USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=13 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 120:sc= -0.789 USER MOD Set 1.2: A 80 ASN : amide:sc= -0.172 X(o=-0.96,f=-0.86) USER MOD Set 2.1: A 72 HIS : no HD1:sc= -3.71! C(o=-8.3!,f=-8.1!) USER MOD Set 2.2: A 76 ASN : amide:sc= -4.59! C(o=-8.3!,f=-14!) USER MOD Set 3.1: A 17 ASN :FLIP amide:sc= -1.12 F(o=-2.4!,f=-1.5) USER MOD Set 3.2: A 20 THR OG1 : rot -170:sc= -0.371 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -5.35! C(o=-5.3!,f=-11!) USER MOD Single : A 28 ASN :FLIP amide:sc= -3.25! C(o=-10!,f=-3.2!) USER MOD Single : A 29 SER OG : rot -65:sc= 1.04 USER MOD Single : A 36 GLN :FLIP amide:sc= -0.417 F(o=-2.8!,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 171:sc= -0.0176 (180deg=-0.113) USER MOD Single : A 75 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.486) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.333 F(o=-3!,f=-0.33) USER MOD Single : A 86 THR OG1 : rot 170:sc= -0.467 USER MOD Single : A 93 SER OG : rot 124:sc= 0.435 USER MOD Single : A 94 THR OG1 : rot -40:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 268 N ASN A 17 7.029 8.900 -6.911 1.00 0.00 N ATOM 269 CA ASN A 17 7.448 7.659 -7.620 1.00 0.00 C ATOM 270 C ASN A 17 6.651 6.455 -7.087 1.00 0.00 C ATOM 271 O ASN A 17 7.224 5.564 -6.493 1.00 0.00 O ATOM 272 CB ASN A 17 8.942 7.421 -7.378 1.00 0.00 C ATOM 273 CG ASN A 17 9.402 6.199 -8.174 1.00 0.00 C ATOM 274 OD1 ASN A 17 8.575 5.632 -9.010 1.00 0.00 O flip ATOM 275 ND2 ASN A 17 10.524 5.755 -8.035 1.00 0.00 N flip ATOM 0 HA ASN A 17 7.256 7.773 -8.687 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.514 8.299 -7.678 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.129 7.267 -6.315 1.00 0.00 H new ATOM 0 HD21 ASN A 17 11.170 6.198 -7.382 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.820 4.939 -8.571 1.00 0.00 H new ATOM 282 N PRO A 18 5.351 6.454 -7.309 1.00 0.00 N ATOM 283 CA PRO A 18 4.489 5.351 -6.840 1.00 0.00 C ATOM 284 C PRO A 18 4.863 4.052 -7.575 1.00 0.00 C ATOM 285 O PRO A 18 4.600 2.961 -7.109 1.00 0.00 O ATOM 286 CB PRO A 18 3.047 5.799 -7.183 1.00 0.00 C ATOM 287 CG PRO A 18 3.152 7.123 -7.998 1.00 0.00 C ATOM 288 CD PRO A 18 4.641 7.535 -8.030 1.00 0.00 C ATOM 0 HA PRO A 18 4.598 5.150 -5.774 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.534 5.031 -7.762 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.466 5.953 -6.274 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.772 6.981 -9.010 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.548 7.905 -7.538 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.003 7.631 -9.054 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.795 8.500 -7.546 1.00 0.00 H new ATOM 296 N LYS A 19 5.472 4.171 -8.722 1.00 0.00 N ATOM 297 CA LYS A 19 5.865 2.964 -9.503 1.00 0.00 C ATOM 298 C LYS A 19 6.754 2.035 -8.668 1.00 0.00 C ATOM 299 O LYS A 19 6.685 0.828 -8.794 1.00 0.00 O ATOM 300 CB LYS A 19 6.648 3.407 -10.741 1.00 0.00 C ATOM 301 CG LYS A 19 6.968 2.184 -11.603 1.00 0.00 C ATOM 302 CD LYS A 19 7.458 2.638 -12.978 1.00 0.00 C ATOM 303 CE LYS A 19 7.820 1.413 -13.819 1.00 0.00 C ATOM 304 NZ LYS A 19 8.322 1.853 -15.151 1.00 0.00 N ATOM 0 H LYS A 19 5.717 5.061 -9.156 1.00 0.00 H new ATOM 0 HA LYS A 19 4.961 2.425 -9.787 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.066 4.128 -11.315 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.570 3.907 -10.443 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.730 1.574 -11.118 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.081 1.560 -11.710 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.684 3.220 -13.478 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.326 3.288 -12.870 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.581 0.821 -13.310 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.947 0.772 -13.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.568 1.019 -15.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.583 2.400 -15.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.166 2.447 -15.025 1.00 0.00 H new ATOM 318 N THR A 20 7.609 2.571 -7.838 1.00 0.00 N ATOM 319 CA THR A 20 8.503 1.696 -7.041 1.00 0.00 C ATOM 320 C THR A 20 7.719 0.994 -5.929 1.00 0.00 C ATOM 321 O THR A 20 7.917 -0.175 -5.667 1.00 0.00 O ATOM 322 CB THR A 20 9.624 2.540 -6.435 1.00 0.00 C ATOM 323 OG1 THR A 20 10.415 3.097 -7.475 1.00 0.00 O ATOM 324 CG2 THR A 20 10.491 1.658 -5.548 1.00 0.00 C ATOM 0 H THR A 20 7.723 3.572 -7.681 1.00 0.00 H new ATOM 0 HA THR A 20 8.928 0.934 -7.694 1.00 0.00 H new ATOM 0 HB THR A 20 9.195 3.346 -5.840 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.220 3.504 -7.092 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.292 2.255 -5.113 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.881 1.233 -4.751 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.921 0.853 -6.144 1.00 0.00 H new ATOM 332 N PHE A 21 6.834 1.688 -5.269 1.00 0.00 N ATOM 333 CA PHE A 21 6.057 1.035 -4.177 1.00 0.00 C ATOM 334 C PHE A 21 5.345 -0.195 -4.764 1.00 0.00 C ATOM 335 O PHE A 21 5.187 -1.205 -4.109 1.00 0.00 O ATOM 336 CB PHE A 21 5.047 2.064 -3.584 1.00 0.00 C ATOM 337 CG PHE A 21 3.646 1.486 -3.497 1.00 0.00 C ATOM 338 CD1 PHE A 21 2.808 1.523 -4.618 1.00 0.00 C ATOM 339 CD2 PHE A 21 3.194 0.912 -2.303 1.00 0.00 C ATOM 340 CE1 PHE A 21 1.518 0.987 -4.547 1.00 0.00 C ATOM 341 CE2 PHE A 21 1.902 0.375 -2.231 1.00 0.00 C ATOM 342 CZ PHE A 21 1.064 0.412 -3.353 1.00 0.00 C ATOM 0 H PHE A 21 6.616 2.670 -5.436 1.00 0.00 H new ATOM 0 HA PHE A 21 6.708 0.706 -3.367 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.378 2.368 -2.591 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.034 2.960 -4.204 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.158 1.966 -5.539 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.840 0.883 -1.438 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.872 1.016 -5.412 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.552 -0.068 -1.310 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.068 -0.003 -3.297 1.00 0.00 H new ATOM 352 N PHE A 22 4.917 -0.110 -5.992 1.00 0.00 N ATOM 353 CA PHE A 22 4.219 -1.264 -6.622 1.00 0.00 C ATOM 354 C PHE A 22 5.213 -2.409 -6.856 1.00 0.00 C ATOM 355 O PHE A 22 4.871 -3.570 -6.739 1.00 0.00 O ATOM 356 CB PHE A 22 3.606 -0.822 -7.956 1.00 0.00 C ATOM 357 CG PHE A 22 2.700 -1.911 -8.478 1.00 0.00 C ATOM 358 CD1 PHE A 22 3.219 -2.917 -9.303 1.00 0.00 C ATOM 359 CD2 PHE A 22 1.343 -1.916 -8.138 1.00 0.00 C ATOM 360 CE1 PHE A 22 2.379 -3.928 -9.787 1.00 0.00 C ATOM 361 CE2 PHE A 22 0.503 -2.927 -8.622 1.00 0.00 C ATOM 362 CZ PHE A 22 1.022 -3.932 -9.447 1.00 0.00 C ATOM 0 H PHE A 22 5.021 0.711 -6.588 1.00 0.00 H new ATOM 0 HA PHE A 22 3.427 -1.614 -5.960 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.043 0.101 -7.822 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.394 -0.612 -8.679 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.267 -2.913 -9.566 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.943 -1.140 -7.502 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.779 -4.704 -10.423 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.544 -2.931 -8.359 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.374 -4.711 -9.821 1.00 0.00 H new ATOM 372 N ILE A 23 6.445 -2.102 -7.176 1.00 0.00 N ATOM 373 CA ILE A 23 7.435 -3.180 -7.407 1.00 0.00 C ATOM 374 C ILE A 23 7.754 -3.857 -6.074 1.00 0.00 C ATOM 375 O ILE A 23 7.557 -5.044 -5.906 1.00 0.00 O ATOM 376 CB ILE A 23 8.703 -2.573 -8.005 1.00 0.00 C ATOM 377 CG1 ILE A 23 8.383 -2.008 -9.393 1.00 0.00 C ATOM 378 CG2 ILE A 23 9.769 -3.658 -8.125 1.00 0.00 C ATOM 379 CD1 ILE A 23 9.583 -1.218 -9.923 1.00 0.00 C ATOM 0 H ILE A 23 6.801 -1.152 -7.285 1.00 0.00 H new ATOM 0 HA ILE A 23 7.033 -3.921 -8.098 1.00 0.00 H new ATOM 0 HB ILE A 23 9.071 -1.772 -7.363 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.139 -2.820 -10.078 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.506 -1.362 -9.339 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.677 -3.231 -8.551 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.988 -4.064 -7.137 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.405 -4.456 -8.772 1.00 0.00 H new ATOM 0 HD11 ILE A 23 9.349 -0.819 -10.910 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.806 -0.396 -9.243 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.449 -1.876 -9.994 1.00 0.00 H new ATOM 391 N LEU A 24 8.252 -3.111 -5.127 1.00 0.00 N ATOM 392 CA LEU A 24 8.590 -3.714 -3.802 1.00 0.00 C ATOM 393 C LEU A 24 7.459 -4.651 -3.323 1.00 0.00 C ATOM 394 O LEU A 24 7.722 -5.675 -2.724 1.00 0.00 O ATOM 395 CB LEU A 24 8.799 -2.586 -2.774 1.00 0.00 C ATOM 396 CG LEU A 24 9.698 -3.076 -1.614 1.00 0.00 C ATOM 397 CD1 LEU A 24 11.179 -2.913 -1.986 1.00 0.00 C ATOM 398 CD2 LEU A 24 9.415 -2.255 -0.349 1.00 0.00 C ATOM 0 H LEU A 24 8.440 -2.112 -5.211 1.00 0.00 H new ATOM 0 HA LEU A 24 9.503 -4.301 -3.903 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.257 -1.724 -3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.836 -2.258 -2.383 1.00 0.00 H new ATOM 0 HG LEU A 24 9.480 -4.128 -1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.802 -3.261 -1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.397 -3.500 -2.878 1.00 0.00 H new ATOM 0 HD13 LEU A 24 11.391 -1.862 -2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.052 -2.606 0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.623 -1.203 -0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.369 -2.372 -0.066 1.00 0.00 H new ATOM 410 N HIS A 25 6.210 -4.331 -3.576 1.00 0.00 N ATOM 411 CA HIS A 25 5.110 -5.231 -3.123 1.00 0.00 C ATOM 412 C HIS A 25 4.961 -6.393 -4.108 1.00 0.00 C ATOM 413 O HIS A 25 4.319 -7.383 -3.817 1.00 0.00 O ATOM 414 CB HIS A 25 3.797 -4.448 -3.058 1.00 0.00 C ATOM 415 CG HIS A 25 3.959 -3.268 -2.142 1.00 0.00 C ATOM 416 ND1 HIS A 25 5.205 -2.792 -1.762 1.00 0.00 N ATOM 417 CD2 HIS A 25 3.043 -2.457 -1.520 1.00 0.00 C ATOM 418 CE1 HIS A 25 5.005 -1.740 -0.947 1.00 0.00 C ATOM 419 NE2 HIS A 25 3.705 -1.493 -0.766 1.00 0.00 N ATOM 0 H HIS A 25 5.911 -3.492 -4.073 1.00 0.00 H new ATOM 0 HA HIS A 25 5.349 -5.620 -2.133 1.00 0.00 H new ATOM 0 HB2 HIS A 25 3.513 -4.111 -4.055 1.00 0.00 H new ATOM 0 HB3 HIS A 25 2.995 -5.093 -2.699 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.970 -2.553 -1.603 1.00 0.00 H new ATOM 0 HE1 HIS A 25 5.799 -1.165 -0.494 1.00 0.00 H new ATOM 0 HE2 HIS A 25 3.287 -0.756 -0.197 1.00 0.00 H new ATOM 427 N ASP A 26 5.554 -6.288 -5.268 1.00 0.00 N ATOM 428 CA ASP A 26 5.445 -7.399 -6.258 1.00 0.00 C ATOM 429 C ASP A 26 6.409 -8.524 -5.863 1.00 0.00 C ATOM 430 O ASP A 26 7.575 -8.511 -6.209 1.00 0.00 O ATOM 431 CB ASP A 26 5.801 -6.881 -7.649 1.00 0.00 C ATOM 432 CG ASP A 26 4.792 -5.812 -8.071 1.00 0.00 C ATOM 433 OD1 ASP A 26 3.721 -5.773 -7.488 1.00 0.00 O ATOM 434 OD2 ASP A 26 5.106 -5.050 -8.970 1.00 0.00 O ATOM 0 H ASP A 26 6.106 -5.486 -5.571 1.00 0.00 H new ATOM 0 HA ASP A 26 4.424 -7.781 -6.269 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.808 -6.464 -7.646 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.798 -7.702 -8.366 1.00 0.00 H new ATOM 439 N ILE A 27 5.931 -9.484 -5.123 1.00 0.00 N ATOM 440 CA ILE A 27 6.791 -10.607 -4.668 1.00 0.00 C ATOM 441 C ILE A 27 7.017 -11.612 -5.807 1.00 0.00 C ATOM 442 O ILE A 27 8.138 -11.976 -6.105 1.00 0.00 O ATOM 443 CB ILE A 27 6.077 -11.283 -3.498 1.00 0.00 C ATOM 444 CG1 ILE A 27 5.817 -10.250 -2.397 1.00 0.00 C ATOM 445 CG2 ILE A 27 6.924 -12.411 -2.927 1.00 0.00 C ATOM 446 CD1 ILE A 27 4.925 -10.865 -1.316 1.00 0.00 C ATOM 0 H ILE A 27 4.962 -9.537 -4.809 1.00 0.00 H new ATOM 0 HA ILE A 27 7.769 -10.236 -4.361 1.00 0.00 H new ATOM 0 HB ILE A 27 5.136 -11.697 -3.860 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.761 -9.923 -1.961 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.338 -9.367 -2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.396 -12.878 -2.095 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.110 -13.155 -3.702 1.00 0.00 H new ATOM 0 HG23 ILE A 27 7.874 -12.010 -2.574 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.741 -10.129 -0.534 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.976 -11.170 -1.757 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.422 -11.735 -0.886 1.00 0.00 H new ATOM 458 N ASN A 28 5.971 -12.075 -6.438 1.00 0.00 N ATOM 459 CA ASN A 28 6.140 -13.068 -7.548 1.00 0.00 C ATOM 460 C ASN A 28 6.340 -12.344 -8.879 1.00 0.00 C ATOM 461 O ASN A 28 6.567 -12.958 -9.902 1.00 0.00 O ATOM 462 CB ASN A 28 4.899 -13.950 -7.631 1.00 0.00 C ATOM 463 CG ASN A 28 3.645 -13.075 -7.539 1.00 0.00 C ATOM 464 OD1 ASN A 28 3.762 -11.773 -7.555 1.00 0.00 O flip ATOM 465 ND2 ASN A 28 2.544 -13.583 -7.451 1.00 0.00 N flip ATOM 0 H ASN A 28 5.007 -11.811 -6.236 1.00 0.00 H new ATOM 0 HA ASN A 28 7.017 -13.683 -7.344 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.898 -14.508 -8.567 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.905 -14.682 -6.823 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.450 -14.599 -7.438 1.00 0.00 H new ATOM 0 HD22 ASN A 28 1.714 -12.994 -7.390 1.00 0.00 H new ATOM 472 N SER A 29 6.274 -11.051 -8.872 1.00 0.00 N ATOM 473 CA SER A 29 6.480 -10.285 -10.134 1.00 0.00 C ATOM 474 C SER A 29 5.554 -10.808 -11.232 1.00 0.00 C ATOM 475 O SER A 29 5.992 -11.209 -12.293 1.00 0.00 O ATOM 476 CB SER A 29 7.934 -10.420 -10.576 1.00 0.00 C ATOM 477 OG SER A 29 8.042 -10.110 -11.959 1.00 0.00 O ATOM 0 H SER A 29 6.086 -10.483 -8.046 1.00 0.00 H new ATOM 0 HA SER A 29 6.248 -9.235 -9.955 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.566 -9.750 -9.992 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.288 -11.434 -10.391 1.00 0.00 H new ATOM 0 HG SER A 29 7.555 -10.780 -12.483 1.00 0.00 H new ATOM 483 N ASP A 30 4.268 -10.790 -10.995 1.00 0.00 N ATOM 484 CA ASP A 30 3.296 -11.263 -12.028 1.00 0.00 C ATOM 485 C ASP A 30 2.717 -10.039 -12.735 1.00 0.00 C ATOM 486 O ASP A 30 1.802 -10.131 -13.528 1.00 0.00 O ATOM 487 CB ASP A 30 2.167 -12.040 -11.346 1.00 0.00 C ATOM 488 CG ASP A 30 2.743 -13.279 -10.657 1.00 0.00 C ATOM 489 OD1 ASP A 30 3.848 -13.665 -11.002 1.00 0.00 O ATOM 490 OD2 ASP A 30 2.070 -13.819 -9.796 1.00 0.00 O ATOM 0 H ASP A 30 3.846 -10.466 -10.125 1.00 0.00 H new ATOM 0 HA ASP A 30 3.794 -11.914 -12.747 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.664 -11.406 -10.616 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.418 -12.335 -12.081 1.00 0.00 H new ATOM 495 N GLY A 31 3.252 -8.886 -12.437 1.00 0.00 N ATOM 496 CA GLY A 31 2.754 -7.629 -13.063 1.00 0.00 C ATOM 497 C GLY A 31 1.391 -7.259 -12.474 1.00 0.00 C ATOM 498 O GLY A 31 0.775 -6.295 -12.886 1.00 0.00 O ATOM 0 H GLY A 31 4.021 -8.761 -11.779 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.465 -6.821 -12.892 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.671 -7.758 -14.142 1.00 0.00 H new ATOM 502 N VAL A 32 0.932 -7.986 -11.482 1.00 0.00 N ATOM 503 CA VAL A 32 -0.373 -7.635 -10.834 1.00 0.00 C ATOM 504 C VAL A 32 -0.270 -7.937 -9.333 1.00 0.00 C ATOM 505 O VAL A 32 0.615 -8.648 -8.899 1.00 0.00 O ATOM 506 CB VAL A 32 -1.538 -8.428 -11.486 1.00 0.00 C ATOM 507 CG1 VAL A 32 -1.211 -8.696 -12.956 1.00 0.00 C ATOM 508 CG2 VAL A 32 -1.786 -9.768 -10.765 1.00 0.00 C ATOM 0 H VAL A 32 1.402 -8.804 -11.094 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.584 -6.575 -10.976 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.443 -7.827 -11.403 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.028 -9.253 -13.415 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.079 -7.748 -13.478 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.292 -9.278 -13.024 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.608 -10.295 -11.249 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.885 -10.379 -10.813 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.041 -9.578 -9.722 1.00 0.00 H new ATOM 518 N LEU A 33 -1.179 -7.426 -8.551 1.00 0.00 N ATOM 519 CA LEU A 33 -1.163 -7.704 -7.065 1.00 0.00 C ATOM 520 C LEU A 33 -2.398 -8.553 -6.740 1.00 0.00 C ATOM 521 O LEU A 33 -3.503 -8.228 -7.124 1.00 0.00 O ATOM 522 CB LEU A 33 -1.165 -6.373 -6.247 1.00 0.00 C ATOM 523 CG LEU A 33 -0.170 -6.461 -5.070 1.00 0.00 C ATOM 524 CD1 LEU A 33 1.271 -6.267 -5.572 1.00 0.00 C ATOM 525 CD2 LEU A 33 -0.487 -5.360 -4.054 1.00 0.00 C ATOM 0 H LEU A 33 -1.940 -6.824 -8.867 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.255 -8.240 -6.790 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.897 -5.540 -6.896 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.168 -6.173 -5.869 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.263 -7.443 -4.607 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.961 -6.332 -4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.511 -7.043 -6.299 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.364 -5.288 -6.043 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.214 -5.420 -3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.398 -4.385 -4.534 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.503 -5.490 -3.682 1.00 0.00 H new ATOM 537 N ASP A 34 -2.207 -9.662 -6.056 1.00 0.00 N ATOM 538 CA ASP A 34 -3.363 -10.567 -5.728 1.00 0.00 C ATOM 539 C ASP A 34 -3.755 -10.428 -4.254 1.00 0.00 C ATOM 540 O ASP A 34 -3.018 -9.908 -3.440 1.00 0.00 O ATOM 541 CB ASP A 34 -2.990 -12.030 -6.032 1.00 0.00 C ATOM 542 CG ASP A 34 -1.945 -12.516 -5.025 1.00 0.00 C ATOM 543 OD1 ASP A 34 -1.453 -11.695 -4.268 1.00 0.00 O ATOM 544 OD2 ASP A 34 -1.655 -13.701 -5.027 1.00 0.00 O ATOM 0 H ASP A 34 -1.301 -9.979 -5.711 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.214 -10.277 -6.345 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.878 -12.660 -5.982 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -2.598 -12.112 -7.046 1.00 0.00 H new ATOM 549 N GLU A 35 -4.932 -10.884 -3.926 1.00 0.00 N ATOM 550 CA GLU A 35 -5.435 -10.790 -2.522 1.00 0.00 C ATOM 551 C GLU A 35 -4.484 -11.493 -1.548 1.00 0.00 C ATOM 552 O GLU A 35 -4.636 -11.390 -0.348 1.00 0.00 O ATOM 553 CB GLU A 35 -6.805 -11.460 -2.441 1.00 0.00 C ATOM 554 CG GLU A 35 -7.762 -10.834 -3.469 1.00 0.00 C ATOM 555 CD GLU A 35 -7.542 -11.472 -4.845 1.00 0.00 C ATOM 556 OE1 GLU A 35 -6.696 -10.984 -5.575 1.00 0.00 O ATOM 557 OE2 GLU A 35 -8.224 -12.440 -5.142 1.00 0.00 O ATOM 0 H GLU A 35 -5.578 -11.325 -4.580 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.501 -9.737 -2.247 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.707 -12.529 -2.628 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.214 -11.348 -1.437 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.795 -10.979 -3.152 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.594 -9.758 -3.527 1.00 0.00 H new ATOM 564 N GLN A 36 -3.513 -12.204 -2.036 1.00 0.00 N ATOM 565 CA GLN A 36 -2.568 -12.906 -1.119 1.00 0.00 C ATOM 566 C GLN A 36 -1.455 -11.947 -0.700 1.00 0.00 C ATOM 567 O GLN A 36 -0.997 -11.966 0.426 1.00 0.00 O ATOM 568 CB GLN A 36 -1.959 -14.112 -1.835 1.00 0.00 C ATOM 569 CG GLN A 36 -3.079 -15.034 -2.324 1.00 0.00 C ATOM 570 CD GLN A 36 -3.687 -15.783 -1.132 1.00 0.00 C ATOM 571 OE1 GLN A 36 -3.206 -15.590 0.069 1.00 0.00 O flip ATOM 572 NE2 GLN A 36 -4.611 -16.555 -1.295 1.00 0.00 N flip ATOM 0 H GLN A 36 -3.329 -12.333 -3.031 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.108 -13.244 -0.235 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.353 -13.780 -2.678 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.297 -14.653 -1.159 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.848 -14.451 -2.831 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.687 -15.745 -3.051 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.989 -16.708 -2.230 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.009 -17.050 -0.497 1.00 0.00 H new ATOM 581 N GLU A 37 -1.024 -11.101 -1.591 1.00 0.00 N ATOM 582 CA GLU A 37 0.049 -10.132 -1.241 1.00 0.00 C ATOM 583 C GLU A 37 -0.601 -8.956 -0.499 1.00 0.00 C ATOM 584 O GLU A 37 -0.033 -8.389 0.407 1.00 0.00 O ATOM 585 CB GLU A 37 0.755 -9.667 -2.543 1.00 0.00 C ATOM 586 CG GLU A 37 1.318 -8.254 -2.390 1.00 0.00 C ATOM 587 CD GLU A 37 2.120 -8.153 -1.090 1.00 0.00 C ATOM 588 OE1 GLU A 37 2.634 -9.170 -0.656 1.00 0.00 O ATOM 589 OE2 GLU A 37 2.204 -7.062 -0.552 1.00 0.00 O ATOM 0 H GLU A 37 -1.369 -11.039 -2.549 1.00 0.00 H new ATOM 0 HA GLU A 37 0.802 -10.584 -0.596 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.561 -10.358 -2.790 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.048 -9.692 -3.372 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.955 -8.013 -3.241 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.505 -7.528 -2.384 1.00 0.00 H new ATOM 596 N LEU A 38 -1.799 -8.607 -0.880 1.00 0.00 N ATOM 597 CA LEU A 38 -2.526 -7.484 -0.218 1.00 0.00 C ATOM 598 C LEU A 38 -2.995 -7.913 1.182 1.00 0.00 C ATOM 599 O LEU A 38 -2.879 -7.164 2.139 1.00 0.00 O ATOM 600 CB LEU A 38 -3.745 -7.114 -1.096 1.00 0.00 C ATOM 601 CG LEU A 38 -4.467 -5.841 -0.563 1.00 0.00 C ATOM 602 CD1 LEU A 38 -3.901 -4.572 -1.229 1.00 0.00 C ATOM 603 CD2 LEU A 38 -5.973 -5.914 -0.882 1.00 0.00 C ATOM 0 H LEU A 38 -2.314 -9.060 -1.635 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.867 -6.623 -0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.418 -6.945 -2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.446 -7.949 -1.118 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.306 -5.796 0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.420 -3.695 -0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.836 -4.490 -1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.045 -4.632 -2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.469 -5.019 -0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.114 -5.980 -1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.403 -6.795 -0.406 1.00 0.00 H new ATOM 615 N GLU A 39 -3.500 -9.110 1.332 1.00 0.00 N ATOM 616 CA GLU A 39 -3.946 -9.546 2.681 1.00 0.00 C ATOM 617 C GLU A 39 -2.717 -9.790 3.553 1.00 0.00 C ATOM 618 O GLU A 39 -2.734 -9.557 4.745 1.00 0.00 O ATOM 619 CB GLU A 39 -4.764 -10.834 2.569 1.00 0.00 C ATOM 620 CG GLU A 39 -6.122 -10.519 1.937 1.00 0.00 C ATOM 621 CD GLU A 39 -6.881 -11.821 1.679 1.00 0.00 C ATOM 622 OE1 GLU A 39 -6.241 -12.796 1.322 1.00 0.00 O ATOM 623 OE2 GLU A 39 -8.091 -11.820 1.843 1.00 0.00 O ATOM 0 H GLU A 39 -3.621 -9.795 0.586 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.569 -8.772 3.129 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.230 -11.566 1.964 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.903 -11.277 3.555 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.701 -9.873 2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.982 -9.976 1.002 1.00 0.00 H new ATOM 630 N ALA A 40 -1.648 -10.259 2.970 1.00 0.00 N ATOM 631 CA ALA A 40 -0.426 -10.516 3.777 1.00 0.00 C ATOM 632 C ALA A 40 0.245 -9.193 4.161 1.00 0.00 C ATOM 633 O ALA A 40 0.913 -9.101 5.172 1.00 0.00 O ATOM 634 CB ALA A 40 0.566 -11.358 2.987 1.00 0.00 C ATOM 0 H ALA A 40 -1.569 -10.474 1.976 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.723 -11.053 4.678 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.455 -11.537 3.592 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.107 -12.312 2.726 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.848 -10.829 2.076 1.00 0.00 H new ATOM 640 N LEU A 41 0.093 -8.168 3.359 1.00 0.00 N ATOM 641 CA LEU A 41 0.751 -6.870 3.695 1.00 0.00 C ATOM 642 C LEU A 41 0.056 -6.231 4.907 1.00 0.00 C ATOM 643 O LEU A 41 0.680 -5.535 5.682 1.00 0.00 O ATOM 644 CB LEU A 41 0.704 -5.916 2.469 1.00 0.00 C ATOM 645 CG LEU A 41 2.036 -5.170 2.315 1.00 0.00 C ATOM 646 CD1 LEU A 41 1.994 -4.309 1.051 1.00 0.00 C ATOM 647 CD2 LEU A 41 2.262 -4.273 3.534 1.00 0.00 C ATOM 0 H LEU A 41 -0.452 -8.174 2.497 1.00 0.00 H new ATOM 0 HA LEU A 41 1.795 -7.052 3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.494 -6.487 1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.109 -5.200 2.590 1.00 0.00 H new ATOM 0 HG LEU A 41 2.850 -5.891 2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.940 -3.778 0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.832 -4.946 0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.180 -3.588 1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.208 -3.743 3.425 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.448 -3.552 3.611 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.291 -4.885 4.436 1.00 0.00 H new ATOM 659 N PHE A 42 -1.228 -6.444 5.087 1.00 0.00 N ATOM 660 CA PHE A 42 -1.903 -5.810 6.267 1.00 0.00 C ATOM 661 C PHE A 42 -1.574 -6.601 7.542 1.00 0.00 C ATOM 662 O PHE A 42 -1.221 -6.031 8.554 1.00 0.00 O ATOM 663 CB PHE A 42 -3.443 -5.732 6.066 1.00 0.00 C ATOM 664 CG PHE A 42 -3.817 -4.387 5.449 1.00 0.00 C ATOM 665 CD1 PHE A 42 -3.488 -3.193 6.118 1.00 0.00 C ATOM 666 CD2 PHE A 42 -4.468 -4.327 4.206 1.00 0.00 C ATOM 667 CE1 PHE A 42 -3.802 -1.959 5.546 1.00 0.00 C ATOM 668 CE2 PHE A 42 -4.786 -3.085 3.644 1.00 0.00 C ATOM 669 CZ PHE A 42 -4.449 -1.904 4.311 1.00 0.00 C ATOM 0 H PHE A 42 -1.824 -7.013 4.486 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.529 -4.791 6.366 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -3.776 -6.544 5.420 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.951 -5.857 7.022 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.991 -3.232 7.076 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.723 -5.238 3.685 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.544 -1.045 6.060 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.293 -3.039 2.692 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.690 -0.948 3.870 1.00 0.00 H new ATOM 679 N THR A 43 -1.701 -7.895 7.510 1.00 0.00 N ATOM 680 CA THR A 43 -1.419 -8.702 8.733 1.00 0.00 C ATOM 681 C THR A 43 0.011 -8.465 9.241 1.00 0.00 C ATOM 682 O THR A 43 0.237 -8.341 10.429 1.00 0.00 O ATOM 683 CB THR A 43 -1.595 -10.188 8.405 1.00 0.00 C ATOM 684 OG1 THR A 43 -2.957 -10.442 8.091 1.00 0.00 O ATOM 685 CG2 THR A 43 -1.181 -11.037 9.610 1.00 0.00 C ATOM 0 H THR A 43 -1.988 -8.432 6.692 1.00 0.00 H new ATOM 0 HA THR A 43 -2.116 -8.397 9.514 1.00 0.00 H new ATOM 0 HB THR A 43 -0.968 -10.447 7.552 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.072 -11.392 7.879 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.308 -12.093 9.372 1.00 0.00 H new ATOM 0 HG22 THR A 43 -0.136 -10.842 9.850 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.804 -10.781 10.467 1.00 0.00 H new ATOM 1057 N ARG A 66 -8.567 -4.089 10.560 1.00 0.00 N ATOM 1058 CA ARG A 66 -8.287 -5.008 9.420 1.00 0.00 C ATOM 1059 C ARG A 66 -9.395 -4.877 8.363 1.00 0.00 C ATOM 1060 O ARG A 66 -9.138 -4.935 7.177 1.00 0.00 O ATOM 1061 CB ARG A 66 -8.223 -6.465 9.946 1.00 0.00 C ATOM 1062 CG ARG A 66 -6.764 -6.896 10.168 1.00 0.00 C ATOM 1063 CD ARG A 66 -6.730 -8.344 10.657 1.00 0.00 C ATOM 1064 NE ARG A 66 -5.317 -8.766 10.866 1.00 0.00 N ATOM 1065 CZ ARG A 66 -5.051 -9.839 11.561 1.00 0.00 C ATOM 1066 NH1 ARG A 66 -6.025 -10.539 12.077 1.00 0.00 N ATOM 1067 NH2 ARG A 66 -3.814 -10.210 11.741 1.00 0.00 N ATOM 0 HA ARG A 66 -7.333 -4.746 8.962 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.778 -6.545 10.881 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.702 -7.136 9.233 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.200 -6.801 9.240 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.288 -6.243 10.899 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.290 -8.438 11.588 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.211 -8.996 9.928 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.557 -8.216 10.466 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.992 -10.247 11.937 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.818 -11.377 12.620 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.054 -9.662 11.339 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.607 -11.048 12.284 1.00 0.00 H new ATOM 1081 N LEU A 67 -10.624 -4.722 8.779 1.00 0.00 N ATOM 1082 CA LEU A 67 -11.738 -4.614 7.792 1.00 0.00 C ATOM 1083 C LEU A 67 -11.839 -3.164 7.273 1.00 0.00 C ATOM 1084 O LEU A 67 -12.202 -2.929 6.139 1.00 0.00 O ATOM 1085 CB LEU A 67 -13.051 -5.095 8.485 1.00 0.00 C ATOM 1086 CG LEU A 67 -14.161 -4.024 8.481 1.00 0.00 C ATOM 1087 CD1 LEU A 67 -14.627 -3.722 7.031 1.00 0.00 C ATOM 1088 CD2 LEU A 67 -15.339 -4.541 9.321 1.00 0.00 C ATOM 0 H LEU A 67 -10.904 -4.666 9.758 1.00 0.00 H new ATOM 0 HA LEU A 67 -11.557 -5.246 6.922 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.415 -5.990 7.980 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -12.830 -5.377 9.514 1.00 0.00 H new ATOM 0 HG LEU A 67 -13.776 -3.097 8.907 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.410 -2.964 7.051 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -13.783 -3.356 6.446 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -15.016 -4.633 6.576 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -16.134 -3.796 9.330 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.715 -5.468 8.889 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -15.004 -4.726 10.342 1.00 0.00 H new ATOM 1100 N ARG A 68 -11.534 -2.198 8.098 1.00 0.00 N ATOM 1101 CA ARG A 68 -11.635 -0.776 7.650 1.00 0.00 C ATOM 1102 C ARG A 68 -10.640 -0.512 6.514 1.00 0.00 C ATOM 1103 O ARG A 68 -10.940 0.193 5.571 1.00 0.00 O ATOM 1104 CB ARG A 68 -11.335 0.155 8.836 1.00 0.00 C ATOM 1105 CG ARG A 68 -11.307 1.625 8.384 1.00 0.00 C ATOM 1106 CD ARG A 68 -12.618 2.006 7.676 1.00 0.00 C ATOM 1107 NE ARG A 68 -13.765 1.273 8.286 1.00 0.00 N ATOM 1108 CZ ARG A 68 -14.986 1.674 8.062 1.00 0.00 C ATOM 1109 NH1 ARG A 68 -15.203 2.717 7.307 1.00 0.00 N ATOM 1110 NH2 ARG A 68 -15.991 1.033 8.595 1.00 0.00 N ATOM 0 H ARG A 68 -11.220 -2.330 9.060 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.644 -0.584 7.285 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -12.092 0.022 9.609 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.376 -0.112 9.280 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -11.154 2.272 9.247 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -10.465 1.787 7.711 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -12.782 3.081 7.752 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -12.549 1.769 6.614 1.00 0.00 H new ATOM 0 HE ARG A 68 -13.595 0.460 8.877 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -14.418 3.219 6.892 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -16.158 3.030 7.132 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -15.821 0.219 9.186 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -16.946 1.346 8.420 1.00 0.00 H new ATOM 1124 N MET A 69 -9.463 -1.072 6.589 1.00 0.00 N ATOM 1125 CA MET A 69 -8.459 -0.849 5.506 1.00 0.00 C ATOM 1126 C MET A 69 -8.726 -1.831 4.358 1.00 0.00 C ATOM 1127 O MET A 69 -8.840 -1.437 3.214 1.00 0.00 O ATOM 1128 CB MET A 69 -7.035 -1.038 6.057 1.00 0.00 C ATOM 1129 CG MET A 69 -6.931 -0.488 7.494 1.00 0.00 C ATOM 1130 SD MET A 69 -5.245 0.097 7.798 1.00 0.00 S ATOM 1131 CE MET A 69 -5.376 0.245 9.596 1.00 0.00 C ATOM 0 H MET A 69 -9.152 -1.674 7.352 1.00 0.00 H new ATOM 0 HA MET A 69 -8.548 0.171 5.132 1.00 0.00 H new ATOM 0 HB2 MET A 69 -6.773 -2.096 6.047 1.00 0.00 H new ATOM 0 HB3 MET A 69 -6.319 -0.526 5.413 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.641 0.327 7.635 1.00 0.00 H new ATOM 0 HG3 MET A 69 -7.192 -1.266 8.212 1.00 0.00 H new ATOM 0 HE1 MET A 69 -4.428 0.599 10.002 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.165 0.954 9.846 1.00 0.00 H new ATOM 0 HE3 MET A 69 -5.614 -0.729 10.025 1.00 0.00 H new ATOM 1141 N ARG A 70 -8.845 -3.094 4.643 1.00 0.00 N ATOM 1142 CA ARG A 70 -9.123 -4.076 3.557 1.00 0.00 C ATOM 1143 C ARG A 70 -10.327 -3.605 2.725 1.00 0.00 C ATOM 1144 O ARG A 70 -10.341 -3.736 1.518 1.00 0.00 O ATOM 1145 CB ARG A 70 -9.432 -5.442 4.196 1.00 0.00 C ATOM 1146 CG ARG A 70 -10.080 -6.388 3.174 1.00 0.00 C ATOM 1147 CD ARG A 70 -10.155 -7.799 3.764 1.00 0.00 C ATOM 1148 NE ARG A 70 -11.025 -7.784 4.972 1.00 0.00 N ATOM 1149 CZ ARG A 70 -11.482 -8.903 5.461 1.00 0.00 C ATOM 1150 NH1 ARG A 70 -11.177 -10.037 4.891 1.00 0.00 N ATOM 1151 NH2 ARG A 70 -12.245 -8.889 6.520 1.00 0.00 N ATOM 0 H ARG A 70 -8.762 -3.491 5.579 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.256 -4.161 2.902 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.513 -5.886 4.578 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.099 -5.308 5.048 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -11.079 -6.035 2.918 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.499 -6.398 2.252 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.553 -8.494 3.024 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.157 -8.149 4.026 1.00 0.00 H new ATOM 0 HE ARG A 70 -11.264 -6.898 5.417 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -10.581 -10.048 4.063 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -11.534 -10.912 5.273 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.484 -8.003 6.965 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.603 -9.764 6.903 1.00 0.00 H new ATOM 1165 N GLU A 71 -11.348 -3.090 3.354 1.00 0.00 N ATOM 1166 CA GLU A 71 -12.546 -2.658 2.594 1.00 0.00 C ATOM 1167 C GLU A 71 -12.284 -1.342 1.847 1.00 0.00 C ATOM 1168 O GLU A 71 -12.513 -1.242 0.659 1.00 0.00 O ATOM 1169 CB GLU A 71 -13.694 -2.469 3.579 1.00 0.00 C ATOM 1170 CG GLU A 71 -15.002 -2.354 2.814 1.00 0.00 C ATOM 1171 CD GLU A 71 -15.394 -3.724 2.258 1.00 0.00 C ATOM 1172 OE1 GLU A 71 -15.653 -4.612 3.054 1.00 0.00 O ATOM 1173 OE2 GLU A 71 -15.429 -3.862 1.047 1.00 0.00 O ATOM 0 H GLU A 71 -11.400 -2.951 4.363 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.794 -3.418 1.853 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.737 -3.311 4.270 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.530 -1.573 4.178 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -15.787 -1.979 3.470 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.897 -1.637 2.000 1.00 0.00 H new ATOM 1180 N HIS A 72 -11.817 -0.330 2.528 1.00 0.00 N ATOM 1181 CA HIS A 72 -11.557 0.972 1.840 1.00 0.00 C ATOM 1182 C HIS A 72 -10.603 0.761 0.658 1.00 0.00 C ATOM 1183 O HIS A 72 -10.741 1.392 -0.371 1.00 0.00 O ATOM 1184 CB HIS A 72 -10.943 1.971 2.828 1.00 0.00 C ATOM 1185 CG HIS A 72 -11.066 3.369 2.280 1.00 0.00 C ATOM 1186 ND1 HIS A 72 -12.203 4.139 2.464 1.00 0.00 N ATOM 1187 CD2 HIS A 72 -10.201 4.146 1.551 1.00 0.00 C ATOM 1188 CE1 HIS A 72 -11.994 5.321 1.857 1.00 0.00 C ATOM 1189 NE2 HIS A 72 -10.789 5.378 1.285 1.00 0.00 N ATOM 0 H HIS A 72 -11.605 -0.346 3.526 1.00 0.00 H new ATOM 0 HA HIS A 72 -12.502 1.369 1.469 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -11.449 1.902 3.791 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.894 1.729 3.000 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -9.214 3.846 1.232 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -12.714 6.126 1.835 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -10.386 6.157 0.765 1.00 0.00 H new ATOM 1197 N VAL A 73 -9.639 -0.109 0.781 1.00 0.00 N ATOM 1198 CA VAL A 73 -8.701 -0.322 -0.361 1.00 0.00 C ATOM 1199 C VAL A 73 -9.390 -1.148 -1.451 1.00 0.00 C ATOM 1200 O VAL A 73 -9.464 -0.745 -2.595 1.00 0.00 O ATOM 1201 CB VAL A 73 -7.454 -1.068 0.126 1.00 0.00 C ATOM 1202 CG1 VAL A 73 -6.584 -1.446 -1.078 1.00 0.00 C ATOM 1203 CG2 VAL A 73 -6.657 -0.165 1.077 1.00 0.00 C ATOM 0 H VAL A 73 -9.460 -0.676 1.610 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.411 0.647 -0.768 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.753 -1.973 0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.697 -1.977 -0.733 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.153 -2.088 -1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.283 -0.542 -1.608 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.770 -0.695 1.424 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.356 0.741 0.551 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.278 0.101 1.932 1.00 0.00 H new ATOM 1213 N MET A 74 -9.892 -2.300 -1.105 1.00 0.00 N ATOM 1214 CA MET A 74 -10.572 -3.152 -2.120 1.00 0.00 C ATOM 1215 C MET A 74 -11.800 -2.426 -2.670 1.00 0.00 C ATOM 1216 O MET A 74 -12.313 -2.776 -3.710 1.00 0.00 O ATOM 1217 CB MET A 74 -11.000 -4.482 -1.489 1.00 0.00 C ATOM 1218 CG MET A 74 -9.770 -5.358 -1.213 1.00 0.00 C ATOM 1219 SD MET A 74 -10.288 -7.083 -1.031 1.00 0.00 S ATOM 1220 CE MET A 74 -10.124 -7.557 -2.771 1.00 0.00 C ATOM 0 H MET A 74 -9.861 -2.689 -0.163 1.00 0.00 H new ATOM 0 HA MET A 74 -9.876 -3.351 -2.935 1.00 0.00 H new ATOM 0 HB2 MET A 74 -11.538 -4.295 -0.560 1.00 0.00 H new ATOM 0 HB3 MET A 74 -11.686 -5.005 -2.155 1.00 0.00 H new ATOM 0 HG2 MET A 74 -9.054 -5.266 -2.030 1.00 0.00 H new ATOM 0 HG3 MET A 74 -9.266 -5.021 -0.307 1.00 0.00 H new ATOM 0 HE1 MET A 74 -10.243 -8.636 -2.867 1.00 0.00 H new ATOM 0 HE2 MET A 74 -10.891 -7.054 -3.359 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.139 -7.267 -3.136 1.00 0.00 H new ATOM 1230 N LYS A 75 -12.288 -1.426 -1.992 1.00 0.00 N ATOM 1231 CA LYS A 75 -13.489 -0.695 -2.501 1.00 0.00 C ATOM 1232 C LYS A 75 -13.050 0.527 -3.318 1.00 0.00 C ATOM 1233 O LYS A 75 -13.675 0.878 -4.298 1.00 0.00 O ATOM 1234 CB LYS A 75 -14.336 -0.236 -1.307 1.00 0.00 C ATOM 1235 CG LYS A 75 -15.503 0.648 -1.780 1.00 0.00 C ATOM 1236 CD LYS A 75 -16.360 1.065 -0.571 1.00 0.00 C ATOM 1237 CE LYS A 75 -17.085 2.372 -0.876 1.00 0.00 C ATOM 1238 NZ LYS A 75 -17.756 2.274 -2.203 1.00 0.00 N ATOM 0 H LYS A 75 -11.911 -1.081 -1.109 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.074 -1.356 -3.140 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.723 -1.104 -0.774 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.714 0.319 -0.604 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -15.119 1.532 -2.289 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -16.114 0.105 -2.501 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -17.083 0.283 -0.340 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.729 1.186 0.309 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -17.821 2.581 -0.100 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -16.377 3.201 -0.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -18.517 2.981 -2.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -17.062 2.451 -2.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -18.159 1.322 -2.319 1.00 0.00 H new ATOM 1252 N ASN A 76 -12.004 1.200 -2.904 1.00 0.00 N ATOM 1253 CA ASN A 76 -11.556 2.427 -3.641 1.00 0.00 C ATOM 1254 C ASN A 76 -10.396 2.129 -4.608 1.00 0.00 C ATOM 1255 O ASN A 76 -10.072 2.964 -5.427 1.00 0.00 O ATOM 1256 CB ASN A 76 -11.134 3.502 -2.629 1.00 0.00 C ATOM 1257 CG ASN A 76 -12.254 3.710 -1.608 1.00 0.00 C ATOM 1258 OD1 ASN A 76 -11.996 3.875 -0.432 1.00 0.00 O ATOM 1259 ND2 ASN A 76 -13.497 3.708 -2.008 1.00 0.00 N ATOM 0 H ASN A 76 -11.441 0.955 -2.090 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.393 2.785 -4.240 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.217 3.200 -2.122 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.919 4.438 -3.145 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -14.250 3.845 -1.334 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -13.715 3.570 -2.995 1.00 0.00 H new ATOM 1266 N VAL A 77 -9.772 0.965 -4.555 1.00 0.00 N ATOM 1267 CA VAL A 77 -8.648 0.675 -5.521 1.00 0.00 C ATOM 1268 C VAL A 77 -9.079 -0.409 -6.512 1.00 0.00 C ATOM 1269 O VAL A 77 -8.731 -0.350 -7.662 1.00 0.00 O ATOM 1270 CB VAL A 77 -7.386 0.236 -4.775 1.00 0.00 C ATOM 1271 CG1 VAL A 77 -6.343 -0.255 -5.792 1.00 0.00 C ATOM 1272 CG2 VAL A 77 -6.813 1.440 -4.018 1.00 0.00 C ATOM 0 H VAL A 77 -9.987 0.216 -3.897 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.419 1.590 -6.067 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.628 -0.566 -4.077 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.442 -0.569 -5.266 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.749 -1.098 -6.351 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.098 0.553 -6.481 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.913 1.138 -3.482 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.566 2.231 -4.726 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.552 1.808 -3.307 1.00 0.00 H new ATOM 1282 N ASP A 78 -9.850 -1.376 -6.104 1.00 0.00 N ATOM 1283 CA ASP A 78 -10.303 -2.406 -7.090 1.00 0.00 C ATOM 1284 C ASP A 78 -11.044 -1.691 -8.217 1.00 0.00 C ATOM 1285 O ASP A 78 -12.119 -1.161 -8.027 1.00 0.00 O ATOM 1286 CB ASP A 78 -11.255 -3.392 -6.423 1.00 0.00 C ATOM 1287 CG ASP A 78 -10.521 -4.154 -5.321 1.00 0.00 C ATOM 1288 OD1 ASP A 78 -9.304 -4.075 -5.283 1.00 0.00 O ATOM 1289 OD2 ASP A 78 -11.187 -4.804 -4.532 1.00 0.00 O ATOM 0 H ASP A 78 -10.184 -1.501 -5.148 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.440 -2.951 -7.473 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.109 -2.860 -6.003 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.647 -4.091 -7.162 1.00 0.00 H new ATOM 1294 N THR A 79 -10.459 -1.636 -9.386 1.00 0.00 N ATOM 1295 CA THR A 79 -11.112 -0.916 -10.518 1.00 0.00 C ATOM 1296 C THR A 79 -12.107 -1.825 -11.250 1.00 0.00 C ATOM 1297 O THR A 79 -13.263 -1.484 -11.404 1.00 0.00 O ATOM 1298 CB THR A 79 -10.041 -0.398 -11.512 1.00 0.00 C ATOM 1299 OG1 THR A 79 -10.068 -1.163 -12.708 1.00 0.00 O ATOM 1300 CG2 THR A 79 -8.632 -0.460 -10.890 1.00 0.00 C ATOM 0 H THR A 79 -9.557 -2.059 -9.605 1.00 0.00 H new ATOM 0 HA THR A 79 -11.660 -0.069 -10.107 1.00 0.00 H new ATOM 0 HB THR A 79 -10.274 0.642 -11.742 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.267 -0.576 -13.467 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.900 -0.091 -11.609 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.603 0.158 -9.993 1.00 0.00 H new ATOM 0 HG23 THR A 79 -8.395 -1.491 -10.628 1.00 0.00 H new ATOM 1308 N ASN A 80 -11.672 -2.965 -11.708 1.00 0.00 N ATOM 1309 CA ASN A 80 -12.595 -3.896 -12.446 1.00 0.00 C ATOM 1310 C ASN A 80 -13.033 -5.028 -11.519 1.00 0.00 C ATOM 1311 O ASN A 80 -13.412 -6.093 -11.960 1.00 0.00 O ATOM 1312 CB ASN A 80 -11.890 -4.477 -13.672 1.00 0.00 C ATOM 1313 CG ASN A 80 -11.399 -3.339 -14.568 1.00 0.00 C ATOM 1314 OD1 ASN A 80 -10.258 -3.329 -14.987 1.00 0.00 O ATOM 1315 ND2 ASN A 80 -12.218 -2.374 -14.881 1.00 0.00 N ATOM 0 H ASN A 80 -10.714 -3.301 -11.607 1.00 0.00 H new ATOM 0 HA ASN A 80 -13.471 -3.337 -12.775 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -11.049 -5.097 -13.361 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -12.573 -5.121 -14.226 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -11.901 -1.610 -15.478 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -13.175 -2.383 -14.529 1.00 0.00 H new ATOM 1322 N GLN A 81 -13.009 -4.774 -10.241 1.00 0.00 N ATOM 1323 CA GLN A 81 -13.442 -5.785 -9.230 1.00 0.00 C ATOM 1324 C GLN A 81 -13.106 -7.217 -9.666 1.00 0.00 C ATOM 1325 O GLN A 81 -13.771 -8.159 -9.282 1.00 0.00 O ATOM 1326 CB GLN A 81 -14.956 -5.659 -9.001 1.00 0.00 C ATOM 1327 CG GLN A 81 -15.249 -4.449 -8.104 1.00 0.00 C ATOM 1328 CD GLN A 81 -14.948 -4.804 -6.644 1.00 0.00 C ATOM 1329 OE1 GLN A 81 -14.294 -5.901 -6.372 1.00 0.00 O flip ATOM 1330 NE2 GLN A 81 -15.313 -4.076 -5.744 1.00 0.00 N flip ATOM 0 H GLN A 81 -12.700 -3.887 -9.843 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.899 -5.586 -8.306 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -15.469 -5.547 -9.956 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -15.339 -6.568 -8.537 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.642 -3.599 -8.414 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.292 -4.151 -8.208 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -15.824 -3.219 -5.957 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -15.109 -4.321 -4.775 1.00 0.00 H new ATOM 1339 N ASP A 82 -12.072 -7.398 -10.430 1.00 0.00 N ATOM 1340 CA ASP A 82 -11.694 -8.778 -10.845 1.00 0.00 C ATOM 1341 C ASP A 82 -10.910 -9.397 -9.695 1.00 0.00 C ATOM 1342 O ASP A 82 -10.300 -10.440 -9.818 1.00 0.00 O ATOM 1343 CB ASP A 82 -10.816 -8.719 -12.096 1.00 0.00 C ATOM 1344 CG ASP A 82 -9.652 -7.755 -11.859 1.00 0.00 C ATOM 1345 OD1 ASP A 82 -9.751 -6.950 -10.948 1.00 0.00 O ATOM 1346 OD2 ASP A 82 -8.682 -7.837 -12.595 1.00 0.00 O ATOM 0 H ASP A 82 -11.471 -6.655 -10.786 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.580 -9.371 -11.074 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.436 -9.713 -12.334 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -11.406 -8.390 -12.952 1.00 0.00 H new ATOM 1351 N ARG A 83 -10.915 -8.721 -8.579 1.00 0.00 N ATOM 1352 CA ARG A 83 -10.167 -9.194 -7.381 1.00 0.00 C ATOM 1353 C ARG A 83 -8.672 -9.128 -7.688 1.00 0.00 C ATOM 1354 O ARG A 83 -7.837 -9.344 -6.833 1.00 0.00 O ATOM 1355 CB ARG A 83 -10.576 -10.626 -7.009 1.00 0.00 C ATOM 1356 CG ARG A 83 -12.105 -10.782 -7.142 1.00 0.00 C ATOM 1357 CD ARG A 83 -12.586 -11.961 -6.288 1.00 0.00 C ATOM 1358 NE ARG A 83 -11.624 -13.107 -6.407 1.00 0.00 N ATOM 1359 CZ ARG A 83 -11.305 -13.614 -7.567 1.00 0.00 C ATOM 1360 NH1 ARG A 83 -11.948 -13.257 -8.646 1.00 0.00 N ATOM 1361 NH2 ARG A 83 -10.373 -14.524 -7.641 1.00 0.00 N ATOM 0 H ARG A 83 -11.417 -7.843 -8.445 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.401 -8.555 -6.529 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.070 -11.339 -7.660 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.265 -10.850 -5.988 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.602 -9.865 -6.824 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.373 -10.945 -8.186 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.672 -11.654 -5.246 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -13.579 -12.274 -6.611 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.210 -13.499 -5.561 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.706 -12.577 -8.587 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.692 -13.658 -9.548 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.897 -14.836 -6.795 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.120 -14.923 -8.545 1.00 0.00 H new ATOM 1375 N LEU A 84 -8.336 -8.800 -8.909 1.00 0.00 N ATOM 1376 CA LEU A 84 -6.908 -8.675 -9.317 1.00 0.00 C ATOM 1377 C LEU A 84 -6.669 -7.224 -9.718 1.00 0.00 C ATOM 1378 O LEU A 84 -7.468 -6.625 -10.411 1.00 0.00 O ATOM 1379 CB LEU A 84 -6.630 -9.582 -10.523 1.00 0.00 C ATOM 1380 CG LEU A 84 -6.991 -11.053 -10.190 1.00 0.00 C ATOM 1381 CD1 LEU A 84 -7.262 -11.819 -11.491 1.00 0.00 C ATOM 1382 CD2 LEU A 84 -5.839 -11.750 -9.427 1.00 0.00 C ATOM 0 H LEU A 84 -9.006 -8.610 -9.654 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.252 -8.968 -8.497 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.211 -9.244 -11.381 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.579 -9.514 -10.803 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.879 -11.052 -9.558 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.516 -12.853 -11.258 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.092 -11.352 -12.022 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.371 -11.797 -12.119 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.119 -12.780 -9.206 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.939 -11.743 -10.042 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.646 -11.219 -8.495 1.00 0.00 H new ATOM 1394 N VAL A 85 -5.588 -6.648 -9.268 1.00 0.00 N ATOM 1395 CA VAL A 85 -5.294 -5.215 -9.593 1.00 0.00 C ATOM 1396 C VAL A 85 -4.086 -5.129 -10.523 1.00 0.00 C ATOM 1397 O VAL A 85 -3.050 -5.700 -10.244 1.00 0.00 O ATOM 1398 CB VAL A 85 -4.966 -4.473 -8.294 1.00 0.00 C ATOM 1399 CG1 VAL A 85 -4.535 -3.044 -8.625 1.00 0.00 C ATOM 1400 CG2 VAL A 85 -6.205 -4.439 -7.393 1.00 0.00 C ATOM 0 H VAL A 85 -4.889 -7.108 -8.685 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.161 -4.770 -10.082 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.158 -4.988 -7.774 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.300 -2.512 -7.703 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.652 -3.069 -9.264 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.344 -2.531 -9.144 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.969 -3.911 -6.469 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -7.016 -3.924 -7.909 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.513 -5.458 -7.159 1.00 0.00 H new ATOM 1410 N THR A 86 -4.195 -4.401 -11.613 1.00 0.00 N ATOM 1411 CA THR A 86 -3.026 -4.262 -12.543 1.00 0.00 C ATOM 1412 C THR A 86 -2.429 -2.865 -12.369 1.00 0.00 C ATOM 1413 O THR A 86 -3.081 -1.965 -11.886 1.00 0.00 O ATOM 1414 CB THR A 86 -3.474 -4.458 -13.987 1.00 0.00 C ATOM 1415 OG1 THR A 86 -4.282 -3.361 -14.390 1.00 0.00 O ATOM 1416 CG2 THR A 86 -4.270 -5.755 -14.105 1.00 0.00 C ATOM 0 H THR A 86 -5.037 -3.901 -11.897 1.00 0.00 H new ATOM 0 HA THR A 86 -2.279 -5.020 -12.309 1.00 0.00 H new ATOM 0 HB THR A 86 -2.597 -4.514 -14.632 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.435 -3.405 -15.357 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.589 -5.893 -15.138 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.644 -6.595 -13.803 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.146 -5.704 -13.458 1.00 0.00 H new ATOM 1424 N LEU A 87 -1.205 -2.677 -12.766 1.00 0.00 N ATOM 1425 CA LEU A 87 -0.568 -1.335 -12.631 1.00 0.00 C ATOM 1426 C LEU A 87 -1.364 -0.315 -13.448 1.00 0.00 C ATOM 1427 O LEU A 87 -1.498 0.831 -13.073 1.00 0.00 O ATOM 1428 CB LEU A 87 0.871 -1.418 -13.183 1.00 0.00 C ATOM 1429 CG LEU A 87 1.552 -0.012 -13.262 1.00 0.00 C ATOM 1430 CD1 LEU A 87 2.358 0.268 -11.990 1.00 0.00 C ATOM 1431 CD2 LEU A 87 2.492 0.046 -14.476 1.00 0.00 C ATOM 0 H LEU A 87 -0.613 -3.397 -13.181 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.552 -1.029 -11.585 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.466 -2.073 -12.547 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.853 -1.868 -14.176 1.00 0.00 H new ATOM 0 HG LEU A 87 0.771 0.742 -13.363 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.824 1.250 -12.064 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.694 0.245 -11.126 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.130 -0.492 -11.874 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.963 1.028 -14.525 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.261 -0.721 -14.378 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.920 -0.128 -15.388 1.00 0.00 H new ATOM 1443 N GLU A 88 -1.862 -0.716 -14.574 1.00 0.00 N ATOM 1444 CA GLU A 88 -2.608 0.236 -15.442 1.00 0.00 C ATOM 1445 C GLU A 88 -3.835 0.810 -14.722 1.00 0.00 C ATOM 1446 O GLU A 88 -3.891 1.985 -14.401 1.00 0.00 O ATOM 1447 CB GLU A 88 -3.069 -0.508 -16.697 1.00 0.00 C ATOM 1448 CG GLU A 88 -1.846 -1.018 -17.463 1.00 0.00 C ATOM 1449 CD GLU A 88 -2.294 -1.643 -18.786 1.00 0.00 C ATOM 1450 OE1 GLU A 88 -2.789 -2.758 -18.754 1.00 0.00 O ATOM 1451 OE2 GLU A 88 -2.132 -0.997 -19.807 1.00 0.00 O ATOM 0 H GLU A 88 -1.787 -1.666 -14.937 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.947 1.064 -15.698 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.714 -1.343 -16.422 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.658 0.155 -17.330 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.154 -0.197 -17.653 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.310 -1.754 -16.864 1.00 0.00 H new ATOM 1458 N GLU A 89 -4.828 0.000 -14.490 1.00 0.00 N ATOM 1459 CA GLU A 89 -6.063 0.502 -13.827 1.00 0.00 C ATOM 1460 C GLU A 89 -5.733 1.055 -12.432 1.00 0.00 C ATOM 1461 O GLU A 89 -6.386 1.957 -11.946 1.00 0.00 O ATOM 1462 CB GLU A 89 -7.097 -0.638 -13.723 1.00 0.00 C ATOM 1463 CG GLU A 89 -7.054 -1.500 -14.995 1.00 0.00 C ATOM 1464 CD GLU A 89 -7.178 -0.600 -16.227 1.00 0.00 C ATOM 1465 OE1 GLU A 89 -8.046 0.257 -16.225 1.00 0.00 O ATOM 1466 OE2 GLU A 89 -6.402 -0.783 -17.150 1.00 0.00 O ATOM 0 H GLU A 89 -4.838 -0.991 -14.731 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.485 1.310 -14.425 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.886 -1.254 -12.849 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.096 -0.224 -13.587 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.121 -2.062 -15.035 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.865 -2.229 -14.981 1.00 0.00 H new ATOM 1473 N PHE A 90 -4.733 0.526 -11.781 1.00 0.00 N ATOM 1474 CA PHE A 90 -4.380 1.028 -10.418 1.00 0.00 C ATOM 1475 C PHE A 90 -3.904 2.485 -10.505 1.00 0.00 C ATOM 1476 O PHE A 90 -4.396 3.351 -9.806 1.00 0.00 O ATOM 1477 CB PHE A 90 -3.271 0.143 -9.840 1.00 0.00 C ATOM 1478 CG PHE A 90 -2.540 0.856 -8.719 1.00 0.00 C ATOM 1479 CD1 PHE A 90 -3.090 0.897 -7.433 1.00 0.00 C ATOM 1480 CD2 PHE A 90 -1.317 1.484 -8.979 1.00 0.00 C ATOM 1481 CE1 PHE A 90 -2.413 1.565 -6.405 1.00 0.00 C ATOM 1482 CE2 PHE A 90 -0.639 2.150 -7.952 1.00 0.00 C ATOM 1483 CZ PHE A 90 -1.187 2.191 -6.666 1.00 0.00 C ATOM 0 H PHE A 90 -4.145 -0.230 -12.131 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.255 0.989 -9.769 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -3.700 -0.787 -9.467 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -2.566 -0.124 -10.627 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -4.035 0.414 -7.233 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.896 1.455 -9.973 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.836 1.598 -5.412 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.307 2.632 -8.152 1.00 0.00 H new ATOM 0 HZ PHE A 90 -0.665 2.706 -5.873 1.00 0.00 H new ATOM 1493 N LEU A 91 -2.960 2.764 -11.360 1.00 0.00 N ATOM 1494 CA LEU A 91 -2.463 4.163 -11.494 1.00 0.00 C ATOM 1495 C LEU A 91 -3.655 5.113 -11.618 1.00 0.00 C ATOM 1496 O LEU A 91 -3.701 6.154 -10.992 1.00 0.00 O ATOM 1497 CB LEU A 91 -1.590 4.267 -12.749 1.00 0.00 C ATOM 1498 CG LEU A 91 -0.217 3.613 -12.487 1.00 0.00 C ATOM 1499 CD1 LEU A 91 0.538 3.485 -13.815 1.00 0.00 C ATOM 1500 CD2 LEU A 91 0.615 4.459 -11.493 1.00 0.00 C ATOM 0 H LEU A 91 -2.510 2.084 -11.973 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.875 4.433 -10.617 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.083 3.775 -13.588 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.458 5.313 -13.025 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.373 2.627 -12.049 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.510 3.024 -13.638 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.038 2.866 -14.503 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.680 4.474 -14.250 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.579 3.978 -11.324 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.774 5.455 -11.907 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.079 4.541 -10.547 1.00 0.00 H new ATOM 1512 N ALA A 92 -4.618 4.762 -12.425 1.00 0.00 N ATOM 1513 CA ALA A 92 -5.810 5.643 -12.596 1.00 0.00 C ATOM 1514 C ALA A 92 -6.453 5.948 -11.235 1.00 0.00 C ATOM 1515 O ALA A 92 -6.578 7.089 -10.838 1.00 0.00 O ATOM 1516 CB ALA A 92 -6.842 4.931 -13.470 1.00 0.00 C ATOM 0 H ALA A 92 -4.632 3.903 -12.974 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.490 6.575 -13.062 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.715 5.571 -13.597 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.406 4.714 -14.445 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.143 3.999 -12.992 1.00 0.00 H new ATOM 1522 N SER A 93 -6.891 4.932 -10.539 1.00 0.00 N ATOM 1523 CA SER A 93 -7.564 5.141 -9.223 1.00 0.00 C ATOM 1524 C SER A 93 -6.837 6.196 -8.387 1.00 0.00 C ATOM 1525 O SER A 93 -7.457 6.954 -7.668 1.00 0.00 O ATOM 1526 CB SER A 93 -7.595 3.822 -8.453 1.00 0.00 C ATOM 1527 OG SER A 93 -8.021 4.068 -7.120 1.00 0.00 O ATOM 0 H SER A 93 -6.810 3.957 -10.829 1.00 0.00 H new ATOM 0 HA SER A 93 -8.578 5.492 -9.412 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.271 3.119 -8.940 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.606 3.364 -8.453 1.00 0.00 H new ATOM 0 HG SER A 93 -8.809 3.520 -6.922 1.00 0.00 H new ATOM 1533 N THR A 94 -5.533 6.267 -8.465 1.00 0.00 N ATOM 1534 CA THR A 94 -4.812 7.296 -7.653 1.00 0.00 C ATOM 1535 C THR A 94 -4.817 8.619 -8.419 1.00 0.00 C ATOM 1536 O THR A 94 -5.197 9.646 -7.894 1.00 0.00 O ATOM 1537 CB THR A 94 -3.374 6.848 -7.374 1.00 0.00 C ATOM 1538 OG1 THR A 94 -2.650 6.797 -8.596 1.00 0.00 O ATOM 1539 CG2 THR A 94 -3.383 5.463 -6.726 1.00 0.00 C ATOM 0 H THR A 94 -4.944 5.669 -9.044 1.00 0.00 H new ATOM 0 HA THR A 94 -5.316 7.424 -6.695 1.00 0.00 H new ATOM 0 HB THR A 94 -2.898 7.558 -6.698 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.224 6.431 -9.301 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.359 5.147 -6.529 1.00 0.00 H new ATOM 0 HG22 THR A 94 -3.937 5.504 -5.788 1.00 0.00 H new ATOM 0 HG23 THR A 94 -3.860 4.750 -7.398 1.00 0.00 H new