.941 9.422 -9.731 1.00 0.00 H new ATOM 282 N PRO A 18 5.378 6.584 -7.570 1.00 0.00 N ATOM 283 CA PRO A 18 4.595 5.470 -6.993 1.00 0.00 C ATOM 284 C PRO A 18 4.939 4.155 -7.715 1.00 0.00 C ATOM 285 O PRO A 18 4.690 3.075 -7.216 1.00 0.00 O ATOM 286 CB PRO A 18 3.114 5.869 -7.212 1.00 0.00 C ATOM 287 CG PRO A 18 3.103 7.248 -7.938 1.00 0.00 C ATOM 288 CD PRO A 18 4.572 7.648 -8.205 1.00 0.00 C ATOM 0 HA PRO A 18 4.809 5.305 -5.937 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.599 5.117 -7.810 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.589 5.933 -6.259 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.548 7.184 -8.874 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.607 8.000 -7.324 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.776 7.713 -9.274 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.800 8.624 -7.777 1.00 0.00 H new ATOM 296 N LYS A 19 5.507 4.248 -8.883 1.00 0.00 N ATOM 297 CA LYS A 19 5.875 3.025 -9.653 1.00 0.00 C ATOM 298 C LYS A 19 6.773 2.102 -8.819 1.00 0.00 C ATOM 299 O LYS A 19 6.683 0.893 -8.913 1.00 0.00 O ATOM 300 CB LYS A 19 6.645 3.442 -10.908 1.00 0.00 C ATOM 301 CG LYS A 19 6.953 2.201 -11.749 1.00 0.00 C ATOM 302 CD LYS A 19 7.404 2.627 -13.147 1.00 0.00 C ATOM 303 CE LYS A 19 7.852 1.395 -13.935 1.00 0.00 C ATOM 304 NZ LYS A 19 8.304 1.809 -15.293 1.00 0.00 N ATOM 0 H LYS A 19 5.735 5.129 -9.344 1.00 0.00 H new ATOM 0 HA LYS A 19 4.961 2.492 -9.913 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.058 4.153 -11.489 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.571 3.946 -10.630 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.732 1.609 -11.269 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.069 1.568 -11.819 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.588 3.128 -13.667 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.223 3.343 -13.074 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.662 0.889 -13.409 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.030 0.683 -14.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.608 0.971 -15.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.519 2.273 -15.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.100 2.472 -15.207 1.00 0.00 H new ATOM 318 N THR A 20 7.658 2.648 -8.026 1.00 0.00 N ATOM 319 CA THR A 20 8.565 1.781 -7.233 1.00 0.00 C ATOM 320 C THR A 20 7.798 1.098 -6.098 1.00 0.00 C ATOM 321 O THR A 20 8.004 -0.065 -5.817 1.00 0.00 O ATOM 322 CB THR A 20 9.697 2.631 -6.657 1.00 0.00 C ATOM 323 OG1 THR A 20 10.471 3.172 -7.717 1.00 0.00 O ATOM 324 CG2 THR A 20 10.577 1.759 -5.773 1.00 0.00 C ATOM 0 H THR A 20 7.788 3.651 -7.897 1.00 0.00 H new ATOM 0 HA THR A 20 8.978 1.009 -7.883 1.00 0.00 H new ATOM 0 HB THR A 20 9.280 3.446 -6.066 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.196 3.718 -7.347 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.387 2.360 -5.359 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.980 1.346 -4.960 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.996 0.946 -6.366 1.00 0.00 H new ATOM 332 N PHE A 21 6.917 1.799 -5.442 1.00 0.00 N ATOM 333 CA PHE A 21 6.156 1.161 -4.329 1.00 0.00 C ATOM 334 C PHE A 21 5.450 -0.085 -4.888 1.00 0.00 C ATOM 335 O PHE A 21 5.302 -1.083 -4.212 1.00 0.00 O ATOM 336 CB PHE A 21 5.143 2.193 -3.749 1.00 0.00 C ATOM 337 CG PHE A 21 3.749 1.606 -3.636 1.00 0.00 C ATOM 338 CD1 PHE A 21 2.932 1.535 -4.772 1.00 0.00 C ATOM 339 CD2 PHE A 21 3.280 1.134 -2.405 1.00 0.00 C ATOM 340 CE1 PHE A 21 1.646 0.991 -4.676 1.00 0.00 C ATOM 341 CE2 PHE A 21 1.993 0.590 -2.309 1.00 0.00 C ATOM 342 CZ PHE A 21 1.176 0.520 -3.444 1.00 0.00 C ATOM 0 H PHE A 21 6.691 2.777 -5.624 1.00 0.00 H new ATOM 0 HA PHE A 21 6.815 0.853 -3.517 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.481 2.522 -2.766 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.116 3.075 -4.388 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.295 1.900 -5.722 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.910 1.189 -1.530 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.017 0.935 -5.552 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.631 0.224 -1.360 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.183 0.102 -3.369 1.00 0.00 H new ATOM 352 N PHE A 22 5.015 -0.024 -6.114 1.00 0.00 N ATOM 353 CA PHE A 22 4.320 -1.191 -6.724 1.00 0.00 C ATOM 354 C PHE A 22 5.320 -2.331 -6.956 1.00 0.00 C ATOM 355 O PHE A 22 4.983 -3.496 -6.850 1.00 0.00 O ATOM 356 CB PHE A 22 3.700 -0.761 -8.058 1.00 0.00 C ATOM 357 CG PHE A 22 2.761 -1.837 -8.547 1.00 0.00 C ATOM 358 CD1 PHE A 22 3.247 -2.882 -9.342 1.00 0.00 C ATOM 359 CD2 PHE A 22 1.404 -1.787 -8.208 1.00 0.00 C ATOM 360 CE1 PHE A 22 2.376 -3.877 -9.799 1.00 0.00 C ATOM 361 CE2 PHE A 22 0.532 -2.782 -8.665 1.00 0.00 C ATOM 362 CZ PHE A 22 1.018 -3.827 -9.460 1.00 0.00 C ATOM 0 H PHE A 22 5.111 0.788 -6.724 1.00 0.00 H new ATOM 0 HA PHE A 22 3.537 -1.543 -6.053 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.161 0.178 -7.935 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.483 -0.585 -8.795 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.294 -2.920 -9.603 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.030 -0.981 -7.594 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.751 -4.683 -10.413 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.515 -2.744 -8.404 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.345 -4.595 -9.812 1.00 0.00 H new ATOM 372 N ILE A 23 6.553 -2.014 -7.266 1.00 0.00 N ATOM 373 CA ILE A 23 7.554 -3.085 -7.499 1.00 0.00 C ATOM 374 C ILE A 23 7.929 -3.725 -6.162 1.00 0.00 C ATOM 375 O ILE A 23 7.747 -4.908 -5.956 1.00 0.00 O ATOM 376 CB ILE A 23 8.795 -2.474 -8.152 1.00 0.00 C ATOM 377 CG1 ILE A 23 8.418 -1.920 -9.530 1.00 0.00 C ATOM 378 CG2 ILE A 23 9.863 -3.552 -8.304 1.00 0.00 C ATOM 379 CD1 ILE A 23 9.592 -1.131 -10.114 1.00 0.00 C ATOM 0 H ILE A 23 6.903 -1.061 -7.366 1.00 0.00 H new ATOM 0 HA ILE A 23 7.138 -3.849 -8.156 1.00 0.00 H new ATOM 0 HB ILE A 23 9.182 -1.666 -7.531 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.149 -2.738 -10.199 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.542 -1.276 -9.446 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.750 -3.122 -8.769 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.123 -3.947 -7.322 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.480 -4.358 -8.930 1.00 0.00 H new ATOM 0 HD11 ILE A 23 9.316 -0.740 -11.094 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.840 -0.303 -9.450 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.457 -1.787 -10.215 1.00 0.00 H new ATOM 391 N LEU A 24 8.462 -2.954 -5.256 1.00 0.00 N ATOM 392 CA LEU A 24 8.864 -3.518 -3.932 1.00 0.00 C ATOM 393 C LEU A 24 7.748 -4.424 -3.359 1.00 0.00 C ATOM 394 O LEU A 24 8.030 -5.452 -2.775 1.00 0.00 O ATOM 395 CB LEU A 24 9.157 -2.358 -2.955 1.00 0.00 C ATOM 396 CG LEU A 24 10.266 -2.741 -1.952 1.00 0.00 C ATOM 397 CD1 LEU A 24 9.918 -4.068 -1.264 1.00 0.00 C ATOM 398 CD2 LEU A 24 11.630 -2.864 -2.668 1.00 0.00 C ATOM 0 H LEU A 24 8.638 -1.956 -5.373 1.00 0.00 H new ATOM 0 HA LEU A 24 9.760 -4.125 -4.063 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.460 -1.474 -3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.248 -2.096 -2.414 1.00 0.00 H new ATOM 0 HG LEU A 24 10.337 -1.954 -1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 24 10.706 -4.330 -0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.973 -3.964 -0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.827 -4.854 -2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 24 12.398 -3.135 -1.944 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.569 -3.634 -3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.886 -1.910 -3.129 1.00 0.00 H new ATOM 410 N HIS A 25 6.491 -4.066 -3.504 1.00 0.00 N ATOM 411 CA HIS A 25 5.407 -4.930 -2.947 1.00 0.00 C ATOM 412 C HIS A 25 5.155 -6.123 -3.873 1.00 0.00 C ATOM 413 O HIS A 25 4.544 -7.099 -3.483 1.00 0.00 O ATOM 414 CB HIS A 25 4.111 -4.124 -2.799 1.00 0.00 C ATOM 415 CG HIS A 25 4.301 -3.053 -1.761 1.00 0.00 C ATOM 416 ND1 HIS A 25 3.243 -2.299 -1.278 1.00 0.00 N ATOM 417 CD2 HIS A 25 5.415 -2.600 -1.100 1.00 0.00 C ATOM 418 CE1 HIS A 25 3.738 -1.441 -0.367 1.00 0.00 C ATOM 419 NE2 HIS A 25 5.059 -1.582 -0.220 1.00 0.00 N ATOM 0 H HIS A 25 6.175 -3.221 -3.980 1.00 0.00 H new ATOM 0 HA HIS A 25 5.723 -5.291 -1.968 1.00 0.00 H new ATOM 0 HB2 HIS A 25 3.839 -3.675 -3.754 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.292 -4.783 -2.511 1.00 0.00 H new ATOM 0 HD2 HIS A 25 6.417 -2.977 -1.241 1.00 0.00 H new ATOM 0 HE1 HIS A 25 3.141 -0.726 0.179 1.00 0.00 H new ATOM 0 HE2 HIS A 25 5.673 -1.057 0.402 1.00 0.00 H new ATOM 427 N ASP A 26 5.629 -6.068 -5.089 1.00 0.00 N ATOM 428 CA ASP A 26 5.417 -7.221 -6.013 1.00 0.00 C ATOM 429 C ASP A 26 6.421 -8.326 -5.657 1.00 0.00 C ATOM 430 O ASP A 26 7.566 -8.298 -6.062 1.00 0.00 O ATOM 431 CB ASP A 26 5.619 -6.760 -7.464 1.00 0.00 C ATOM 432 CG ASP A 26 4.843 -7.678 -8.414 1.00 0.00 C ATOM 433 OD1 ASP A 26 4.814 -8.871 -8.161 1.00 0.00 O ATOM 434 OD2 ASP A 26 4.292 -7.171 -9.377 1.00 0.00 O ATOM 0 H ASP A 26 6.149 -5.283 -5.480 1.00 0.00 H new ATOM 0 HA ASP A 26 4.403 -7.607 -5.910 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.278 -5.731 -7.579 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.680 -6.774 -7.715 1.00 0.00 H new ATOM 439 N ILE A 27 5.998 -9.280 -4.874 1.00 0.00 N ATOM 440 CA ILE A 27 6.902 -10.377 -4.446 1.00 0.00 C ATOM 441 C ILE A 27 7.120 -11.385 -5.581 1.00 0.00 C ATOM 442 O ILE A 27 8.238 -11.760 -5.873 1.00 0.00 O ATOM 443 CB ILE A 27 6.246 -11.062 -3.250 1.00 0.00 C ATOM 444 CG1 ILE A 27 5.831 -9.988 -2.234 1.00 0.00 C ATOM 445 CG2 ILE A 27 7.215 -12.032 -2.588 1.00 0.00 C ATOM 446 CD1 ILE A 27 5.313 -10.652 -0.952 1.00 0.00 C ATOM 0 H ILE A 27 5.048 -9.344 -4.508 1.00 0.00 H new ATOM 0 HA ILE A 27 7.880 -9.977 -4.179 1.00 0.00 H new ATOM 0 HB ILE A 27 5.375 -11.621 -3.592 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.681 -9.346 -2.003 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.057 -9.351 -2.662 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.728 -12.510 -1.738 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.517 -12.793 -3.308 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.095 -11.489 -2.244 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.021 -9.883 -0.237 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.450 -11.275 -1.188 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.099 -11.270 -0.519 1.00 0.00 H new ATOM 458 N ASN A 28 6.074 -11.834 -6.222 1.00 0.00 N ATOM 459 CA ASN A 28 6.251 -12.827 -7.334 1.00 0.00 C ATOM 460 C ASN A 28 6.446 -12.094 -8.665 1.00 0.00 C ATOM 461 O ASN A 28 6.484 -12.705 -9.714 1.00 0.00 O ATOM 462 CB ASN A 28 5.028 -13.747 -7.428 1.00 0.00 C ATOM 463 CG ASN A 28 5.316 -14.880 -8.419 1.00 0.00 C ATOM 464 OD1 ASN A 28 4.443 -15.667 -8.725 1.00 0.00 O ATOM 465 ND2 ASN A 28 6.511 -14.998 -8.938 1.00 0.00 N ATOM 0 H ASN A 28 5.110 -11.562 -6.030 1.00 0.00 H new ATOM 0 HA ASN A 28 7.133 -13.431 -7.122 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.793 -14.159 -6.447 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.156 -13.179 -7.752 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.708 -15.750 -9.598 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.246 -14.338 -8.682 1.00 0.00 H new ATOM 472 N SER A 29 6.593 -10.798 -8.634 1.00 0.00 N ATOM 473 CA SER A 29 6.811 -10.038 -9.901 1.00 0.00 C ATOM 474 C SER A 29 5.848 -10.520 -10.991 1.00 0.00 C ATOM 475 O SER A 29 6.258 -10.886 -12.074 1.00 0.00 O ATOM 476 CB SER A 29 8.248 -10.248 -10.370 1.00 0.00 C ATOM 477 OG SER A 29 8.371 -11.542 -10.944 1.00 0.00 O ATOM 0 H SER A 29 6.572 -10.231 -7.787 1.00 0.00 H new ATOM 0 HA SER A 29 6.627 -8.980 -9.714 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.519 -9.486 -11.101 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.935 -10.143 -9.531 1.00 0.00 H new ATOM 0 HG SER A 29 7.881 -11.571 -11.792 1.00 0.00 H new ATOM 483 N ASP A 30 4.568 -10.511 -10.722 1.00 0.00 N ATOM 484 CA ASP A 30 3.578 -10.956 -11.749 1.00 0.00 C ATOM 485 C ASP A 30 3.068 -9.726 -12.505 1.00 0.00 C ATOM 486 O ASP A 30 2.291 -9.828 -13.433 1.00 0.00 O ATOM 487 CB ASP A 30 2.405 -11.652 -11.056 1.00 0.00 C ATOM 488 CG ASP A 30 1.904 -10.780 -9.903 1.00 0.00 C ATOM 489 OD1 ASP A 30 2.496 -9.739 -9.673 1.00 0.00 O ATOM 490 OD2 ASP A 30 0.937 -11.170 -9.270 1.00 0.00 O ATOM 0 H ASP A 30 4.164 -10.214 -9.834 1.00 0.00 H new ATOM 0 HA ASP A 30 4.048 -11.651 -12.444 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.600 -11.828 -11.769 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.717 -12.626 -10.680 1.00 0.00 H new ATOM 495 N GLY A 31 3.505 -8.565 -12.105 1.00 0.00 N ATOM 496 CA GLY A 31 3.062 -7.312 -12.778 1.00 0.00 C ATOM 497 C GLY A 31 1.673 -6.921 -12.277 1.00 0.00 C ATOM 498 O GLY A 31 1.172 -5.862 -12.599 1.00 0.00 O ATOM 0 H GLY A 31 4.157 -8.429 -11.332 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.771 -6.509 -12.576 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.042 -7.456 -13.858 1.00 0.00 H new ATOM 502 N VAL A 32 1.058 -7.754 -11.470 1.00 0.00 N ATOM 503 CA VAL A 32 -0.296 -7.419 -10.912 1.00 0.00 C ATOM 504 C VAL A 32 -0.268 -7.693 -9.404 1.00 0.00 C ATOM 505 O VAL A 32 0.623 -8.364 -8.917 1.00 0.00 O ATOM 506 CB VAL A 32 -1.386 -8.267 -11.620 1.00 0.00 C ATOM 507 CG1 VAL A 32 -0.953 -8.542 -13.062 1.00 0.00 C ATOM 508 CG2 VAL A 32 -1.620 -9.602 -10.893 1.00 0.00 C ATOM 0 H VAL A 32 1.435 -8.654 -11.172 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.536 -6.370 -11.085 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.320 -7.705 -11.605 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.716 -9.138 -13.564 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.825 -7.597 -13.590 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.009 -9.088 -13.061 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.389 -10.171 -11.415 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.693 -10.175 -10.877 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.944 -9.408 -9.871 1.00 0.00 H new ATOM 518 N LEU A 33 -1.234 -7.208 -8.668 1.00 0.00 N ATOM 519 CA LEU A 33 -1.269 -7.471 -7.176 1.00 0.00 C ATOM 520 C LEU A 33 -2.534 -8.285 -6.876 1.00 0.00 C ATOM 521 O LEU A 33 -3.629 -7.883 -7.215 1.00 0.00 O ATOM 522 CB LEU A 33 -1.262 -6.129 -6.383 1.00 0.00 C ATOM 523 CG LEU A 33 -0.365 -6.239 -5.133 1.00 0.00 C ATOM 524 CD1 LEU A 33 1.121 -6.138 -5.524 1.00 0.00 C ATOM 525 CD2 LEU A 33 -0.698 -5.097 -4.169 1.00 0.00 C ATOM 0 H LEU A 33 -2.004 -6.641 -9.024 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.386 -8.029 -6.865 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.903 -5.324 -7.024 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.278 -5.871 -6.086 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.546 -7.203 -4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.739 -6.218 -4.630 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.372 -6.946 -6.211 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.305 -5.179 -6.008 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.066 -5.172 -3.284 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.521 -4.141 -4.662 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.745 -5.164 -3.873 1.00 0.00 H new ATOM 537 N ASP A 34 -2.391 -9.443 -6.265 1.00 0.00 N ATOM 538 CA ASP A 34 -3.594 -10.302 -5.974 1.00 0.00 C ATOM 539 C ASP A 34 -3.980 -10.223 -4.499 1.00 0.00 C ATOM 540 O ASP A 34 -3.364 -9.538 -3.707 1.00 0.00 O ATOM 541 CB ASP A 34 -3.305 -11.767 -6.345 1.00 0.00 C ATOM 542 CG ASP A 34 -2.254 -12.341 -5.392 1.00 0.00 C ATOM 543 OD1 ASP A 34 -1.589 -11.558 -4.733 1.00 0.00 O ATOM 544 OD2 ASP A 34 -2.132 -13.554 -5.338 1.00 0.00 O ATOM 0 H ASP A 34 -1.499 -9.830 -5.956 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.423 -9.929 -6.575 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.221 -12.354 -6.288 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -2.950 -11.829 -7.374 1.00 0.00 H new ATOM 549 N GLU A 35 -5.017 -10.926 -4.144 1.00 0.00 N ATOM 550 CA GLU A 35 -5.505 -10.926 -2.733 1.00 0.00 C ATOM 551 C GLU A 35 -4.495 -11.622 -1.820 1.00 0.00 C ATOM 552 O GLU A 35 -4.628 -11.602 -0.616 1.00 0.00 O ATOM 553 CB GLU A 35 -6.834 -11.672 -2.662 1.00 0.00 C ATOM 554 CG GLU A 35 -7.928 -10.854 -3.354 1.00 0.00 C ATOM 555 CD GLU A 35 -9.298 -11.451 -3.025 1.00 0.00 C ATOM 556 OE1 GLU A 35 -9.641 -12.457 -3.622 1.00 0.00 O ATOM 557 OE2 GLU A 35 -9.978 -10.891 -2.182 1.00 0.00 O ATOM 0 H GLU A 35 -5.558 -11.511 -4.781 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.632 -9.895 -2.404 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.740 -12.647 -3.140 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.105 -11.852 -1.622 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.884 -9.816 -3.025 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.769 -10.854 -4.432 1.00 0.00 H new ATOM 564 N GLN A 36 -3.491 -12.236 -2.368 1.00 0.00 N ATOM 565 CA GLN A 36 -2.481 -12.927 -1.515 1.00 0.00 C ATOM 566 C GLN A 36 -1.420 -11.921 -1.074 1.00 0.00 C ATOM 567 O GLN A 36 -1.062 -11.849 0.085 1.00 0.00 O ATOM 568 CB GLN A 36 -1.818 -14.054 -2.311 1.00 0.00 C ATOM 569 CG GLN A 36 -2.894 -14.958 -2.920 1.00 0.00 C ATOM 570 CD GLN A 36 -3.587 -15.758 -1.809 1.00 0.00 C ATOM 571 OE1 GLN A 36 -4.550 -16.454 -2.061 1.00 0.00 O ATOM 572 NE2 GLN A 36 -3.136 -15.688 -0.582 1.00 0.00 N ATOM 0 H GLN A 36 -3.322 -12.292 -3.372 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.973 -13.348 -0.638 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.192 -13.636 -3.099 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.165 -14.636 -1.661 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.626 -14.356 -3.459 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.445 -15.637 -3.644 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -2.327 -15.104 -0.368 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -3.593 -16.217 0.160 1.00 0.00 H new ATOM 581 N GLU A 37 -0.919 -11.140 -1.987 1.00 0.00 N ATOM 582 CA GLU A 37 0.113 -10.135 -1.614 1.00 0.00 C ATOM 583 C GLU A 37 -0.565 -8.988 -0.857 1.00 0.00 C ATOM 584 O GLU A 37 0.029 -8.350 -0.014 1.00 0.00 O ATOM 585 CB GLU A 37 0.800 -9.604 -2.880 1.00 0.00 C ATOM 586 CG GLU A 37 1.443 -10.769 -3.637 1.00 0.00 C ATOM 587 CD GLU A 37 2.329 -10.224 -4.758 1.00 0.00 C ATOM 588 OE1 GLU A 37 2.772 -9.093 -4.641 1.00 0.00 O ATOM 589 OE2 GLU A 37 2.549 -10.946 -5.717 1.00 0.00 O ATOM 0 H GLU A 37 -1.178 -11.153 -2.973 1.00 0.00 H new ATOM 0 HA GLU A 37 0.868 -10.595 -0.976 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.073 -9.099 -3.517 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.557 -8.867 -2.614 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.036 -11.377 -2.954 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.671 -11.417 -4.052 1.00 0.00 H new ATOM 596 N LEU A 38 -1.812 -8.732 -1.153 1.00 0.00 N ATOM 597 CA LEU A 38 -2.555 -7.639 -0.462 1.00 0.00 C ATOM 598 C LEU A 38 -3.019 -8.119 0.920 1.00 0.00 C ATOM 599 O LEU A 38 -2.957 -7.382 1.883 1.00 0.00 O ATOM 600 CB LEU A 38 -3.775 -7.249 -1.327 1.00 0.00 C ATOM 601 CG LEU A 38 -4.572 -6.064 -0.695 1.00 0.00 C ATOM 602 CD1 LEU A 38 -4.079 -4.717 -1.246 1.00 0.00 C ATOM 603 CD2 LEU A 38 -6.069 -6.196 -1.025 1.00 0.00 C ATOM 0 H LEU A 38 -2.353 -9.240 -1.853 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.907 -6.773 -0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.439 -6.971 -2.326 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.432 -8.111 -1.440 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.416 -6.099 0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.649 -3.907 -0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.022 -4.593 -1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.216 -4.694 -2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.615 -5.364 -0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.206 -6.182 -2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.449 -7.136 -0.624 1.00 0.00 H new ATOM 615 N GLU A 39 -3.480 -9.335 1.042 1.00 0.00 N ATOM 616 CA GLU A 39 -3.930 -9.809 2.381 1.00 0.00 C ATOM 617 C GLU A 39 -2.711 -10.093 3.261 1.00 0.00 C ATOM 618 O GLU A 39 -2.680 -9.741 4.423 1.00 0.00 O ATOM 619 CB GLU A 39 -4.770 -11.079 2.238 1.00 0.00 C ATOM 620 CG GLU A 39 -6.089 -10.742 1.536 1.00 0.00 C ATOM 621 CD GLU A 39 -7.015 -10.007 2.507 1.00 0.00 C ATOM 622 OE1 GLU A 39 -7.376 -10.597 3.513 1.00 0.00 O ATOM 623 OE2 GLU A 39 -7.349 -8.867 2.229 1.00 0.00 O ATOM 0 H GLU A 39 -3.564 -10.012 0.284 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.540 -9.034 2.844 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.222 -11.828 1.666 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.968 -11.510 3.220 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.898 -10.122 0.660 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.568 -11.655 1.182 1.00 0.00 H new ATOM 630 N ALA A 40 -1.708 -10.742 2.727 1.00 0.00 N ATOM 631 CA ALA A 40 -0.513 -11.051 3.557 1.00 0.00 C ATOM 632 C ALA A 40 0.269 -9.771 3.876 1.00 0.00 C ATOM 633 O ALA A 40 0.885 -9.657 4.919 1.00 0.00 O ATOM 634 CB ALA A 40 0.418 -12.014 2.831 1.00 0.00 C ATOM 0 H ALA A 40 -1.667 -11.067 1.761 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.868 -11.509 4.480 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.284 -12.225 3.458 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.112 -12.943 2.620 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.749 -11.564 1.895 1.00 0.00 H new ATOM 640 N LEU A 41 0.273 -8.814 2.986 1.00 0.00 N ATOM 641 CA LEU A 41 1.045 -7.561 3.251 1.00 0.00 C ATOM 642 C LEU A 41 0.290 -6.664 4.248 1.00 0.00 C ATOM 643 O LEU A 41 0.893 -5.890 4.965 1.00 0.00 O ATOM 644 CB LEU A 41 1.287 -6.809 1.928 1.00 0.00 C ATOM 645 CG LEU A 41 2.059 -5.504 2.179 1.00 0.00 C ATOM 646 CD1 LEU A 41 3.402 -5.802 2.866 1.00 0.00 C ATOM 647 CD2 LEU A 41 2.309 -4.812 0.834 1.00 0.00 C ATOM 0 H LEU A 41 -0.220 -8.843 2.094 1.00 0.00 H new ATOM 0 HA LEU A 41 2.007 -7.825 3.690 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.848 -7.443 1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.333 -6.587 1.450 1.00 0.00 H new ATOM 0 HG LEU A 41 1.473 -4.855 2.830 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.938 -4.869 3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.221 -6.297 3.820 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.001 -6.452 2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.856 -3.884 0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.894 -5.469 0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.355 -4.590 0.356 1.00 0.00 H new ATOM 659 N PHE A 42 -1.018 -6.747 4.303 1.00 0.00 N ATOM 660 CA PHE A 42 -1.771 -5.874 5.262 1.00 0.00 C ATOM 661 C PHE A 42 -1.739 -6.511 6.660 1.00 0.00 C ATOM 662 O PHE A 42 -1.424 -5.866 7.644 1.00 0.00 O ATOM 663 CB PHE A 42 -3.245 -5.681 4.789 1.00 0.00 C ATOM 664 CG PHE A 42 -3.501 -4.216 4.469 1.00 0.00 C ATOM 665 CD1 PHE A 42 -3.153 -3.701 3.210 1.00 0.00 C ATOM 666 CD2 PHE A 42 -4.073 -3.371 5.433 1.00 0.00 C ATOM 667 CE1 PHE A 42 -3.375 -2.349 2.921 1.00 0.00 C ATOM 668 CE2 PHE A 42 -4.295 -2.022 5.138 1.00 0.00 C ATOM 669 CZ PHE A 42 -3.947 -1.512 3.883 1.00 0.00 C ATOM 0 H PHE A 42 -1.591 -7.371 3.735 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.297 -4.893 5.299 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -3.436 -6.293 3.907 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.932 -6.018 5.566 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.714 -4.348 2.465 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.342 -3.763 6.403 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.104 -1.953 1.954 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.736 -1.373 5.880 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.120 -0.470 3.657 1.00 0.00 H new ATOM 679 N THR A 43 -2.077 -7.766 6.752 1.00 0.00 N ATOM 680 CA THR A 43 -2.092 -8.445 8.077 1.00 0.00 C ATOM 681 C THR A 43 -0.688 -8.464 8.694 1.00 0.00 C ATOM 682 O THR A 43 -0.525 -8.228 9.875 1.00 0.00 O ATOM 683 CB THR A 43 -2.598 -9.883 7.894 1.00 0.00 C ATOM 684 OG1 THR A 43 -3.982 -9.851 7.573 1.00 0.00 O ATOM 685 CG2 THR A 43 -2.397 -10.683 9.185 1.00 0.00 C ATOM 0 H THR A 43 -2.345 -8.354 5.963 1.00 0.00 H new ATOM 0 HA THR A 43 -2.753 -7.898 8.750 1.00 0.00 H new ATOM 0 HB THR A 43 -2.038 -10.360 7.090 1.00 0.00 H new ATOM 0 HG1 THR A 43 -4.311 -10.766 7.453 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.760 -11.701 9.042 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.337 -10.707 9.437 1.00 0.00 H new ATOM 0 HG23 THR A 43 -2.951 -10.211 9.996 1.00 0.00 H new ATOM 1057 N ARG A 66 -8.776 -3.628 11.178 1.00 0.00 N ATOM 1058 CA ARG A 66 -8.408 -4.492 10.021 1.00 0.00 C ATOM 1059 C ARG A 66 -9.511 -4.418 8.957 1.00 0.00 C ATOM 1060 O ARG A 66 -9.243 -4.438 7.772 1.00 0.00 O ATOM 1061 CB ARG A 66 -8.247 -5.945 10.525 1.00 0.00 C ATOM 1062 CG ARG A 66 -8.276 -6.930 9.347 1.00 0.00 C ATOM 1063 CD ARG A 66 -7.613 -8.250 9.754 1.00 0.00 C ATOM 1064 NE ARG A 66 -7.717 -9.223 8.631 1.00 0.00 N ATOM 1065 CZ ARG A 66 -6.980 -10.301 8.630 1.00 0.00 C ATOM 1066 NH1 ARG A 66 -6.152 -10.528 9.613 1.00 0.00 N ATOM 1067 NH2 ARG A 66 -7.072 -11.152 7.645 1.00 0.00 N ATOM 0 HA ARG A 66 -7.472 -4.154 9.577 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.307 -6.046 11.068 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.047 -6.184 11.226 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.306 -7.110 9.038 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.756 -6.501 8.490 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.566 -8.081 10.007 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.096 -8.653 10.644 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.364 -9.047 7.862 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.080 -9.863 10.383 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.577 -11.370 9.611 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.719 -10.975 6.877 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.497 -11.994 7.643 1.00 0.00 H new ATOM 1081 N LEU A 67 -10.748 -4.339 9.366 1.00 0.00 N ATOM 1082 CA LEU A 67 -11.858 -4.274 8.372 1.00 0.00 C ATOM 1083 C LEU A 67 -12.025 -2.837 7.864 1.00 0.00 C ATOM 1084 O LEU A 67 -12.473 -2.610 6.758 1.00 0.00 O ATOM 1085 CB LEU A 67 -13.162 -4.734 9.032 1.00 0.00 C ATOM 1086 CG LEU A 67 -13.008 -6.173 9.553 1.00 0.00 C ATOM 1087 CD1 LEU A 67 -14.100 -6.464 10.586 1.00 0.00 C ATOM 1088 CD2 LEU A 67 -13.134 -7.176 8.397 1.00 0.00 C ATOM 0 H LEU A 67 -11.038 -4.317 10.344 1.00 0.00 H new ATOM 0 HA LEU A 67 -11.621 -4.926 7.531 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.418 -4.066 9.854 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -13.980 -4.684 8.314 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.024 -6.274 10.011 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -13.990 -7.484 10.954 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -14.009 -5.766 11.418 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -15.080 -6.350 10.122 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -13.023 -8.190 8.781 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -14.113 -7.071 7.929 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -12.356 -6.980 7.659 1.00 0.00 H new ATOM 1100 N ARG A 68 -11.682 -1.864 8.664 1.00 0.00 N ATOM 1101 CA ARG A 68 -11.840 -0.447 8.222 1.00 0.00 C ATOM 1102 C ARG A 68 -10.870 -0.151 7.066 1.00 0.00 C ATOM 1103 O ARG A 68 -11.215 0.521 6.113 1.00 0.00 O ATOM 1104 CB ARG A 68 -11.558 0.489 9.421 1.00 0.00 C ATOM 1105 CG ARG A 68 -12.469 1.728 9.371 1.00 0.00 C ATOM 1106 CD ARG A 68 -12.147 2.576 8.136 1.00 0.00 C ATOM 1107 NE ARG A 68 -10.672 2.735 8.004 1.00 0.00 N ATOM 1108 CZ ARG A 68 -10.161 3.166 6.883 1.00 0.00 C ATOM 1109 NH1 ARG A 68 -10.944 3.459 5.880 1.00 0.00 N ATOM 1110 NH2 ARG A 68 -8.870 3.305 6.765 1.00 0.00 N ATOM 0 H ARG A 68 -11.300 -1.987 9.602 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.857 -0.279 7.868 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -11.719 -0.050 10.355 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.513 0.799 9.409 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -13.514 1.419 9.346 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -12.335 2.323 10.274 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -12.552 2.102 7.242 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -12.621 3.554 8.221 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.062 2.507 8.789 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.954 3.351 5.973 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.546 3.796 5.004 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.259 3.077 7.549 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.471 3.642 5.889 1.00 0.00 H new ATOM 1124 N MET A 69 -9.664 -0.648 7.139 1.00 0.00 N ATOM 1125 CA MET A 69 -8.680 -0.391 6.042 1.00 0.00 C ATOM 1126 C MET A 69 -8.874 -1.414 4.917 1.00 0.00 C ATOM 1127 O MET A 69 -8.977 -1.056 3.759 1.00 0.00 O ATOM 1128 CB MET A 69 -7.244 -0.483 6.587 1.00 0.00 C ATOM 1129 CG MET A 69 -7.150 0.141 7.991 1.00 0.00 C ATOM 1130 SD MET A 69 -5.461 0.737 8.269 1.00 0.00 S ATOM 1131 CE MET A 69 -4.812 -0.746 9.082 1.00 0.00 C ATOM 0 H MET A 69 -9.316 -1.220 7.909 1.00 0.00 H new ATOM 0 HA MET A 69 -8.846 0.611 5.648 1.00 0.00 H new ATOM 0 HB2 MET A 69 -6.932 -1.527 6.626 1.00 0.00 H new ATOM 0 HB3 MET A 69 -6.560 0.029 5.910 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.858 0.964 8.084 1.00 0.00 H new ATOM 0 HG3 MET A 69 -7.417 -0.596 8.748 1.00 0.00 H new ATOM 0 HE1 MET A 69 -3.765 -0.590 9.342 1.00 0.00 H new ATOM 0 HE2 MET A 69 -5.385 -0.945 9.988 1.00 0.00 H new ATOM 0 HE3 MET A 69 -4.895 -1.597 8.406 1.00 0.00 H new ATOM 1141 N ARG A 70 -8.922 -2.676 5.231 1.00 0.00 N ATOM 1142 CA ARG A 70 -9.107 -3.701 4.161 1.00 0.00 C ATOM 1143 C ARG A 70 -10.353 -3.372 3.330 1.00 0.00 C ATOM 1144 O ARG A 70 -10.440 -3.724 2.170 1.00 0.00 O ATOM 1145 CB ARG A 70 -9.266 -5.081 4.800 1.00 0.00 C ATOM 1146 CG ARG A 70 -9.211 -6.159 3.716 1.00 0.00 C ATOM 1147 CD ARG A 70 -9.454 -7.531 4.350 1.00 0.00 C ATOM 1148 NE ARG A 70 -10.855 -7.601 4.853 1.00 0.00 N ATOM 1149 CZ ARG A 70 -11.379 -8.755 5.166 1.00 0.00 C ATOM 1150 NH1 ARG A 70 -10.675 -9.846 5.044 1.00 0.00 N ATOM 1151 NH2 ARG A 70 -12.606 -8.815 5.605 1.00 0.00 N ATOM 0 H ARG A 70 -8.842 -3.045 6.179 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.234 -3.699 3.508 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.476 -5.247 5.532 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.214 -5.138 5.335 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -9.963 -5.961 2.952 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.241 -6.142 3.220 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.279 -8.319 3.617 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -8.753 -7.695 5.168 1.00 0.00 H new ATOM 0 HE ARG A 70 -11.404 -6.747 4.953 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.715 -9.798 4.704 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -11.085 -10.747 5.289 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.155 -7.961 5.703 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -13.017 -9.716 5.850 1.00 0.00 H new ATOM 1165 N GLU A 71 -11.321 -2.709 3.903 1.00 0.00 N ATOM 1166 CA GLU A 71 -12.553 -2.375 3.126 1.00 0.00 C ATOM 1167 C GLU A 71 -12.302 -1.147 2.242 1.00 0.00 C ATOM 1168 O GLU A 71 -12.563 -1.163 1.055 1.00 0.00 O ATOM 1169 CB GLU A 71 -13.704 -2.084 4.096 1.00 0.00 C ATOM 1170 CG GLU A 71 -14.235 -3.399 4.672 1.00 0.00 C ATOM 1171 CD GLU A 71 -15.252 -3.105 5.777 1.00 0.00 C ATOM 1172 OE1 GLU A 71 -14.829 -2.857 6.894 1.00 0.00 O ATOM 1173 OE2 GLU A 71 -16.436 -3.132 5.486 1.00 0.00 O ATOM 0 H GLU A 71 -11.314 -2.385 4.870 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.815 -3.221 2.490 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.359 -1.436 4.901 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -14.503 -1.553 3.579 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.701 -3.991 3.884 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.411 -3.991 5.071 1.00 0.00 H new ATOM 1180 N HIS A 72 -11.800 -0.084 2.807 1.00 0.00 N ATOM 1181 CA HIS A 72 -11.536 1.146 1.998 1.00 0.00 C ATOM 1182 C HIS A 72 -10.646 0.817 0.793 1.00 0.00 C ATOM 1183 O HIS A 72 -10.792 1.405 -0.260 1.00 0.00 O ATOM 1184 CB HIS A 72 -10.840 2.196 2.869 1.00 0.00 C ATOM 1185 CG HIS A 72 -10.850 3.524 2.160 1.00 0.00 C ATOM 1186 ND1 HIS A 72 -11.694 4.557 2.535 1.00 0.00 N ATOM 1187 CD2 HIS A 72 -10.125 4.002 1.096 1.00 0.00 C ATOM 1188 CE1 HIS A 72 -11.458 5.594 1.711 1.00 0.00 C ATOM 1189 NE2 HIS A 72 -10.510 5.309 0.815 1.00 0.00 N ATOM 0 H HIS A 72 -11.560 -0.011 3.796 1.00 0.00 H new ATOM 0 HA HIS A 72 -12.488 1.536 1.639 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -11.348 2.281 3.830 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.814 1.890 3.076 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -9.370 3.447 0.559 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -11.973 6.542 1.767 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -10.146 5.918 0.082 1.00 0.00 H new ATOM 1197 N VAL A 73 -9.728 -0.099 0.921 1.00 0.00 N ATOM 1198 CA VAL A 73 -8.855 -0.416 -0.248 1.00 0.00 C ATOM 1199 C VAL A 73 -9.650 -1.201 -1.296 1.00 0.00 C ATOM 1200 O VAL A 73 -9.710 -0.827 -2.450 1.00 0.00 O ATOM 1201 CB VAL A 73 -7.650 -1.243 0.207 1.00 0.00 C ATOM 1202 CG1 VAL A 73 -6.851 -1.688 -1.019 1.00 0.00 C ATOM 1203 CG2 VAL A 73 -6.766 -0.388 1.117 1.00 0.00 C ATOM 0 H VAL A 73 -9.544 -0.636 1.769 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.504 0.517 -0.688 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.990 -2.122 0.755 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.992 -2.277 -0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.485 -2.293 -1.667 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.506 -0.811 -1.566 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.906 -0.973 1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.421 0.489 0.569 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.340 -0.070 1.987 1.00 0.00 H new ATOM 1213 N MET A 74 -10.259 -2.285 -0.906 1.00 0.00 N ATOM 1214 CA MET A 74 -11.045 -3.089 -1.884 1.00 0.00 C ATOM 1215 C MET A 74 -12.206 -2.249 -2.433 1.00 0.00 C ATOM 1216 O MET A 74 -12.789 -2.584 -3.438 1.00 0.00 O ATOM 1217 CB MET A 74 -11.590 -4.354 -1.191 1.00 0.00 C ATOM 1218 CG MET A 74 -10.570 -5.494 -1.303 1.00 0.00 C ATOM 1219 SD MET A 74 -10.559 -6.125 -3.003 1.00 0.00 S ATOM 1220 CE MET A 74 -10.419 -7.888 -2.612 1.00 0.00 C ATOM 0 H MET A 74 -10.247 -2.649 0.047 1.00 0.00 H new ATOM 0 HA MET A 74 -10.400 -3.384 -2.712 1.00 0.00 H new ATOM 0 HB2 MET A 74 -11.798 -4.143 -0.142 1.00 0.00 H new ATOM 0 HB3 MET A 74 -12.533 -4.652 -1.649 1.00 0.00 H new ATOM 0 HG2 MET A 74 -9.577 -5.137 -1.029 1.00 0.00 H new ATOM 0 HG3 MET A 74 -10.824 -6.294 -0.608 1.00 0.00 H new ATOM 0 HE1 MET A 74 -10.396 -8.465 -3.536 1.00 0.00 H new ATOM 0 HE2 MET A 74 -9.501 -8.064 -2.051 1.00 0.00 H new ATOM 0 HE3 MET A 74 -11.276 -8.197 -2.013 1.00 0.00 H new ATOM 1230 N LYS A 75 -12.570 -1.181 -1.778 1.00 0.00 N ATOM 1231 CA LYS A 75 -13.714 -0.356 -2.276 1.00 0.00 C ATOM 1232 C LYS A 75 -13.217 0.801 -3.155 1.00 0.00 C ATOM 1233 O LYS A 75 -13.849 1.163 -4.129 1.00 0.00 O ATOM 1234 CB LYS A 75 -14.458 0.233 -1.074 1.00 0.00 C ATOM 1235 CG LYS A 75 -15.841 0.776 -1.511 1.00 0.00 C ATOM 1236 CD LYS A 75 -16.189 2.067 -0.748 1.00 0.00 C ATOM 1237 CE LYS A 75 -16.206 1.819 0.769 1.00 0.00 C ATOM 1238 NZ LYS A 75 -16.562 0.399 1.054 1.00 0.00 N ATOM 0 H LYS A 75 -12.129 -0.843 -0.923 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.369 -0.994 -2.869 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.586 -0.531 -0.307 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.868 1.035 -0.630 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -15.837 0.972 -2.583 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -16.607 0.022 -1.327 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -15.461 2.842 -0.986 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -17.163 2.434 -1.072 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -15.229 2.049 1.194 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -16.925 2.485 1.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.884 0.313 2.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -17.324 0.097 0.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.727 -0.204 0.908 1.00 0.00 H new ATOM 1252 N ASN A 76 -12.116 1.411 -2.799 1.00 0.00 N ATOM 1253 CA ASN A 76 -11.608 2.582 -3.589 1.00 0.00 C ATOM 1254 C ASN A 76 -10.508 2.179 -4.586 1.00 0.00 C ATOM 1255 O ASN A 76 -10.123 2.983 -5.411 1.00 0.00 O ATOM 1256 CB ASN A 76 -11.067 3.647 -2.623 1.00 0.00 C ATOM 1257 CG ASN A 76 -12.237 4.331 -1.914 1.00 0.00 C ATOM 1258 OD1 ASN A 76 -12.107 5.437 -1.429 1.00 0.00 O ATOM 1259 ND2 ASN A 76 -13.384 3.713 -1.833 1.00 0.00 N ATOM 0 H ASN A 76 -11.544 1.152 -1.996 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.441 2.981 -4.168 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.403 3.187 -1.891 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.478 4.383 -3.169 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -14.171 4.159 -1.362 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -13.493 2.784 -2.240 1.00 0.00 H new ATOM 1266 N VAL A 77 -9.995 0.965 -4.541 1.00 0.00 N ATOM 1267 CA VAL A 77 -8.918 0.568 -5.523 1.00 0.00 C ATOM 1268 C VAL A 77 -9.415 -0.561 -6.435 1.00 0.00 C ATOM 1269 O VAL A 77 -9.069 -0.614 -7.598 1.00 0.00 O ATOM 1270 CB VAL A 77 -7.662 0.116 -4.773 1.00 0.00 C ATOM 1271 CG1 VAL A 77 -6.631 -0.402 -5.784 1.00 0.00 C ATOM 1272 CG2 VAL A 77 -7.065 1.313 -4.025 1.00 0.00 C ATOM 0 H VAL A 77 -10.269 0.240 -3.878 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.674 1.434 -6.138 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.920 -0.673 -4.067 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.734 -0.725 -5.256 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.052 -1.244 -6.334 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.374 0.395 -6.482 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.170 0.997 -3.489 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.804 2.094 -4.739 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.796 1.700 -3.315 1.00 0.00 H new ATOM 1282 N ASP A 78 -10.235 -1.453 -5.941 1.00 0.00 N ATOM 1283 CA ASP A 78 -10.749 -2.547 -6.825 1.00 0.00 C ATOM 1284 C ASP A 78 -11.269 -1.936 -8.126 1.00 0.00 C ATOM 1285 O ASP A 78 -12.281 -1.262 -8.155 1.00 0.00 O ATOM 1286 CB ASP A 78 -11.880 -3.299 -6.123 1.00 0.00 C ATOM 1287 CG ASP A 78 -13.110 -2.396 -5.988 1.00 0.00 C ATOM 1288 OD1 ASP A 78 -12.936 -1.243 -5.634 1.00 0.00 O ATOM 1289 OD2 ASP A 78 -14.202 -2.874 -6.245 1.00 0.00 O ATOM 0 H ASP A 78 -10.568 -1.474 -4.977 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.942 -3.247 -7.042 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.137 -4.195 -6.689 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.551 -3.628 -5.137 1.00 0.00 H new ATOM 1294 N THR A 79 -10.563 -2.129 -9.198 1.00 0.00 N ATOM 1295 CA THR A 79 -10.977 -1.532 -10.492 1.00 0.00 C ATOM 1296 C THR A 79 -12.029 -2.408 -11.184 1.00 0.00 C ATOM 1297 O THR A 79 -13.166 -2.007 -11.336 1.00 0.00 O ATOM 1298 CB THR A 79 -9.724 -1.375 -11.382 1.00 0.00 C ATOM 1299 OG1 THR A 79 -9.964 -1.933 -12.667 1.00 0.00 O ATOM 1300 CG2 THR A 79 -8.511 -2.085 -10.729 1.00 0.00 C ATOM 0 H THR A 79 -9.706 -2.681 -9.234 1.00 0.00 H new ATOM 0 HA THR A 79 -11.430 -0.556 -10.318 1.00 0.00 H new ATOM 0 HB THR A 79 -9.504 -0.313 -11.486 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.229 -2.536 -12.904 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.634 -1.967 -11.366 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.313 -1.642 -9.753 1.00 0.00 H new ATOM 0 HG23 THR A 79 -8.732 -3.146 -10.608 1.00 0.00 H new ATOM 1308 N ASN A 80 -11.668 -3.590 -11.607 1.00 0.00 N ATOM 1309 CA ASN A 80 -12.659 -4.487 -12.298 1.00 0.00 C ATOM 1310 C ASN A 80 -13.094 -5.591 -11.341 1.00 0.00 C ATOM 1311 O ASN A 80 -13.527 -6.650 -11.754 1.00 0.00 O ATOM 1312 CB ASN A 80 -12.025 -5.105 -13.545 1.00 0.00 C ATOM 1313 CG ASN A 80 -11.453 -3.997 -14.430 1.00 0.00 C ATOM 1314 OD1 ASN A 80 -10.446 -4.184 -15.084 1.00 0.00 O ATOM 1315 ND2 ASN A 80 -12.056 -2.841 -14.477 1.00 0.00 N ATOM 0 H ASN A 80 -10.731 -3.979 -11.507 1.00 0.00 H new ATOM 0 HA ASN A 80 -13.527 -3.900 -12.597 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -11.236 -5.800 -13.258 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -12.769 -5.679 -14.098 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -11.682 -2.094 -15.063 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -12.901 -2.684 -13.928 1.00 0.00 H new ATOM 1322 N GLN A 81 -13.003 -5.332 -10.066 1.00 0.00 N ATOM 1323 CA GLN A 81 -13.422 -6.328 -9.037 1.00 0.00 C ATOM 1324 C GLN A 81 -13.065 -7.755 -9.471 1.00 0.00 C ATOM 1325 O GLN A 81 -13.676 -8.714 -9.043 1.00 0.00 O ATOM 1326 CB GLN A 81 -14.937 -6.220 -8.805 1.00 0.00 C ATOM 1327 CG GLN A 81 -15.244 -5.034 -7.879 1.00 0.00 C ATOM 1328 CD GLN A 81 -14.967 -5.430 -6.425 1.00 0.00 C ATOM 1329 OE1 GLN A 81 -15.409 -4.767 -5.508 1.00 0.00 O ATOM 1330 NE2 GLN A 81 -14.252 -6.493 -6.176 1.00 0.00 N ATOM 0 H GLN A 81 -12.649 -4.454 -9.686 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.890 -6.111 -8.111 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -15.451 -6.090 -9.758 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -15.312 -7.143 -8.363 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.631 -4.176 -8.156 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.285 -4.732 -7.992 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.881 -7.050 -6.946 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -14.064 -6.767 -5.212 1.00 0.00 H new ATOM 1339 N ASP A 82 -12.066 -7.905 -10.291 1.00 0.00 N ATOM 1340 CA ASP A 82 -11.655 -9.272 -10.716 1.00 0.00 C ATOM 1341 C ASP A 82 -10.789 -9.837 -9.603 1.00 0.00 C ATOM 1342 O ASP A 82 -10.099 -10.824 -9.759 1.00 0.00 O ATOM 1343 CB ASP A 82 -10.846 -9.198 -12.015 1.00 0.00 C ATOM 1344 CG ASP A 82 -10.567 -10.615 -12.519 1.00 0.00 C ATOM 1345 OD1 ASP A 82 -11.139 -11.542 -11.968 1.00 0.00 O ATOM 1346 OD2 ASP A 82 -9.786 -10.750 -13.447 1.00 0.00 O ATOM 0 H ASP A 82 -11.516 -7.142 -10.686 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.526 -9.902 -10.896 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.396 -8.634 -12.768 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.908 -8.670 -11.843 1.00 0.00 H new ATOM 1351 N ARG A 83 -10.817 -9.172 -8.482 1.00 0.00 N ATOM 1352 CA ARG A 83 -10.001 -9.588 -7.311 1.00 0.00 C ATOM 1353 C ARG A 83 -8.524 -9.428 -7.662 1.00 0.00 C ATOM 1354 O ARG A 83 -7.656 -9.590 -6.828 1.00 0.00 O ATOM 1355 CB ARG A 83 -10.301 -11.040 -6.917 1.00 0.00 C ATOM 1356 CG ARG A 83 -11.823 -11.270 -6.912 1.00 0.00 C ATOM 1357 CD ARG A 83 -12.132 -12.644 -6.309 1.00 0.00 C ATOM 1358 NE ARG A 83 -13.604 -12.872 -6.322 1.00 0.00 N ATOM 1359 CZ ARG A 83 -14.080 -14.074 -6.145 1.00 0.00 C ATOM 1360 NH1 ARG A 83 -13.267 -15.078 -5.962 1.00 0.00 N ATOM 1361 NH2 ARG A 83 -15.369 -14.273 -6.153 1.00 0.00 N ATOM 0 H ARG A 83 -11.385 -8.339 -8.327 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.251 -8.958 -6.458 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.822 -11.724 -7.618 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.888 -11.253 -5.931 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.317 -10.489 -6.335 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.213 -11.211 -7.928 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.627 -13.425 -6.878 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.754 -12.698 -5.288 1.00 0.00 H new ATOM 0 HE ARG A 83 -14.240 -12.088 -6.469 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.259 -14.923 -5.957 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.640 -16.017 -5.824 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -16.005 -13.489 -6.298 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -15.741 -15.213 -6.015 1.00 0.00 H new ATOM 1375 N LEU A 84 -8.236 -9.081 -8.896 1.00 0.00 N ATOM 1376 CA LEU A 84 -6.822 -8.871 -9.329 1.00 0.00 C ATOM 1377 C LEU A 84 -6.664 -7.403 -9.720 1.00 0.00 C ATOM 1378 O LEU A 84 -7.484 -6.851 -10.427 1.00 0.00 O ATOM 1379 CB LEU A 84 -6.516 -9.738 -10.560 1.00 0.00 C ATOM 1380 CG LEU A 84 -6.765 -11.240 -10.254 1.00 0.00 C ATOM 1381 CD1 LEU A 84 -7.115 -11.976 -11.554 1.00 0.00 C ATOM 1382 CD2 LEU A 84 -5.510 -11.894 -9.628 1.00 0.00 C ATOM 0 H LEU A 84 -8.931 -8.934 -9.627 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.143 -9.141 -8.520 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.142 -9.424 -11.396 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.480 -9.591 -10.865 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.589 -11.312 -9.544 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.290 -13.030 -11.339 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.015 -11.540 -11.988 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.289 -11.881 -12.259 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.711 -12.946 -9.424 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.673 -11.813 -10.322 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.260 -11.385 -8.697 1.00 0.00 H new ATOM 1394 N VAL A 85 -5.619 -6.768 -9.264 1.00 0.00 N ATOM 1395 CA VAL A 85 -5.394 -5.323 -9.596 1.00 0.00 C ATOM 1396 C VAL A 85 -4.183 -5.210 -10.524 1.00 0.00 C ATOM 1397 O VAL A 85 -3.143 -5.772 -10.244 1.00 0.00 O ATOM 1398 CB VAL A 85 -5.104 -4.547 -8.310 1.00 0.00 C ATOM 1399 CG1 VAL A 85 -4.718 -3.109 -8.666 1.00 0.00 C ATOM 1400 CG2 VAL A 85 -6.351 -4.541 -7.414 1.00 0.00 C ATOM 0 H VAL A 85 -4.903 -7.188 -8.671 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.280 -4.915 -10.082 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.284 -5.024 -7.774 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.510 -2.551 -7.753 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.829 -3.116 -9.297 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.539 -2.634 -9.202 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.139 -3.987 -6.499 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -7.177 -4.066 -7.943 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.623 -5.566 -7.163 1.00 0.00 H new ATOM 1410 N THR A 86 -4.296 -4.489 -11.618 1.00 0.00 N ATOM 1411 CA THR A 86 -3.124 -4.352 -12.547 1.00 0.00 C ATOM 1412 C THR A 86 -2.507 -2.962 -12.384 1.00 0.00 C ATOM 1413 O THR A 86 -3.143 -2.042 -11.914 1.00 0.00 O ATOM 1414 CB THR A 86 -3.576 -4.556 -13.989 1.00 0.00 C ATOM 1415 OG1 THR A 86 -4.453 -3.505 -14.368 1.00 0.00 O ATOM 1416 CG2 THR A 86 -4.293 -5.899 -14.115 1.00 0.00 C ATOM 0 H THR A 86 -5.140 -3.994 -11.906 1.00 0.00 H new ATOM 0 HA THR A 86 -2.379 -5.109 -12.303 1.00 0.00 H new ATOM 0 HB THR A 86 -2.706 -4.550 -14.645 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.741 -3.637 -15.295 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.616 -6.044 -15.146 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.613 -6.702 -13.831 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.162 -5.910 -13.458 1.00 0.00 H new ATOM 1424 N LEU A 87 -1.275 -2.804 -12.781 1.00 0.00 N ATOM 1425 CA LEU A 87 -0.611 -1.474 -12.666 1.00 0.00 C ATOM 1426 C LEU A 87 -1.389 -0.470 -13.513 1.00 0.00 C ATOM 1427 O LEU A 87 -1.517 0.690 -13.174 1.00 0.00 O ATOM 1428 CB LEU A 87 0.829 -1.592 -13.207 1.00 0.00 C ATOM 1429 CG LEU A 87 1.531 -0.197 -13.321 1.00 0.00 C ATOM 1430 CD1 LEU A 87 2.359 0.089 -12.065 1.00 0.00 C ATOM 1431 CD2 LEU A 87 2.457 -0.174 -14.547 1.00 0.00 C ATOM 0 H LEU A 87 -0.696 -3.542 -13.182 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.588 -1.145 -11.627 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.411 -2.238 -12.550 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.810 -2.069 -14.187 1.00 0.00 H new ATOM 0 HG LEU A 87 0.761 0.567 -13.426 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.840 1.062 -12.160 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.707 0.091 -11.192 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.120 -0.682 -11.948 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.941 0.800 -14.619 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.216 -0.950 -14.445 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.872 -0.356 -15.448 1.00 0.00 H new ATOM 1443 N GLU A 88 -1.882 -0.908 -14.626 1.00 0.00 N ATOM 1444 CA GLU A 88 -2.620 0.007 -15.533 1.00 0.00 C ATOM 1445 C GLU A 88 -3.799 0.659 -14.808 1.00 0.00 C ATOM 1446 O GLU A 88 -3.816 1.853 -14.576 1.00 0.00 O ATOM 1447 CB GLU A 88 -3.147 -0.799 -16.721 1.00 0.00 C ATOM 1448 CG GLU A 88 -1.967 -1.352 -17.522 1.00 0.00 C ATOM 1449 CD GLU A 88 -2.480 -2.012 -18.802 1.00 0.00 C ATOM 1450 OE1 GLU A 88 -2.995 -3.114 -18.712 1.00 0.00 O ATOM 1451 OE2 GLU A 88 -2.350 -1.404 -19.851 1.00 0.00 O ATOM 0 H GLU A 88 -1.806 -1.871 -14.953 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.943 0.792 -15.870 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.777 -1.616 -16.370 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.768 -0.168 -17.356 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.273 -0.548 -17.768 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.416 -2.077 -16.923 1.00 0.00 H new ATOM 1458 N GLU A 89 -4.798 -0.108 -14.473 1.00 0.00 N ATOM 1459 CA GLU A 89 -5.987 0.478 -13.794 1.00 0.00 C ATOM 1460 C GLU A 89 -5.607 1.051 -12.416 1.00 0.00 C ATOM 1461 O GLU A 89 -6.158 2.042 -11.982 1.00 0.00 O ATOM 1462 CB GLU A 89 -7.066 -0.602 -13.618 1.00 0.00 C ATOM 1463 CG GLU A 89 -7.859 -0.809 -14.908 1.00 0.00 C ATOM 1464 CD GLU A 89 -8.690 0.440 -15.213 1.00 0.00 C ATOM 1465 OE1 GLU A 89 -9.389 0.894 -14.323 1.00 0.00 O ATOM 1466 OE2 GLU A 89 -8.613 0.920 -16.332 1.00 0.00 O ATOM 0 H GLU A 89 -4.843 -1.113 -14.639 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.371 1.289 -14.413 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.599 -1.541 -13.321 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.744 -0.315 -12.814 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.179 -1.015 -15.734 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.512 -1.676 -14.809 1.00 0.00 H new ATOM 1473 N PHE A 90 -4.687 0.440 -11.715 1.00 0.00 N ATOM 1474 CA PHE A 90 -4.316 0.965 -10.371 1.00 0.00 C ATOM 1475 C PHE A 90 -3.833 2.417 -10.514 1.00 0.00 C ATOM 1476 O PHE A 90 -4.290 3.309 -9.821 1.00 0.00 O ATOM 1477 CB PHE A 90 -3.224 0.068 -9.779 1.00 0.00 C ATOM 1478 CG PHE A 90 -2.457 0.798 -8.697 1.00 0.00 C ATOM 1479 CD1 PHE A 90 -2.973 0.877 -7.399 1.00 0.00 C ATOM 1480 CD2 PHE A 90 -1.227 1.397 -9.000 1.00 0.00 C ATOM 1481 CE1 PHE A 90 -2.260 1.558 -6.403 1.00 0.00 C ATOM 1482 CE2 PHE A 90 -0.515 2.075 -8.006 1.00 0.00 C ATOM 1483 CZ PHE A 90 -1.031 2.156 -6.708 1.00 0.00 C ATOM 0 H PHE A 90 -4.181 -0.394 -12.014 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.174 0.957 -9.699 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -3.673 -0.835 -9.366 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -2.540 -0.247 -10.567 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.920 0.414 -7.165 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.829 1.335 -10.002 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.658 1.622 -5.401 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.433 2.536 -8.240 1.00 0.00 H new ATOM 0 HZ PHE A 90 -0.481 2.680 -5.941 1.00 0.00 H new ATOM 1493 N LEU A 91 -2.931 2.665 -11.423 1.00 0.00 N ATOM 1494 CA LEU A 91 -2.446 4.058 -11.624 1.00 0.00 C ATOM 1495 C LEU A 91 -3.653 4.980 -11.806 1.00 0.00 C ATOM 1496 O LEU A 91 -3.733 6.038 -11.215 1.00 0.00 O ATOM 1497 CB LEU A 91 -1.566 4.107 -12.878 1.00 0.00 C ATOM 1498 CG LEU A 91 -0.209 3.431 -12.593 1.00 0.00 C ATOM 1499 CD1 LEU A 91 0.535 3.223 -13.916 1.00 0.00 C ATOM 1500 CD2 LEU A 91 0.651 4.301 -11.646 1.00 0.00 C ATOM 0 H LEU A 91 -2.510 1.965 -12.034 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.864 4.382 -10.761 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.067 3.603 -13.704 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.410 5.142 -13.183 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.389 2.471 -12.109 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.495 2.745 -13.722 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.060 2.588 -14.572 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.700 4.187 -14.396 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.603 3.804 -11.459 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.833 5.271 -12.108 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.124 4.442 -10.702 1.00 0.00 H new ATOM 1512 N ALA A 92 -4.595 4.581 -12.624 1.00 0.00 N ATOM 1513 CA ALA A 92 -5.808 5.422 -12.855 1.00 0.00 C ATOM 1514 C ALA A 92 -6.330 5.971 -11.522 1.00 0.00 C ATOM 1515 O ALA A 92 -6.564 7.155 -11.375 1.00 0.00 O ATOM 1516 CB ALA A 92 -6.896 4.565 -13.510 1.00 0.00 C ATOM 0 H ALA A 92 -4.575 3.704 -13.144 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.547 6.256 -13.506 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.784 5.173 -13.681 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.531 4.179 -14.462 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.148 3.732 -12.853 1.00 0.00 H new ATOM 1522 N SER A 93 -6.524 5.116 -10.555 1.00 0.00 N ATOM 1523 CA SER A 93 -7.043 5.569 -9.234 1.00 0.00 C ATOM 1524 C SER A 93 -6.119 6.627 -8.622 1.00 0.00 C ATOM 1525 O SER A 93 -6.568 7.506 -7.914 1.00 0.00 O ATOM 1526 CB SER A 93 -7.124 4.370 -8.290 1.00 0.00 C ATOM 1527 OG SER A 93 -5.813 3.881 -8.038 1.00 0.00 O ATOM 0 H SER A 93 -6.343 4.115 -10.625 1.00 0.00 H new ATOM 0 HA SER A 93 -8.031 6.007 -9.377 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.602 4.661 -7.355 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.738 3.586 -8.732 1.00 0.00 H new ATOM 0 HG SER A 93 -5.504 3.362 -8.810 1.00 0.00 H new ATOM 1533 N THR A 94 -4.833 6.552 -8.873 1.00 0.00 N ATOM 1534 CA THR A 94 -3.896 7.564 -8.277 1.00 0.00 C ATOM 1535 C THR A 94 -3.666 8.719 -9.260 1.00 0.00 C ATOM 1536 O THR A 94 -4.107 9.828 -9.030 1.00 0.00 O ATOM 1537 CB THR A 94 -2.561 6.899 -7.938 1.00 0.00 C ATOM 1538 OG1 THR A 94 -1.852 6.626 -9.139 1.00 0.00 O ATOM 1539 CG2 THR A 94 -2.815 5.593 -7.185 1.00 0.00 C ATOM 0 H THR A 94 -4.393 5.842 -9.459 1.00 0.00 H new ATOM 0 HA THR A 94 -4.342 7.961 -7.365 1.00 0.00 H new ATOM 0 HB THR A 94 -1.971 7.567 -7.311 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.487 6.391 -9.847 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.863 5.121 -6.944 1.00 0.00 H new ATOM 0 HG22 THR A 94 -3.358 5.804 -6.264 1.00 0.00 H new ATOM 0 HG23 THR A 94 -3.405 4.922 -7.809 1.00 0.00 H new