USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 803 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 52 GLN : amide:sc= -4.84 K(o=-6.4,f=-7.7!) USER MOD Set 1.2: A 116 THR OG1 : rot -100:sc= -1.6 USER MOD Set 2.1: A 37 GLN :FLIP amide:sc= -0.204 F(o=-1.5!,f=1.7) USER MOD Set 2.2: A 107 THR OG1 : rot 73:sc= 1.95 USER MOD Set 3.1: A 70 GLN : amide:sc= -2.6 K(o=-3.1,f=-5.2) USER MOD Set 3.2: A 97 SER OG : rot 180:sc= -0.464 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -3.8! C(o=-3.8!,f=-11!) USER MOD Single : A 24 HIS : no HD1:sc= -0.209 X(o=-0.21,f=-0.072) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.0015 X(o=-0.0015,f=0) USER MOD Single : A 32 GLN : amide:sc= -7.65! C(o=-7.7!,f=-9.3!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.0318 K(o=-0.032,f=-0.86) USER MOD Single : A 44 ASN : amide:sc= -1.49 K(o=-1.5,f=-2.8!) USER MOD Single : A 46 ASN : amide:sc= -0.181 K(o=-0.18,f=-1.9!) USER MOD Single : A 47 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0252) USER MOD Single : A 48 SER OG : rot 180:sc= 0.418 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -160:sc= -0.0598 (180deg=-0.444) USER MOD Single : A 63 CYS SG : rot 170:sc= 0.396 USER MOD Single : A 65 MET CE :methyl -152:sc= -1.11 (180deg=-1.72!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.0611 X(o=-0.061,f=0) USER MOD Single : A 89 ASN : amide:sc= -1.21 K(o=-1.2,f=-2.5!) USER MOD Single : A 90 TYR OH : rot 165:sc= -0.443 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 53:sc= 1.3 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -156:sc= 0.0756 (180deg=0.0174) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0267) USER MOD Single : A 112 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0727) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 117 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 295 N LEU A 18 -13.981 14.546 4.500 1.00 0.00 N ATOM 296 CA LEU A 18 -14.286 13.125 4.368 1.00 0.00 C ATOM 297 C LEU A 18 -13.631 12.541 3.122 1.00 0.00 C ATOM 298 O LEU A 18 -12.772 11.663 3.213 1.00 0.00 O ATOM 299 CB LEU A 18 -15.799 12.912 4.311 1.00 0.00 C ATOM 300 CG LEU A 18 -16.297 11.523 4.716 1.00 0.00 C ATOM 301 CD1 LEU A 18 -15.845 10.479 3.708 1.00 0.00 C ATOM 302 CD2 LEU A 18 -15.806 11.167 6.112 1.00 0.00 C ATOM 0 HA LEU A 18 -13.885 12.610 5.241 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -16.274 13.649 4.958 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -16.136 13.115 3.295 1.00 0.00 H new ATOM 0 HG LEU A 18 -17.387 11.538 4.728 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -16.209 9.498 4.013 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -16.246 10.725 2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -14.756 10.464 3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -16.170 10.176 6.384 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -14.716 11.170 6.126 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -16.180 11.900 6.827 1.00 0.00 H new ATOM 314 N ILE A 19 -14.040 13.035 1.958 1.00 0.00 N ATOM 315 CA ILE A 19 -13.491 12.563 0.692 1.00 0.00 C ATOM 316 C ILE A 19 -11.971 12.460 0.758 1.00 0.00 C ATOM 317 O ILE A 19 -11.389 11.453 0.355 1.00 0.00 O ATOM 318 CB ILE A 19 -13.882 13.492 -0.472 1.00 0.00 C ATOM 319 CG1 ILE A 19 -15.354 13.296 -0.838 1.00 0.00 C ATOM 320 CG2 ILE A 19 -12.990 13.233 -1.678 1.00 0.00 C ATOM 321 CD1 ILE A 19 -15.665 11.914 -1.370 1.00 0.00 C ATOM 0 H ILE A 19 -14.750 13.762 1.865 1.00 0.00 H new ATOM 0 HA ILE A 19 -13.913 11.574 0.513 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.742 14.526 -0.156 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -15.967 13.484 0.043 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -15.636 14.037 -1.586 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -13.278 13.897 -2.493 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.950 13.419 -1.408 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.102 12.197 -1.997 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -16.726 11.846 -1.609 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -15.078 11.730 -2.270 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -15.415 11.169 -0.615 1.00 0.00 H new ATOM 333 N GLU A 20 -11.333 13.509 1.270 1.00 0.00 N ATOM 334 CA GLU A 20 -9.881 13.534 1.389 1.00 0.00 C ATOM 335 C GLU A 20 -9.371 12.289 2.110 1.00 0.00 C ATOM 336 O GLU A 20 -8.501 11.580 1.605 1.00 0.00 O ATOM 337 CB GLU A 20 -9.430 14.790 2.139 1.00 0.00 C ATOM 338 CG GLU A 20 -7.950 15.096 1.980 1.00 0.00 C ATOM 339 CD GLU A 20 -7.498 15.054 0.534 1.00 0.00 C ATOM 340 OE1 GLU A 20 -7.940 15.918 -0.252 1.00 0.00 O ATOM 341 OE2 GLU A 20 -6.699 14.158 0.188 1.00 0.00 O ATOM 0 H GLU A 20 -11.799 14.351 1.608 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.461 13.548 0.383 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.009 15.643 1.784 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.656 14.671 3.199 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.740 16.082 2.394 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.370 14.377 2.559 1.00 0.00 H new ATOM 348 N GLN A 21 -9.920 12.030 3.292 1.00 0.00 N ATOM 349 CA GLN A 21 -9.521 10.872 4.083 1.00 0.00 C ATOM 350 C GLN A 21 -9.765 9.578 3.314 1.00 0.00 C ATOM 351 O GLN A 21 -8.974 8.640 3.391 1.00 0.00 O ATOM 352 CB GLN A 21 -10.285 10.844 5.408 1.00 0.00 C ATOM 353 CG GLN A 21 -9.673 11.731 6.481 1.00 0.00 C ATOM 354 CD GLN A 21 -10.048 11.292 7.883 1.00 0.00 C ATOM 355 OE1 GLN A 21 -11.037 11.759 8.448 1.00 0.00 O ATOM 356 NE2 GLN A 21 -9.257 10.388 8.452 1.00 0.00 N ATOM 0 H GLN A 21 -10.643 12.607 3.723 1.00 0.00 H new ATOM 0 HA GLN A 21 -8.454 10.955 4.290 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.314 11.158 5.232 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -10.323 9.818 5.774 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -8.588 11.722 6.379 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.999 12.760 6.327 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.448 10.028 7.946 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -9.459 10.054 9.394 1.00 0.00 H new ATOM 365 N ALA A 22 -10.868 9.536 2.573 1.00 0.00 N ATOM 366 CA ALA A 22 -11.216 8.357 1.788 1.00 0.00 C ATOM 367 C ALA A 22 -10.191 8.108 0.687 1.00 0.00 C ATOM 368 O ALA A 22 -9.698 6.993 0.526 1.00 0.00 O ATOM 369 CB ALA A 22 -12.607 8.512 1.192 1.00 0.00 C ATOM 0 H ALA A 22 -11.535 10.304 2.500 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.212 7.494 2.453 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.854 7.625 0.609 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.335 8.633 1.994 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.630 9.389 0.546 1.00 0.00 H new ATOM 375 N ASN A 23 -9.876 9.155 -0.069 1.00 0.00 N ATOM 376 CA ASN A 23 -8.910 9.049 -1.157 1.00 0.00 C ATOM 377 C ASN A 23 -7.550 8.600 -0.635 1.00 0.00 C ATOM 378 O ASN A 23 -6.871 7.785 -1.259 1.00 0.00 O ATOM 379 CB ASN A 23 -8.775 10.391 -1.879 1.00 0.00 C ATOM 380 CG ASN A 23 -10.114 11.070 -2.094 1.00 0.00 C ATOM 381 OD1 ASN A 23 -10.265 12.265 -1.838 1.00 0.00 O ATOM 382 ND2 ASN A 23 -11.094 10.308 -2.566 1.00 0.00 N ATOM 0 H ASN A 23 -10.275 10.086 0.052 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.274 8.300 -1.861 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.126 11.048 -1.300 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -8.291 10.235 -2.843 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -12.017 10.709 -2.731 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.923 9.322 -2.764 1.00 0.00 H new ATOM 389 N HIS A 24 -7.157 9.138 0.516 1.00 0.00 N ATOM 390 CA HIS A 24 -5.876 8.792 1.123 1.00 0.00 C ATOM 391 C HIS A 24 -5.851 7.324 1.538 1.00 0.00 C ATOM 392 O HIS A 24 -4.863 6.624 1.319 1.00 0.00 O ATOM 393 CB HIS A 24 -5.608 9.682 2.338 1.00 0.00 C ATOM 394 CG HIS A 24 -4.817 10.911 2.015 1.00 0.00 C ATOM 395 ND1 HIS A 24 -4.312 11.757 2.981 1.00 0.00 N ATOM 396 CD2 HIS A 24 -4.444 11.438 0.825 1.00 0.00 C ATOM 397 CE1 HIS A 24 -3.663 12.749 2.399 1.00 0.00 C ATOM 398 NE2 HIS A 24 -3.728 12.579 1.092 1.00 0.00 N ATOM 0 H HIS A 24 -7.706 9.814 1.046 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.094 8.955 0.382 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -6.560 9.978 2.779 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -5.074 9.103 3.092 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -4.668 11.036 -0.152 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -3.164 13.561 2.906 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.313 13.195 0.393 1.00 0.00 H new ATOM 406 N ALA A 25 -6.944 6.865 2.139 1.00 0.00 N ATOM 407 CA ALA A 25 -7.047 5.480 2.582 1.00 0.00 C ATOM 408 C ALA A 25 -6.928 4.517 1.407 1.00 0.00 C ATOM 409 O ALA A 25 -6.130 3.579 1.440 1.00 0.00 O ATOM 410 CB ALA A 25 -8.361 5.258 3.319 1.00 0.00 C ATOM 0 H ALA A 25 -7.770 7.432 2.330 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.221 5.281 3.265 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.425 4.220 3.644 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.406 5.914 4.188 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.194 5.481 2.653 1.00 0.00 H new ATOM 416 N ILE A 26 -7.725 4.753 0.372 1.00 0.00 N ATOM 417 CA ILE A 26 -7.708 3.905 -0.815 1.00 0.00 C ATOM 418 C ILE A 26 -6.366 3.992 -1.533 1.00 0.00 C ATOM 419 O ILE A 26 -5.907 3.021 -2.132 1.00 0.00 O ATOM 420 CB ILE A 26 -8.830 4.289 -1.798 1.00 0.00 C ATOM 421 CG1 ILE A 26 -8.645 5.728 -2.280 1.00 0.00 C ATOM 422 CG2 ILE A 26 -10.191 4.116 -1.140 1.00 0.00 C ATOM 423 CD1 ILE A 26 -9.708 6.179 -3.257 1.00 0.00 C ATOM 0 H ILE A 26 -8.391 5.524 0.330 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.870 2.882 -0.474 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.778 3.627 -2.663 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.649 6.395 -1.418 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.667 5.822 -2.751 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.974 4.391 -1.846 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.321 3.076 -0.841 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.254 4.757 -0.261 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.514 7.209 -3.556 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.690 5.536 -4.137 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.688 6.118 -2.783 1.00 0.00 H new ATOM 435 N GLU A 27 -5.741 5.164 -1.467 1.00 0.00 N ATOM 436 CA GLU A 27 -4.451 5.379 -2.112 1.00 0.00 C ATOM 437 C GLU A 27 -3.375 4.498 -1.482 1.00 0.00 C ATOM 438 O GLU A 27 -2.677 3.759 -2.176 1.00 0.00 O ATOM 439 CB GLU A 27 -4.043 6.850 -2.012 1.00 0.00 C ATOM 440 CG GLU A 27 -2.723 7.164 -2.695 1.00 0.00 C ATOM 441 CD GLU A 27 -2.877 7.399 -4.184 1.00 0.00 C ATOM 442 OE1 GLU A 27 -3.929 7.015 -4.740 1.00 0.00 O ATOM 443 OE2 GLU A 27 -1.947 7.966 -4.795 1.00 0.00 O ATOM 0 H GLU A 27 -6.107 5.978 -0.974 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.550 5.108 -3.163 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.826 7.466 -2.453 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.973 7.128 -0.960 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.282 8.049 -2.235 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.029 6.340 -2.531 1.00 0.00 H new ATOM 450 N LYS A 28 -3.248 4.583 -0.161 1.00 0.00 N ATOM 451 CA LYS A 28 -2.259 3.794 0.564 1.00 0.00 C ATOM 452 C LYS A 28 -2.521 2.302 0.392 1.00 0.00 C ATOM 453 O LYS A 28 -1.611 1.533 0.087 1.00 0.00 O ATOM 454 CB LYS A 28 -2.279 4.158 2.051 1.00 0.00 C ATOM 455 CG LYS A 28 -1.296 3.357 2.886 1.00 0.00 C ATOM 456 CD LYS A 28 -1.549 3.538 4.373 1.00 0.00 C ATOM 457 CE LYS A 28 -1.309 4.976 4.807 1.00 0.00 C ATOM 458 NZ LYS A 28 -1.080 5.080 6.275 1.00 0.00 N ATOM 0 H LYS A 28 -3.818 5.190 0.428 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.276 4.022 0.152 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.055 5.219 2.160 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.285 4.003 2.441 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.375 2.301 2.629 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.278 3.668 2.649 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.575 3.253 4.606 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.897 2.872 4.938 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.446 5.377 4.275 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.167 5.588 4.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.920 6.075 6.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.914 4.721 6.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.246 4.517 6.537 1.00 0.00 H new ATOM 472 N GLY A 29 -3.773 1.898 0.589 1.00 0.00 N ATOM 473 CA GLY A 29 -4.131 0.498 0.449 1.00 0.00 C ATOM 474 C GLY A 29 -3.906 -0.021 -0.957 1.00 0.00 C ATOM 475 O GLY A 29 -3.542 -1.181 -1.145 1.00 0.00 O ATOM 0 H GLY A 29 -4.545 2.515 0.843 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.544 -0.096 1.150 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.179 0.366 0.718 1.00 0.00 H new ATOM 479 N GLU A 30 -4.122 0.841 -1.946 1.00 0.00 N ATOM 480 CA GLU A 30 -3.943 0.461 -3.342 1.00 0.00 C ATOM 481 C GLU A 30 -2.464 0.258 -3.664 1.00 0.00 C ATOM 482 O GLU A 30 -2.093 -0.690 -4.357 1.00 0.00 O ATOM 483 CB GLU A 30 -4.536 1.527 -4.265 1.00 0.00 C ATOM 484 CG GLU A 30 -4.506 1.145 -5.736 1.00 0.00 C ATOM 485 CD GLU A 30 -5.270 2.122 -6.607 1.00 0.00 C ATOM 486 OE1 GLU A 30 -6.006 2.962 -6.050 1.00 0.00 O ATOM 487 OE2 GLU A 30 -5.132 2.045 -7.846 1.00 0.00 O ATOM 0 H GLU A 30 -4.421 1.806 -1.806 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.466 -0.481 -3.506 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.567 1.718 -3.969 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.987 2.459 -4.129 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.471 1.095 -6.074 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.929 0.148 -5.857 1.00 0.00 H new ATOM 494 N HIS A 31 -1.625 1.157 -3.158 1.00 0.00 N ATOM 495 CA HIS A 31 -0.188 1.077 -3.391 1.00 0.00 C ATOM 496 C HIS A 31 0.399 -0.175 -2.746 1.00 0.00 C ATOM 497 O HIS A 31 1.071 -0.967 -3.406 1.00 0.00 O ATOM 498 CB HIS A 31 0.509 2.323 -2.842 1.00 0.00 C ATOM 499 CG HIS A 31 1.965 2.394 -3.184 1.00 0.00 C ATOM 500 ND1 HIS A 31 2.885 3.076 -2.417 1.00 0.00 N ATOM 501 CD2 HIS A 31 2.659 1.861 -4.217 1.00 0.00 C ATOM 502 CE1 HIS A 31 4.082 2.962 -2.964 1.00 0.00 C ATOM 503 NE2 HIS A 31 3.972 2.230 -4.058 1.00 0.00 N ATOM 0 H HIS A 31 -1.916 1.949 -2.584 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.022 1.021 -4.467 1.00 0.00 H new ATOM 0 HB2 HIS A 31 0.009 3.210 -3.231 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.397 2.344 -1.758 1.00 0.00 H new ATOM 0 HD2 HIS A 31 2.255 1.258 -5.017 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.995 3.394 -2.582 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.738 1.980 -4.683 1.00 0.00 H new ATOM 511 N GLN A 32 0.142 -0.344 -1.453 1.00 0.00 N ATOM 512 CA GLN A 32 0.646 -1.499 -0.719 1.00 0.00 C ATOM 513 C GLN A 32 0.108 -2.798 -1.311 1.00 0.00 C ATOM 514 O GLN A 32 0.826 -3.794 -1.406 1.00 0.00 O ATOM 515 CB GLN A 32 0.260 -1.400 0.757 1.00 0.00 C ATOM 516 CG GLN A 32 -1.241 -1.359 0.993 1.00 0.00 C ATOM 517 CD GLN A 32 -1.845 -2.741 1.145 1.00 0.00 C ATOM 518 OE1 GLN A 32 -2.825 -3.080 0.478 1.00 0.00 O ATOM 519 NE2 GLN A 32 -1.264 -3.549 2.024 1.00 0.00 N ATOM 0 H GLN A 32 -0.412 0.304 -0.892 1.00 0.00 H new ATOM 0 HA GLN A 32 1.733 -1.505 -0.804 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.680 -2.252 1.292 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.711 -0.503 1.182 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.448 -0.775 1.890 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.722 -0.846 0.160 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.455 -3.227 2.555 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.627 -4.491 2.168 1.00 0.00 H new ATOM 528 N LEU A 33 -1.160 -2.781 -1.709 1.00 0.00 N ATOM 529 CA LEU A 33 -1.795 -3.958 -2.291 1.00 0.00 C ATOM 530 C LEU A 33 -1.111 -4.356 -3.595 1.00 0.00 C ATOM 531 O LEU A 33 -0.788 -5.527 -3.807 1.00 0.00 O ATOM 532 CB LEU A 33 -3.279 -3.688 -2.543 1.00 0.00 C ATOM 533 CG LEU A 33 -4.069 -4.828 -3.188 1.00 0.00 C ATOM 534 CD1 LEU A 33 -3.929 -4.784 -4.702 1.00 0.00 C ATOM 535 CD2 LEU A 33 -3.603 -6.172 -2.646 1.00 0.00 C ATOM 0 H LEU A 33 -1.768 -1.965 -1.639 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.696 -4.781 -1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.749 -3.440 -1.591 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.364 -2.808 -3.180 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.122 -4.703 -2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.498 -5.602 -5.144 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.311 -3.834 -5.075 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.878 -4.884 -4.973 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.176 -6.972 -3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.544 -6.306 -2.867 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.755 -6.202 -1.567 1.00 0.00 H new ATOM 547 N LEU A 34 -0.890 -3.376 -4.464 1.00 0.00 N ATOM 548 CA LEU A 34 -0.240 -3.624 -5.747 1.00 0.00 C ATOM 549 C LEU A 34 1.154 -4.209 -5.549 1.00 0.00 C ATOM 550 O LEU A 34 1.536 -5.170 -6.216 1.00 0.00 O ATOM 551 CB LEU A 34 -0.152 -2.328 -6.555 1.00 0.00 C ATOM 552 CG LEU A 34 -1.449 -1.860 -7.216 1.00 0.00 C ATOM 553 CD1 LEU A 34 -1.289 -0.451 -7.767 1.00 0.00 C ATOM 554 CD2 LEU A 34 -1.863 -2.822 -8.321 1.00 0.00 C ATOM 0 H LEU A 34 -1.151 -2.403 -4.304 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.842 -4.348 -6.296 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.203 -1.536 -5.896 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.602 -2.458 -7.332 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.234 -1.846 -6.460 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.222 -0.135 -8.234 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.040 0.231 -6.954 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.490 -0.439 -8.508 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.788 -2.473 -8.780 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.078 -2.868 -9.076 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.020 -3.815 -7.899 1.00 0.00 H new ATOM 566 N TYR A 35 1.909 -3.624 -4.625 1.00 0.00 N ATOM 567 CA TYR A 35 3.262 -4.086 -4.339 1.00 0.00 C ATOM 568 C TYR A 35 3.238 -5.456 -3.668 1.00 0.00 C ATOM 569 O TYR A 35 4.104 -6.296 -3.915 1.00 0.00 O ATOM 570 CB TYR A 35 3.988 -3.081 -3.443 1.00 0.00 C ATOM 571 CG TYR A 35 5.338 -3.562 -2.962 1.00 0.00 C ATOM 572 CD1 TYR A 35 5.455 -4.314 -1.799 1.00 0.00 C ATOM 573 CD2 TYR A 35 6.496 -3.266 -3.669 1.00 0.00 C ATOM 574 CE1 TYR A 35 6.686 -4.755 -1.355 1.00 0.00 C ATOM 575 CE2 TYR A 35 7.731 -3.705 -3.234 1.00 0.00 C ATOM 576 CZ TYR A 35 7.821 -4.449 -2.076 1.00 0.00 C ATOM 577 OH TYR A 35 9.050 -4.887 -1.638 1.00 0.00 O ATOM 0 H TYR A 35 1.607 -2.829 -4.062 1.00 0.00 H new ATOM 0 HA TYR A 35 3.797 -4.173 -5.285 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.118 -2.147 -3.990 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.362 -2.859 -2.579 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.568 -4.558 -1.233 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.430 -2.682 -4.575 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.759 -5.336 -0.448 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.621 -3.467 -3.797 1.00 0.00 H new ATOM 0 HH TYR A 35 9.745 -4.587 -2.260 1.00 0.00 H new ATOM 587 N LEU A 36 2.241 -5.675 -2.819 1.00 0.00 N ATOM 588 CA LEU A 36 2.102 -6.943 -2.112 1.00 0.00 C ATOM 589 C LEU A 36 1.721 -8.064 -3.074 1.00 0.00 C ATOM 590 O LEU A 36 2.074 -9.223 -2.860 1.00 0.00 O ATOM 591 CB LEU A 36 1.049 -6.822 -1.008 1.00 0.00 C ATOM 592 CG LEU A 36 1.080 -7.904 0.071 1.00 0.00 C ATOM 593 CD1 LEU A 36 0.348 -7.436 1.319 1.00 0.00 C ATOM 594 CD2 LEU A 36 0.472 -9.198 -0.452 1.00 0.00 C ATOM 0 H LEU A 36 1.516 -4.991 -2.603 1.00 0.00 H new ATOM 0 HA LEU A 36 3.064 -7.187 -1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.168 -5.852 -0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.063 -6.828 -1.472 1.00 0.00 H new ATOM 0 HG LEU A 36 2.120 -8.095 0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.381 -8.220 2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.828 -6.537 1.707 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.690 -7.215 1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.503 -9.957 0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.563 -9.021 -0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.040 -9.544 -1.316 1.00 0.00 H new ATOM 606 N GLN A 37 0.999 -7.708 -4.132 1.00 0.00 N ATOM 607 CA GLN A 37 0.572 -8.685 -5.126 1.00 0.00 C ATOM 608 C GLN A 37 1.753 -9.515 -5.617 1.00 0.00 C ATOM 609 O GLN A 37 1.612 -10.703 -5.907 1.00 0.00 O ATOM 610 CB GLN A 37 -0.098 -7.981 -6.308 1.00 0.00 C ATOM 611 CG GLN A 37 -1.412 -8.616 -6.731 1.00 0.00 C ATOM 612 CD GLN A 37 -2.408 -8.707 -5.592 1.00 0.00 C ATOM 613 OE1 GLN A 37 -3.220 -7.668 -5.430 1.00 0.00 O flip ATOM 614 NE2 GLN A 37 -2.449 -9.701 -4.865 1.00 0.00 N flip ATOM 0 H GLN A 37 0.698 -6.752 -4.322 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.147 -9.355 -4.655 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.276 -6.938 -6.045 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.586 -7.983 -7.156 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.847 -8.035 -7.544 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.219 -9.615 -7.121 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.806 -10.477 -5.025 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.126 -9.748 -4.103 1.00 0.00 H new ATOM 623 N HIS A 38 2.918 -8.882 -5.709 1.00 0.00 N ATOM 624 CA HIS A 38 4.125 -9.562 -6.164 1.00 0.00 C ATOM 625 C HIS A 38 4.526 -10.667 -5.190 1.00 0.00 C ATOM 626 O HIS A 38 4.700 -11.820 -5.584 1.00 0.00 O ATOM 627 CB HIS A 38 5.272 -8.563 -6.320 1.00 0.00 C ATOM 628 CG HIS A 38 5.354 -7.955 -7.687 1.00 0.00 C ATOM 629 ND1 HIS A 38 4.299 -7.296 -8.282 1.00 0.00 N ATOM 630 CD2 HIS A 38 6.375 -7.907 -8.574 1.00 0.00 C ATOM 631 CE1 HIS A 38 4.666 -6.871 -9.478 1.00 0.00 C ATOM 632 NE2 HIS A 38 5.923 -7.229 -9.679 1.00 0.00 N ATOM 0 H HIS A 38 3.052 -7.898 -5.474 1.00 0.00 H new ATOM 0 HA HIS A 38 3.914 -10.014 -7.133 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.153 -7.768 -5.584 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.213 -9.065 -6.097 1.00 0.00 H new ATOM 0 HD2 HIS A 38 7.362 -8.324 -8.438 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.045 -6.325 -10.173 1.00 0.00 H new ATOM 0 HE2 HIS A 38 6.468 -7.033 -10.519 1.00 0.00 H new ATOM 640 N GLN A 39 4.672 -10.305 -3.920 1.00 0.00 N ATOM 641 CA GLN A 39 5.053 -11.266 -2.892 1.00 0.00 C ATOM 642 C GLN A 39 4.074 -12.434 -2.848 1.00 0.00 C ATOM 643 O GLN A 39 4.469 -13.583 -2.643 1.00 0.00 O ATOM 644 CB GLN A 39 5.114 -10.583 -1.524 1.00 0.00 C ATOM 645 CG GLN A 39 6.077 -9.409 -1.473 1.00 0.00 C ATOM 646 CD GLN A 39 7.529 -9.843 -1.496 1.00 0.00 C ATOM 647 OE1 GLN A 39 7.997 -10.536 -0.592 1.00 0.00 O ATOM 648 NE2 GLN A 39 8.253 -9.437 -2.532 1.00 0.00 N ATOM 0 H GLN A 39 4.532 -9.354 -3.578 1.00 0.00 H new ATOM 0 HA GLN A 39 6.041 -11.654 -3.141 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.116 -10.236 -1.256 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.409 -11.317 -0.774 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.885 -8.750 -2.320 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.889 -8.829 -0.569 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.826 -8.864 -3.259 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.237 -9.698 -2.601 1.00 0.00 H new ATOM 657 N LEU A 40 2.794 -12.134 -3.039 1.00 0.00 N ATOM 658 CA LEU A 40 1.756 -13.159 -3.022 1.00 0.00 C ATOM 659 C LEU A 40 1.938 -14.139 -4.176 1.00 0.00 C ATOM 660 O LEU A 40 1.981 -15.353 -3.972 1.00 0.00 O ATOM 661 CB LEU A 40 0.372 -12.513 -3.099 1.00 0.00 C ATOM 662 CG LEU A 40 -0.816 -13.475 -3.139 1.00 0.00 C ATOM 663 CD1 LEU A 40 -1.084 -13.933 -4.565 1.00 0.00 C ATOM 664 CD2 LEU A 40 -0.565 -14.671 -2.232 1.00 0.00 C ATOM 0 H LEU A 40 2.450 -11.189 -3.208 1.00 0.00 H new ATOM 0 HA LEU A 40 1.841 -13.711 -2.086 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.252 -11.855 -2.239 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.335 -11.885 -3.989 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.698 -12.948 -2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.933 -14.617 -4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.308 -13.068 -5.189 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.203 -14.443 -4.955 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.421 -15.345 -2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.329 -15.199 -2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.423 -14.327 -1.207 1.00 0.00 H new ATOM 676 N ASP A 41 2.048 -13.604 -5.387 1.00 0.00 N ATOM 677 CA ASP A 41 2.229 -14.431 -6.574 1.00 0.00 C ATOM 678 C ASP A 41 3.423 -15.366 -6.408 1.00 0.00 C ATOM 679 O ASP A 41 3.325 -16.565 -6.666 1.00 0.00 O ATOM 680 CB ASP A 41 2.422 -13.551 -7.810 1.00 0.00 C ATOM 681 CG ASP A 41 2.180 -14.306 -9.102 1.00 0.00 C ATOM 682 OD1 ASP A 41 1.434 -15.307 -9.074 1.00 0.00 O ATOM 683 OD2 ASP A 41 2.735 -13.895 -10.142 1.00 0.00 O ATOM 0 H ASP A 41 2.015 -12.602 -5.572 1.00 0.00 H new ATOM 0 HA ASP A 41 1.332 -15.036 -6.705 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.742 -12.701 -7.757 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.435 -13.149 -7.812 1.00 0.00 H new ATOM 688 N GLU A 42 4.550 -14.807 -5.978 1.00 0.00 N ATOM 689 CA GLU A 42 5.763 -15.591 -5.780 1.00 0.00 C ATOM 690 C GLU A 42 5.617 -16.528 -4.585 1.00 0.00 C ATOM 691 O GLU A 42 6.236 -17.592 -4.536 1.00 0.00 O ATOM 692 CB GLU A 42 6.966 -14.667 -5.573 1.00 0.00 C ATOM 693 CG GLU A 42 6.890 -13.845 -4.298 1.00 0.00 C ATOM 694 CD GLU A 42 8.081 -12.924 -4.126 1.00 0.00 C ATOM 695 OE1 GLU A 42 8.352 -12.125 -5.046 1.00 0.00 O ATOM 696 OE2 GLU A 42 8.744 -13.003 -3.069 1.00 0.00 O ATOM 0 H GLU A 42 4.648 -13.815 -5.760 1.00 0.00 H new ATOM 0 HA GLU A 42 5.925 -16.193 -6.674 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.876 -15.267 -5.554 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.046 -13.993 -6.426 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.975 -13.252 -4.306 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.827 -14.516 -3.441 1.00 0.00 H new ATOM 703 N LEU A 43 4.795 -16.126 -3.622 1.00 0.00 N ATOM 704 CA LEU A 43 4.567 -16.928 -2.426 1.00 0.00 C ATOM 705 C LEU A 43 3.831 -18.220 -2.770 1.00 0.00 C ATOM 706 O LEU A 43 4.110 -19.274 -2.200 1.00 0.00 O ATOM 707 CB LEU A 43 3.764 -16.129 -1.398 1.00 0.00 C ATOM 708 CG LEU A 43 2.937 -16.950 -0.407 1.00 0.00 C ATOM 709 CD1 LEU A 43 2.862 -16.244 0.939 1.00 0.00 C ATOM 710 CD2 LEU A 43 1.540 -17.202 -0.958 1.00 0.00 C ATOM 0 H LEU A 43 4.275 -15.249 -3.646 1.00 0.00 H new ATOM 0 HA LEU A 43 5.537 -17.185 -2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.455 -15.504 -0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.092 -15.458 -1.933 1.00 0.00 H new ATOM 0 HG LEU A 43 3.428 -17.912 -0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.270 -16.843 1.631 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.868 -16.116 1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.395 -15.268 0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.966 -17.787 -0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.040 -16.249 -1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.613 -17.750 -1.897 1.00 0.00 H new ATOM 722 N ASN A 44 2.892 -18.130 -3.706 1.00 0.00 N ATOM 723 CA ASN A 44 2.118 -19.291 -4.126 1.00 0.00 C ATOM 724 C ASN A 44 3.037 -20.448 -4.507 1.00 0.00 C ATOM 725 O ASN A 44 2.763 -21.603 -4.184 1.00 0.00 O ATOM 726 CB ASN A 44 1.217 -18.930 -5.309 1.00 0.00 C ATOM 727 CG ASN A 44 -0.194 -18.579 -4.876 1.00 0.00 C ATOM 728 OD1 ASN A 44 -1.068 -19.443 -4.813 1.00 0.00 O ATOM 729 ND2 ASN A 44 -0.421 -17.306 -4.574 1.00 0.00 N ATOM 0 H ASN A 44 2.649 -17.264 -4.188 1.00 0.00 H new ATOM 0 HA ASN A 44 1.496 -19.604 -3.287 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.649 -18.086 -5.847 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.183 -19.768 -6.005 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.350 -17.011 -4.275 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.334 -16.624 -4.641 1.00 0.00 H new ATOM 736 N GLU A 45 4.127 -20.128 -5.196 1.00 0.00 N ATOM 737 CA GLU A 45 5.086 -21.141 -5.622 1.00 0.00 C ATOM 738 C GLU A 45 6.166 -21.346 -4.564 1.00 0.00 C ATOM 739 O GLU A 45 6.484 -22.477 -4.198 1.00 0.00 O ATOM 740 CB GLU A 45 5.728 -20.741 -6.952 1.00 0.00 C ATOM 741 CG GLU A 45 4.720 -20.446 -8.051 1.00 0.00 C ATOM 742 CD GLU A 45 3.939 -21.676 -8.470 1.00 0.00 C ATOM 743 OE1 GLU A 45 4.576 -22.694 -8.815 1.00 0.00 O ATOM 744 OE2 GLU A 45 2.692 -21.621 -8.456 1.00 0.00 O ATOM 0 H GLU A 45 4.368 -19.176 -5.471 1.00 0.00 H new ATOM 0 HA GLU A 45 4.549 -22.080 -5.755 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.350 -19.860 -6.795 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.389 -21.543 -7.282 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.026 -19.679 -7.706 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.241 -20.038 -8.917 1.00 0.00 H new ATOM 751 N ASN A 46 6.726 -20.244 -4.078 1.00 0.00 N ATOM 752 CA ASN A 46 7.772 -20.302 -3.062 1.00 0.00 C ATOM 753 C ASN A 46 7.333 -21.158 -1.878 1.00 0.00 C ATOM 754 O ASN A 46 8.135 -21.882 -1.289 1.00 0.00 O ATOM 755 CB ASN A 46 8.127 -18.893 -2.585 1.00 0.00 C ATOM 756 CG ASN A 46 9.016 -18.155 -3.569 1.00 0.00 C ATOM 757 OD1 ASN A 46 9.543 -18.748 -4.509 1.00 0.00 O ATOM 758 ND2 ASN A 46 9.184 -16.856 -3.355 1.00 0.00 N ATOM 0 H ASN A 46 6.474 -19.300 -4.370 1.00 0.00 H new ATOM 0 HA ASN A 46 8.655 -20.759 -3.510 1.00 0.00 H new ATOM 0 HB2 ASN A 46 7.211 -18.323 -2.430 1.00 0.00 H new ATOM 0 HB3 ASN A 46 8.631 -18.955 -1.620 1.00 0.00 H new ATOM 0 HD21 ASN A 46 9.770 -16.307 -3.984 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.727 -16.406 -2.562 1.00 0.00 H new ATOM 765 N LYS A 47 6.052 -21.069 -1.533 1.00 0.00 N ATOM 766 CA LYS A 47 5.504 -21.835 -0.421 1.00 0.00 C ATOM 767 C LYS A 47 6.376 -21.688 0.822 1.00 0.00 C ATOM 768 O LYS A 47 6.496 -22.617 1.621 1.00 0.00 O ATOM 769 CB LYS A 47 5.384 -23.313 -0.801 1.00 0.00 C ATOM 770 CG LYS A 47 4.111 -23.969 -0.297 1.00 0.00 C ATOM 771 CD LYS A 47 2.921 -23.628 -1.179 1.00 0.00 C ATOM 772 CE LYS A 47 2.951 -24.409 -2.483 1.00 0.00 C ATOM 773 NZ LYS A 47 2.542 -25.828 -2.290 1.00 0.00 N ATOM 0 H LYS A 47 5.374 -20.473 -2.009 1.00 0.00 H new ATOM 0 HA LYS A 47 4.512 -21.443 -0.197 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.425 -23.405 -1.886 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.243 -23.853 -0.403 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.245 -25.050 -0.267 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.913 -23.644 0.724 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.996 -23.846 -0.644 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.921 -22.559 -1.394 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.287 -23.935 -3.206 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.956 -24.375 -2.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.494 -26.304 -3.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.238 -26.311 -1.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.608 -25.861 -1.834 1.00 0.00 H new ATOM 787 N SER A 48 6.980 -20.515 0.981 1.00 0.00 N ATOM 788 CA SER A 48 7.843 -20.248 2.126 1.00 0.00 C ATOM 789 C SER A 48 7.015 -20.005 3.384 1.00 0.00 C ATOM 790 O SER A 48 6.133 -19.147 3.406 1.00 0.00 O ATOM 791 CB SER A 48 8.735 -19.037 1.848 1.00 0.00 C ATOM 792 OG SER A 48 9.330 -18.557 3.040 1.00 0.00 O ATOM 0 H SER A 48 6.888 -19.734 0.331 1.00 0.00 H new ATOM 0 HA SER A 48 8.472 -21.124 2.288 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.512 -19.310 1.135 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.145 -18.245 1.388 1.00 0.00 H new ATOM 0 HG SER A 48 9.896 -17.784 2.835 1.00 0.00 H new ATOM 798 N LYS A 49 7.306 -20.768 4.432 1.00 0.00 N ATOM 799 CA LYS A 49 6.591 -20.638 5.696 1.00 0.00 C ATOM 800 C LYS A 49 6.814 -19.258 6.307 1.00 0.00 C ATOM 801 O LYS A 49 5.937 -18.720 6.982 1.00 0.00 O ATOM 802 CB LYS A 49 7.046 -21.721 6.677 1.00 0.00 C ATOM 803 CG LYS A 49 8.555 -21.830 6.807 1.00 0.00 C ATOM 804 CD LYS A 49 9.052 -23.207 6.398 1.00 0.00 C ATOM 805 CE LYS A 49 10.338 -23.117 5.591 1.00 0.00 C ATOM 806 NZ LYS A 49 10.863 -24.465 5.235 1.00 0.00 N ATOM 0 H LYS A 49 8.033 -21.484 4.431 1.00 0.00 H new ATOM 0 HA LYS A 49 5.526 -20.761 5.497 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.620 -21.513 7.658 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.647 -22.683 6.354 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.030 -21.071 6.185 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.848 -21.628 7.837 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.221 -23.813 7.288 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.286 -23.712 5.809 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.157 -22.545 4.681 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.090 -22.574 6.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.740 -24.362 4.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.060 -25.001 6.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.156 -24.974 4.667 1.00 0.00 H new ATOM 820 N GLU A 50 7.992 -18.691 6.065 1.00 0.00 N ATOM 821 CA GLU A 50 8.329 -17.374 6.591 1.00 0.00 C ATOM 822 C GLU A 50 7.647 -16.274 5.782 1.00 0.00 C ATOM 823 O GLU A 50 7.067 -15.344 6.343 1.00 0.00 O ATOM 824 CB GLU A 50 9.845 -17.167 6.578 1.00 0.00 C ATOM 825 CG GLU A 50 10.544 -17.713 7.811 1.00 0.00 C ATOM 826 CD GLU A 50 12.053 -17.721 7.670 1.00 0.00 C ATOM 827 OE1 GLU A 50 12.548 -18.114 6.592 1.00 0.00 O ATOM 828 OE2 GLU A 50 12.742 -17.335 8.638 1.00 0.00 O ATOM 0 H GLU A 50 8.729 -19.124 5.508 1.00 0.00 H new ATOM 0 HA GLU A 50 7.971 -17.320 7.619 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.261 -17.647 5.692 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.057 -16.101 6.492 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.267 -17.112 8.677 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.195 -18.728 8.002 1.00 0.00 H new ATOM 835 N LEU A 51 7.722 -16.388 4.460 1.00 0.00 N ATOM 836 CA LEU A 51 7.113 -15.403 3.573 1.00 0.00 C ATOM 837 C LEU A 51 5.607 -15.320 3.803 1.00 0.00 C ATOM 838 O LEU A 51 5.033 -14.232 3.820 1.00 0.00 O ATOM 839 CB LEU A 51 7.398 -15.759 2.113 1.00 0.00 C ATOM 840 CG LEU A 51 6.980 -14.718 1.074 1.00 0.00 C ATOM 841 CD1 LEU A 51 7.671 -13.389 1.341 1.00 0.00 C ATOM 842 CD2 LEU A 51 7.293 -15.211 -0.331 1.00 0.00 C ATOM 0 H LEU A 51 8.198 -17.152 3.980 1.00 0.00 H new ATOM 0 HA LEU A 51 7.550 -14.430 3.796 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.468 -15.940 2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.891 -16.696 1.883 1.00 0.00 H new ATOM 0 HG LEU A 51 5.903 -14.566 1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.361 -12.661 0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.396 -13.029 2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.751 -13.524 1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.989 -14.457 -1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.364 -15.392 -0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.751 -16.137 -0.521 1.00 0.00 H new ATOM 854 N GLN A 52 4.976 -16.476 3.980 1.00 0.00 N ATOM 855 CA GLN A 52 3.538 -16.532 4.211 1.00 0.00 C ATOM 856 C GLN A 52 3.191 -16.035 5.611 1.00 0.00 C ATOM 857 O GLN A 52 2.239 -15.277 5.792 1.00 0.00 O ATOM 858 CB GLN A 52 3.026 -17.961 4.023 1.00 0.00 C ATOM 859 CG GLN A 52 3.689 -18.972 4.946 1.00 0.00 C ATOM 860 CD GLN A 52 2.910 -19.192 6.227 1.00 0.00 C ATOM 861 OE1 GLN A 52 1.788 -18.706 6.377 1.00 0.00 O ATOM 862 NE2 GLN A 52 3.499 -19.930 7.160 1.00 0.00 N ATOM 0 H GLN A 52 5.438 -17.386 3.968 1.00 0.00 H new ATOM 0 HA GLN A 52 3.053 -15.881 3.484 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.949 -17.978 4.193 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.190 -18.264 2.989 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.795 -19.922 4.422 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.694 -18.630 5.191 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.430 -20.314 6.995 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.021 -20.114 8.042 1.00 0.00 H new ATOM 871 N GLU A 53 3.970 -16.468 6.597 1.00 0.00 N ATOM 872 CA GLU A 53 3.743 -16.068 7.981 1.00 0.00 C ATOM 873 C GLU A 53 3.831 -14.551 8.129 1.00 0.00 C ATOM 874 O GLU A 53 3.092 -13.948 8.907 1.00 0.00 O ATOM 875 CB GLU A 53 4.760 -16.741 8.903 1.00 0.00 C ATOM 876 CG GLU A 53 4.294 -18.081 9.448 1.00 0.00 C ATOM 877 CD GLU A 53 4.283 -18.124 10.963 1.00 0.00 C ATOM 878 OE1 GLU A 53 3.901 -17.110 11.582 1.00 0.00 O ATOM 879 OE2 GLU A 53 4.658 -19.173 11.530 1.00 0.00 O ATOM 0 H GLU A 53 4.763 -17.095 6.464 1.00 0.00 H new ATOM 0 HA GLU A 53 2.740 -16.387 8.265 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.693 -16.885 8.358 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.978 -16.075 9.738 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.292 -18.291 9.075 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.946 -18.869 9.071 1.00 0.00 H new ATOM 886 N LYS A 54 4.741 -13.941 7.377 1.00 0.00 N ATOM 887 CA LYS A 54 4.928 -12.496 7.423 1.00 0.00 C ATOM 888 C LYS A 54 3.804 -11.779 6.683 1.00 0.00 C ATOM 889 O LYS A 54 3.166 -10.877 7.227 1.00 0.00 O ATOM 890 CB LYS A 54 6.279 -12.116 6.813 1.00 0.00 C ATOM 891 CG LYS A 54 7.469 -12.654 7.588 1.00 0.00 C ATOM 892 CD LYS A 54 7.873 -11.715 8.712 1.00 0.00 C ATOM 893 CE LYS A 54 8.621 -10.500 8.183 1.00 0.00 C ATOM 894 NZ LYS A 54 9.918 -10.878 7.557 1.00 0.00 N ATOM 0 H LYS A 54 5.361 -14.426 6.728 1.00 0.00 H new ATOM 0 HA LYS A 54 4.908 -12.185 8.467 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.324 -12.489 5.790 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.352 -11.030 6.760 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.223 -13.632 8.001 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.311 -12.796 6.911 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.984 -11.389 9.252 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.502 -12.249 9.425 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.001 -9.982 7.451 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.802 -9.801 8.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.540 -10.046 7.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.372 -11.623 8.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.749 -11.230 6.593 1.00 0.00 H new ATOM 908 N ILE A 55 3.566 -12.186 5.440 1.00 0.00 N ATOM 909 CA ILE A 55 2.517 -11.583 4.627 1.00 0.00 C ATOM 910 C ILE A 55 1.185 -11.574 5.367 1.00 0.00 C ATOM 911 O ILE A 55 0.437 -10.596 5.309 1.00 0.00 O ATOM 912 CB ILE A 55 2.344 -12.328 3.290 1.00 0.00 C ATOM 913 CG1 ILE A 55 3.576 -12.128 2.405 1.00 0.00 C ATOM 914 CG2 ILE A 55 1.089 -11.849 2.575 1.00 0.00 C ATOM 915 CD1 ILE A 55 3.714 -13.170 1.317 1.00 0.00 C ATOM 0 H ILE A 55 4.085 -12.930 4.975 1.00 0.00 H new ATOM 0 HA ILE A 55 2.824 -10.557 4.425 1.00 0.00 H new ATOM 0 HB ILE A 55 2.238 -13.393 3.497 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.528 -11.140 1.947 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.469 -12.146 3.030 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.981 -12.385 1.632 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.218 -12.039 3.202 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.168 -10.780 2.378 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.609 -12.966 0.729 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.794 -14.159 1.768 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.838 -13.137 0.669 1.00 0.00 H new ATOM 927 N ILE A 56 0.893 -12.667 6.065 1.00 0.00 N ATOM 928 CA ILE A 56 -0.347 -12.783 6.820 1.00 0.00 C ATOM 929 C ILE A 56 -0.462 -11.676 7.863 1.00 0.00 C ATOM 930 O ILE A 56 -1.517 -11.063 8.019 1.00 0.00 O ATOM 931 CB ILE A 56 -0.453 -14.149 7.523 1.00 0.00 C ATOM 932 CG1 ILE A 56 -0.592 -15.269 6.490 1.00 0.00 C ATOM 933 CG2 ILE A 56 -1.632 -14.160 8.485 1.00 0.00 C ATOM 934 CD1 ILE A 56 -0.099 -16.611 6.984 1.00 0.00 C ATOM 0 H ILE A 56 1.500 -13.485 6.123 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.162 -12.689 6.103 1.00 0.00 H new ATOM 0 HB ILE A 56 0.459 -14.318 8.095 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.640 -15.359 6.203 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.038 -14.995 5.592 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.694 -15.132 8.974 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.495 -13.383 9.237 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.553 -13.972 7.934 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.228 -17.357 6.200 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.957 -16.537 7.244 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.670 -16.907 7.864 1.00 0.00 H new ATOM 946 N ARG A 57 0.633 -11.426 8.574 1.00 0.00 N ATOM 947 CA ARG A 57 0.656 -10.393 9.602 1.00 0.00 C ATOM 948 C ARG A 57 0.453 -9.011 8.990 1.00 0.00 C ATOM 949 O ARG A 57 -0.417 -8.253 9.418 1.00 0.00 O ATOM 950 CB ARG A 57 1.980 -10.434 10.367 1.00 0.00 C ATOM 951 CG ARG A 57 1.898 -11.183 11.688 1.00 0.00 C ATOM 952 CD ARG A 57 1.912 -12.688 11.476 1.00 0.00 C ATOM 953 NE ARG A 57 1.422 -13.409 12.648 1.00 0.00 N ATOM 954 CZ ARG A 57 2.120 -13.548 13.770 1.00 0.00 C ATOM 955 NH1 ARG A 57 3.330 -13.017 13.872 1.00 0.00 N ATOM 956 NH2 ARG A 57 1.606 -14.219 14.793 1.00 0.00 N ATOM 0 H ARG A 57 1.515 -11.925 8.457 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.163 -10.588 10.295 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.738 -10.903 9.740 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.311 -9.413 10.558 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.736 -10.896 12.323 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.987 -10.897 12.214 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.296 -12.938 10.612 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.927 -13.013 11.248 1.00 0.00 H new ATOM 0 HE ARG A 57 0.493 -13.829 12.603 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.728 -12.500 13.088 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.863 -13.125 14.735 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.675 -14.628 14.718 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.142 -14.325 15.654 1.00 0.00 H new ATOM 970 N GLU A 58 1.263 -8.689 7.986 1.00 0.00 N ATOM 971 CA GLU A 58 1.173 -7.397 7.315 1.00 0.00 C ATOM 972 C GLU A 58 -0.215 -7.193 6.713 1.00 0.00 C ATOM 973 O GLU A 58 -0.846 -6.156 6.918 1.00 0.00 O ATOM 974 CB GLU A 58 2.236 -7.290 6.220 1.00 0.00 C ATOM 975 CG GLU A 58 2.958 -5.953 6.202 1.00 0.00 C ATOM 976 CD GLU A 58 4.352 -6.051 5.615 1.00 0.00 C ATOM 977 OE1 GLU A 58 4.477 -6.014 4.373 1.00 0.00 O ATOM 978 OE2 GLU A 58 5.320 -6.164 6.397 1.00 0.00 O ATOM 0 H GLU A 58 1.989 -9.305 7.619 1.00 0.00 H new ATOM 0 HA GLU A 58 1.347 -6.618 8.057 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.967 -8.087 6.356 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.765 -7.452 5.251 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.374 -5.237 5.624 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.022 -5.565 7.219 1.00 0.00 H new ATOM 985 N LEU A 59 -0.683 -8.189 5.969 1.00 0.00 N ATOM 986 CA LEU A 59 -1.995 -8.120 5.335 1.00 0.00 C ATOM 987 C LEU A 59 -3.103 -8.061 6.383 1.00 0.00 C ATOM 988 O LEU A 59 -4.153 -7.461 6.156 1.00 0.00 O ATOM 989 CB LEU A 59 -2.206 -9.327 4.420 1.00 0.00 C ATOM 990 CG LEU A 59 -3.094 -9.095 3.198 1.00 0.00 C ATOM 991 CD1 LEU A 59 -3.043 -10.297 2.266 1.00 0.00 C ATOM 992 CD2 LEU A 59 -4.526 -8.809 3.625 1.00 0.00 C ATOM 0 H LEU A 59 -0.173 -9.054 5.790 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.035 -7.209 4.738 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.231 -9.671 4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.639 -10.134 5.011 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.717 -8.226 2.659 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.681 -10.114 1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.017 -10.456 1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.394 -11.183 2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.144 -8.646 2.742 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.914 -9.658 4.188 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.548 -7.918 4.252 1.00 0.00 H new ATOM 1004 N ASP A 60 -2.859 -8.685 7.530 1.00 0.00 N ATOM 1005 CA ASP A 60 -3.834 -8.701 8.614 1.00 0.00 C ATOM 1006 C ASP A 60 -4.043 -7.299 9.178 1.00 0.00 C ATOM 1007 O ASP A 60 -5.168 -6.804 9.240 1.00 0.00 O ATOM 1008 CB ASP A 60 -3.379 -9.649 9.724 1.00 0.00 C ATOM 1009 CG ASP A 60 -4.297 -9.611 10.930 1.00 0.00 C ATOM 1010 OD1 ASP A 60 -5.492 -9.943 10.777 1.00 0.00 O ATOM 1011 OD2 ASP A 60 -3.821 -9.253 12.027 1.00 0.00 O ATOM 0 H ASP A 60 -1.994 -9.186 7.733 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.783 -9.056 8.211 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.337 -10.666 9.335 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.368 -9.384 10.032 1.00 0.00 H new ATOM 1016 N VAL A 61 -2.950 -6.664 9.590 1.00 0.00 N ATOM 1017 CA VAL A 61 -3.013 -5.319 10.150 1.00 0.00 C ATOM 1018 C VAL A 61 -3.519 -4.317 9.117 1.00 0.00 C ATOM 1019 O VAL A 61 -4.304 -3.424 9.435 1.00 0.00 O ATOM 1020 CB VAL A 61 -1.635 -4.860 10.662 1.00 0.00 C ATOM 1021 CG1 VAL A 61 -1.221 -5.671 11.879 1.00 0.00 C ATOM 1022 CG2 VAL A 61 -0.594 -4.967 9.559 1.00 0.00 C ATOM 0 H VAL A 61 -2.011 -7.059 9.546 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.710 -5.356 10.987 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.707 -3.814 10.960 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.245 -5.333 12.227 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.956 -5.537 12.673 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.165 -6.726 11.611 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.373 -4.639 9.939 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.521 -6.003 9.227 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.887 -4.337 8.720 1.00 0.00 H new ATOM 1032 N VAL A 62 -3.064 -4.473 7.877 1.00 0.00 N ATOM 1033 CA VAL A 62 -3.472 -3.584 6.796 1.00 0.00 C ATOM 1034 C VAL A 62 -4.949 -3.762 6.465 1.00 0.00 C ATOM 1035 O VAL A 62 -5.724 -2.805 6.503 1.00 0.00 O ATOM 1036 CB VAL A 62 -2.639 -3.829 5.524 1.00 0.00 C ATOM 1037 CG1 VAL A 62 -3.166 -2.988 4.371 1.00 0.00 C ATOM 1038 CG2 VAL A 62 -1.170 -3.530 5.784 1.00 0.00 C ATOM 0 H VAL A 62 -2.413 -5.207 7.597 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.301 -2.565 7.143 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.729 -4.880 5.248 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.565 -3.174 3.481 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.204 -3.255 4.171 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.107 -1.932 4.634 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.596 -3.708 4.875 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.058 -2.488 6.085 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.802 -4.179 6.579 1.00 0.00 H new ATOM 1048 N CYS A 63 -5.333 -4.992 6.142 1.00 0.00 N ATOM 1049 CA CYS A 63 -6.718 -5.297 5.804 1.00 0.00 C ATOM 1050 C CYS A 63 -7.648 -4.964 6.967 1.00 0.00 C ATOM 1051 O CYS A 63 -8.822 -4.654 6.767 1.00 0.00 O ATOM 1052 CB CYS A 63 -6.861 -6.773 5.428 1.00 0.00 C ATOM 1053 SG CYS A 63 -8.567 -7.301 5.147 1.00 0.00 S ATOM 0 H CYS A 63 -4.704 -5.794 6.107 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.000 -4.683 4.949 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -6.279 -6.965 4.526 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.429 -7.383 6.222 1.00 0.00 H new ATOM 0 HG CYS A 63 -8.573 -8.496 4.636 1.00 0.00 H new ATOM 1059 N ALA A 64 -7.114 -5.031 8.182 1.00 0.00 N ATOM 1060 CA ALA A 64 -7.896 -4.737 9.376 1.00 0.00 C ATOM 1061 C ALA A 64 -8.206 -3.247 9.476 1.00 0.00 C ATOM 1062 O ALA A 64 -9.369 -2.849 9.531 1.00 0.00 O ATOM 1063 CB ALA A 64 -7.156 -5.209 10.620 1.00 0.00 C ATOM 0 H ALA A 64 -6.144 -5.286 8.365 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.842 -5.274 9.303 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.751 -4.983 11.505 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.990 -6.285 10.559 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.196 -4.697 10.688 1.00 0.00 H new ATOM 1069 N MET A 65 -7.158 -2.430 9.501 1.00 0.00 N ATOM 1070 CA MET A 65 -7.320 -0.983 9.593 1.00 0.00 C ATOM 1071 C MET A 65 -8.078 -0.443 8.385 1.00 0.00 C ATOM 1072 O MET A 65 -8.831 0.525 8.496 1.00 0.00 O ATOM 1073 CB MET A 65 -5.955 -0.302 9.701 1.00 0.00 C ATOM 1074 CG MET A 65 -5.207 -0.226 8.379 1.00 0.00 C ATOM 1075 SD MET A 65 -3.595 0.564 8.537 1.00 0.00 S ATOM 1076 CE MET A 65 -2.642 -0.757 9.284 1.00 0.00 C ATOM 0 H MET A 65 -6.189 -2.744 9.459 1.00 0.00 H new ATOM 0 HA MET A 65 -7.899 -0.763 10.490 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.091 0.707 10.090 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.344 -0.843 10.424 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.076 -1.233 7.982 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.809 0.326 7.657 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.837 -0.331 9.882 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.290 -1.357 9.923 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.219 -1.387 8.502 1.00 0.00 H new ATOM 1086 N ILE A 66 -7.873 -1.072 7.234 1.00 0.00 N ATOM 1087 CA ILE A 66 -8.538 -0.654 6.006 1.00 0.00 C ATOM 1088 C ILE A 66 -10.019 -1.015 6.032 1.00 0.00 C ATOM 1089 O ILE A 66 -10.874 -0.192 5.707 1.00 0.00 O ATOM 1090 CB ILE A 66 -7.887 -1.295 4.766 1.00 0.00 C ATOM 1091 CG1 ILE A 66 -6.873 -0.335 4.142 1.00 0.00 C ATOM 1092 CG2 ILE A 66 -8.950 -1.685 3.751 1.00 0.00 C ATOM 1093 CD1 ILE A 66 -5.809 0.136 5.109 1.00 0.00 C ATOM 0 H ILE A 66 -7.251 -1.873 7.125 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.431 0.429 5.943 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.361 -2.198 5.076 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.392 -0.827 3.297 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.402 0.532 3.747 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.474 -2.137 2.881 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.637 -2.401 4.201 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.502 -0.797 3.443 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.126 0.813 4.597 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.280 0.657 5.942 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.254 -0.723 5.486 1.00 0.00 H new ATOM 1105 N GLU A 67 -10.315 -2.251 6.424 1.00 0.00 N ATOM 1106 CA GLU A 67 -11.694 -2.720 6.494 1.00 0.00 C ATOM 1107 C GLU A 67 -12.515 -1.856 7.448 1.00 0.00 C ATOM 1108 O GLU A 67 -13.608 -1.405 7.110 1.00 0.00 O ATOM 1109 CB GLU A 67 -11.736 -4.181 6.946 1.00 0.00 C ATOM 1110 CG GLU A 67 -11.608 -5.175 5.804 1.00 0.00 C ATOM 1111 CD GLU A 67 -12.943 -5.511 5.169 1.00 0.00 C ATOM 1112 OE1 GLU A 67 -13.944 -4.844 5.506 1.00 0.00 O ATOM 1113 OE2 GLU A 67 -12.986 -6.440 4.336 1.00 0.00 O ATOM 0 H GLU A 67 -9.619 -2.945 6.698 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.129 -2.643 5.497 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.931 -4.355 7.660 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.673 -4.363 7.472 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.942 -4.766 5.045 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.146 -6.090 6.174 1.00 0.00 H new ATOM 1120 N GLY A 68 -11.978 -1.632 8.644 1.00 0.00 N ATOM 1121 CA GLY A 68 -12.673 -0.826 9.629 1.00 0.00 C ATOM 1122 C GLY A 68 -12.782 0.628 9.216 1.00 0.00 C ATOM 1123 O GLY A 68 -13.871 1.203 9.224 1.00 0.00 O ATOM 0 H GLY A 68 -11.074 -1.995 8.947 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.672 -1.232 9.786 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.149 -0.891 10.583 1.00 0.00 H new ATOM 1127 N ALA A 69 -11.651 1.225 8.855 1.00 0.00 N ATOM 1128 CA ALA A 69 -11.625 2.621 8.436 1.00 0.00 C ATOM 1129 C ALA A 69 -12.537 2.853 7.236 1.00 0.00 C ATOM 1130 O ALA A 69 -13.432 3.696 7.280 1.00 0.00 O ATOM 1131 CB ALA A 69 -10.201 3.047 8.108 1.00 0.00 C ATOM 0 H ALA A 69 -10.741 0.764 8.844 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.994 3.228 9.262 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.196 4.092 7.797 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.573 2.929 8.991 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.812 2.426 7.301 1.00 0.00 H new ATOM 1137 N GLN A 70 -12.303 2.099 6.167 1.00 0.00 N ATOM 1138 CA GLN A 70 -13.104 2.223 4.955 1.00 0.00 C ATOM 1139 C GLN A 70 -14.584 2.007 5.256 1.00 0.00 C ATOM 1140 O GLN A 70 -15.435 2.782 4.822 1.00 0.00 O ATOM 1141 CB GLN A 70 -12.634 1.218 3.903 1.00 0.00 C ATOM 1142 CG GLN A 70 -13.069 1.569 2.488 1.00 0.00 C ATOM 1143 CD GLN A 70 -13.560 0.364 1.712 1.00 0.00 C ATOM 1144 OE1 GLN A 70 -12.818 -0.231 0.930 1.00 0.00 O ATOM 1145 NE2 GLN A 70 -14.818 -0.006 1.925 1.00 0.00 N ATOM 0 H GLN A 70 -11.566 1.396 6.115 1.00 0.00 H new ATOM 0 HA GLN A 70 -12.975 3.233 4.566 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.546 1.154 3.934 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -13.019 0.231 4.158 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -13.861 2.316 2.531 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -12.232 2.022 1.957 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -15.399 0.515 2.582 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -15.203 -0.811 1.432 1.00 0.00 H new ATOM 1154 N GLY A 71 -14.883 0.948 6.002 1.00 0.00 N ATOM 1155 CA GLY A 71 -16.261 0.649 6.347 1.00 0.00 C ATOM 1156 C GLY A 71 -16.964 1.824 6.998 1.00 0.00 C ATOM 1157 O GLY A 71 -18.048 2.220 6.575 1.00 0.00 O ATOM 0 H GLY A 71 -14.196 0.292 6.374 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -16.803 0.359 5.447 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -16.286 -0.205 7.023 1.00 0.00 H new ATOM 1161 N ALA A 72 -16.343 2.383 8.034 1.00 0.00 N ATOM 1162 CA ALA A 72 -16.916 3.520 8.744 1.00 0.00 C ATOM 1163 C ALA A 72 -16.914 4.770 7.871 1.00 0.00 C ATOM 1164 O ALA A 72 -17.828 5.593 7.946 1.00 0.00 O ATOM 1165 CB ALA A 72 -16.152 3.774 10.035 1.00 0.00 C ATOM 0 H ALA A 72 -15.445 2.067 8.399 1.00 0.00 H new ATOM 0 HA ALA A 72 -17.951 3.281 8.988 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.590 4.626 10.555 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -16.209 2.891 10.672 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -15.108 3.988 9.804 1.00 0.00 H new ATOM 1171 N LEU A 73 -15.883 4.908 7.044 1.00 0.00 N ATOM 1172 CA LEU A 73 -15.763 6.059 6.157 1.00 0.00 C ATOM 1173 C LEU A 73 -16.941 6.128 5.191 1.00 0.00 C ATOM 1174 O LEU A 73 -17.609 7.157 5.086 1.00 0.00 O ATOM 1175 CB LEU A 73 -14.451 5.989 5.373 1.00 0.00 C ATOM 1176 CG LEU A 73 -13.368 6.987 5.787 1.00 0.00 C ATOM 1177 CD1 LEU A 73 -13.732 8.389 5.325 1.00 0.00 C ATOM 1178 CD2 LEU A 73 -13.160 6.955 7.294 1.00 0.00 C ATOM 0 H LEU A 73 -15.118 4.237 6.970 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.766 6.960 6.770 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -14.046 4.982 5.471 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.673 6.142 4.317 1.00 0.00 H new ATOM 0 HG LEU A 73 -12.432 6.700 5.307 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.951 9.086 5.628 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -13.828 8.401 4.239 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -14.679 8.686 5.776 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -12.386 7.671 7.570 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -14.092 7.216 7.796 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -12.853 5.954 7.598 1.00 0.00 H new ATOM 1190 N GLU A 74 -17.192 5.026 4.491 1.00 0.00 N ATOM 1191 CA GLU A 74 -18.291 4.963 3.535 1.00 0.00 C ATOM 1192 C GLU A 74 -19.638 5.035 4.250 1.00 0.00 C ATOM 1193 O GLU A 74 -20.532 5.775 3.838 1.00 0.00 O ATOM 1194 CB GLU A 74 -18.207 3.676 2.712 1.00 0.00 C ATOM 1195 CG GLU A 74 -16.990 3.613 1.804 1.00 0.00 C ATOM 1196 CD GLU A 74 -16.917 4.785 0.845 1.00 0.00 C ATOM 1197 OE1 GLU A 74 -17.980 5.350 0.514 1.00 0.00 O ATOM 1198 OE2 GLU A 74 -15.795 5.138 0.425 1.00 0.00 O ATOM 0 H GLU A 74 -16.650 4.166 4.568 1.00 0.00 H new ATOM 0 HA GLU A 74 -18.207 5.820 2.866 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -18.189 2.822 3.389 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -19.108 3.583 2.105 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.087 3.591 2.414 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.013 2.684 1.235 1.00 0.00 H new ATOM 1205 N ARG A 75 -19.775 4.262 5.321 1.00 0.00 N ATOM 1206 CA ARG A 75 -21.012 4.237 6.093 1.00 0.00 C ATOM 1207 C ARG A 75 -21.313 5.611 6.683 1.00 0.00 C ATOM 1208 O ARG A 75 -22.472 5.963 6.900 1.00 0.00 O ATOM 1209 CB ARG A 75 -20.919 3.198 7.211 1.00 0.00 C ATOM 1210 CG ARG A 75 -22.218 3.013 7.979 1.00 0.00 C ATOM 1211 CD ARG A 75 -23.149 2.041 7.272 1.00 0.00 C ATOM 1212 NE ARG A 75 -22.770 0.650 7.506 1.00 0.00 N ATOM 1213 CZ ARG A 75 -23.181 -0.361 6.749 1.00 0.00 C ATOM 1214 NH1 ARG A 75 -23.980 -0.138 5.716 1.00 0.00 N ATOM 1215 NH2 ARG A 75 -22.792 -1.600 7.026 1.00 0.00 N ATOM 0 H ARG A 75 -19.045 3.644 5.675 1.00 0.00 H new ATOM 0 HA ARG A 75 -21.825 3.965 5.420 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -20.620 2.241 6.783 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -20.134 3.494 7.907 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -22.000 2.646 8.982 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -22.715 3.976 8.093 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -24.170 2.201 7.618 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -23.139 2.244 6.201 1.00 0.00 H new ATOM 0 HE ARG A 75 -22.156 0.444 8.294 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -24.281 0.812 5.500 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -24.294 -0.917 5.137 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -22.177 -1.776 7.821 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -23.108 -2.376 6.444 1.00 0.00 H new ATOM 1229 N GLU A 76 -20.260 6.382 6.941 1.00 0.00 N ATOM 1230 CA GLU A 76 -20.413 7.717 7.508 1.00 0.00 C ATOM 1231 C GLU A 76 -20.850 8.715 6.440 1.00 0.00 C ATOM 1232 O GLU A 76 -21.855 9.409 6.597 1.00 0.00 O ATOM 1233 CB GLU A 76 -19.101 8.177 8.146 1.00 0.00 C ATOM 1234 CG GLU A 76 -19.139 9.610 8.652 1.00 0.00 C ATOM 1235 CD GLU A 76 -18.062 9.895 9.680 1.00 0.00 C ATOM 1236 OE1 GLU A 76 -17.019 9.208 9.653 1.00 0.00 O ATOM 1237 OE2 GLU A 76 -18.263 10.803 10.512 1.00 0.00 O ATOM 0 H GLU A 76 -19.294 6.105 6.767 1.00 0.00 H new ATOM 0 HA GLU A 76 -21.186 7.672 8.276 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -18.859 7.514 8.976 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -18.298 8.080 7.415 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -19.021 10.292 7.810 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -20.117 9.811 9.090 1.00 0.00 H new ATOM 1244 N LEU A 77 -20.087 8.781 5.354 1.00 0.00 N ATOM 1245 CA LEU A 77 -20.393 9.695 4.258 1.00 0.00 C ATOM 1246 C LEU A 77 -21.733 9.347 3.618 1.00 0.00 C ATOM 1247 O LEU A 77 -22.416 10.213 3.071 1.00 0.00 O ATOM 1248 CB LEU A 77 -19.284 9.650 3.206 1.00 0.00 C ATOM 1249 CG LEU A 77 -18.972 8.273 2.618 1.00 0.00 C ATOM 1250 CD1 LEU A 77 -19.921 7.954 1.473 1.00 0.00 C ATOM 1251 CD2 LEU A 77 -17.526 8.210 2.148 1.00 0.00 C ATOM 0 H LEU A 77 -19.252 8.213 5.209 1.00 0.00 H new ATOM 0 HA LEU A 77 -20.457 10.704 4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -19.558 10.318 2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -18.372 10.048 3.651 1.00 0.00 H new ATOM 0 HG LEU A 77 -19.113 7.525 3.398 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -19.684 6.971 1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -20.948 7.957 1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -19.813 8.705 0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -17.321 7.223 1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -17.359 8.968 1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.861 8.394 2.992 1.00 0.00 H new ATOM 1263 N LYS A 78 -22.105 8.073 3.691 1.00 0.00 N ATOM 1264 CA LYS A 78 -23.365 7.609 3.122 1.00 0.00 C ATOM 1265 C LYS A 78 -24.552 8.196 3.878 1.00 0.00 C ATOM 1266 O LYS A 78 -25.692 8.118 3.419 1.00 0.00 O ATOM 1267 CB LYS A 78 -23.430 6.080 3.155 1.00 0.00 C ATOM 1268 CG LYS A 78 -22.944 5.423 1.874 1.00 0.00 C ATOM 1269 CD LYS A 78 -23.962 5.563 0.755 1.00 0.00 C ATOM 1270 CE LYS A 78 -23.393 5.097 -0.576 1.00 0.00 C ATOM 1271 NZ LYS A 78 -24.450 4.544 -1.469 1.00 0.00 N ATOM 0 H LYS A 78 -21.551 7.343 4.139 1.00 0.00 H new ATOM 0 HA LYS A 78 -23.414 7.946 2.087 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -22.830 5.717 3.990 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -24.458 5.772 3.344 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -22.001 5.875 1.568 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -22.747 4.367 2.058 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -24.852 4.981 0.996 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -24.275 6.604 0.674 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -22.899 5.932 -1.072 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -22.632 4.336 -0.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -24.022 4.238 -2.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -24.904 3.731 -1.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -25.163 5.277 -1.659 1.00 0.00 H new ATOM 1354 N ASN A 83 -24.499 16.264 -4.622 1.00 0.00 N ATOM 1355 CA ASN A 83 -23.808 17.292 -5.392 1.00 0.00 C ATOM 1356 C ASN A 83 -23.020 16.671 -6.542 1.00 0.00 C ATOM 1357 O ASN A 83 -22.700 15.483 -6.518 1.00 0.00 O ATOM 1358 CB ASN A 83 -22.868 18.091 -4.488 1.00 0.00 C ATOM 1359 CG ASN A 83 -23.419 19.464 -4.150 1.00 0.00 C ATOM 1360 OD1 ASN A 83 -23.654 19.781 -2.984 1.00 0.00 O ATOM 1361 ND2 ASN A 83 -23.628 20.285 -5.173 1.00 0.00 N ATOM 0 HA ASN A 83 -24.558 17.964 -5.809 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -22.695 17.535 -3.567 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -21.902 18.201 -4.980 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -23.998 21.221 -5.008 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -23.419 19.979 -6.123 1.00 0.00 H new ATOM 1368 N ILE A 84 -22.711 17.485 -7.546 1.00 0.00 N ATOM 1369 CA ILE A 84 -21.959 17.017 -8.705 1.00 0.00 C ATOM 1370 C ILE A 84 -20.572 16.532 -8.299 1.00 0.00 C ATOM 1371 O ILE A 84 -20.203 15.385 -8.554 1.00 0.00 O ATOM 1372 CB ILE A 84 -21.816 18.122 -9.767 1.00 0.00 C ATOM 1373 CG1 ILE A 84 -23.193 18.639 -10.186 1.00 0.00 C ATOM 1374 CG2 ILE A 84 -21.048 17.601 -10.972 1.00 0.00 C ATOM 1375 CD1 ILE A 84 -24.097 17.563 -10.747 1.00 0.00 C ATOM 0 H ILE A 84 -22.969 18.471 -7.581 1.00 0.00 H new ATOM 0 HA ILE A 84 -22.521 16.186 -9.133 1.00 0.00 H new ATOM 0 HB ILE A 84 -21.256 18.951 -9.335 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -23.678 19.097 -9.324 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -23.066 19.422 -10.934 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -20.955 18.394 -11.715 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -20.055 17.279 -10.659 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -21.583 16.757 -11.407 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -25.056 18.001 -11.023 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -23.633 17.121 -11.629 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -24.254 16.791 -9.994 1.00 0.00 H new ATOM 1387 N LEU A 85 -19.805 17.413 -7.665 1.00 0.00 N ATOM 1388 CA LEU A 85 -18.457 17.075 -7.222 1.00 0.00 C ATOM 1389 C LEU A 85 -18.488 15.954 -6.188 1.00 0.00 C ATOM 1390 O LEU A 85 -17.724 14.995 -6.274 1.00 0.00 O ATOM 1391 CB LEU A 85 -17.768 18.308 -6.634 1.00 0.00 C ATOM 1392 CG LEU A 85 -16.317 18.534 -7.062 1.00 0.00 C ATOM 1393 CD1 LEU A 85 -16.046 20.017 -7.265 1.00 0.00 C ATOM 1394 CD2 LEU A 85 -15.361 17.950 -6.033 1.00 0.00 C ATOM 0 H LEU A 85 -20.094 18.367 -7.446 1.00 0.00 H new ATOM 0 HA LEU A 85 -17.893 16.729 -8.088 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -18.348 19.189 -6.908 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -17.798 18.232 -5.547 1.00 0.00 H new ATOM 0 HG LEU A 85 -16.153 18.023 -8.011 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.009 20.159 -7.569 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -16.708 20.405 -8.039 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -16.227 20.551 -6.332 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -14.333 18.120 -6.354 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -15.525 18.432 -5.069 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -15.539 16.879 -5.938 1.00 0.00 H new ATOM 1406 N GLU A 86 -19.381 16.085 -5.209 1.00 0.00 N ATOM 1407 CA GLU A 86 -19.512 15.082 -4.159 1.00 0.00 C ATOM 1408 C GLU A 86 -19.845 13.714 -4.750 1.00 0.00 C ATOM 1409 O GLU A 86 -19.264 12.701 -4.364 1.00 0.00 O ATOM 1410 CB GLU A 86 -20.596 15.495 -3.161 1.00 0.00 C ATOM 1411 CG GLU A 86 -20.097 16.433 -2.075 1.00 0.00 C ATOM 1412 CD GLU A 86 -20.960 16.396 -0.830 1.00 0.00 C ATOM 1413 OE1 GLU A 86 -22.186 16.610 -0.950 1.00 0.00 O ATOM 1414 OE2 GLU A 86 -20.412 16.152 0.265 1.00 0.00 O ATOM 0 H GLU A 86 -20.022 16.874 -5.123 1.00 0.00 H new ATOM 0 HA GLU A 86 -18.556 15.011 -3.639 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -21.410 15.978 -3.701 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -21.009 14.600 -2.695 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -19.074 16.165 -1.811 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -20.070 17.451 -2.464 1.00 0.00 H new ATOM 1421 N ARG A 87 -20.785 13.696 -5.690 1.00 0.00 N ATOM 1422 CA ARG A 87 -21.198 12.454 -6.334 1.00 0.00 C ATOM 1423 C ARG A 87 -20.026 11.806 -7.066 1.00 0.00 C ATOM 1424 O ARG A 87 -19.792 10.604 -6.942 1.00 0.00 O ATOM 1425 CB ARG A 87 -22.340 12.719 -7.315 1.00 0.00 C ATOM 1426 CG ARG A 87 -22.817 11.474 -8.046 1.00 0.00 C ATOM 1427 CD ARG A 87 -23.549 10.526 -7.110 1.00 0.00 C ATOM 1428 NE ARG A 87 -24.290 9.500 -7.841 1.00 0.00 N ATOM 1429 CZ ARG A 87 -24.963 8.520 -7.250 1.00 0.00 C ATOM 1430 NH1 ARG A 87 -24.992 8.432 -5.928 1.00 0.00 N ATOM 1431 NH2 ARG A 87 -25.612 7.623 -7.984 1.00 0.00 N ATOM 0 H ARG A 87 -21.275 14.527 -6.022 1.00 0.00 H new ATOM 0 HA ARG A 87 -21.544 11.770 -5.559 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -23.179 13.156 -6.773 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -22.014 13.458 -8.047 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -23.477 11.761 -8.864 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -21.963 10.962 -8.490 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -22.831 10.049 -6.443 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -24.237 11.094 -6.484 1.00 0.00 H new ATOM 0 HE ARG A 87 -24.290 9.539 -8.860 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -24.496 9.119 -5.360 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -25.510 7.677 -5.478 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -25.593 7.687 -9.002 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -26.129 6.870 -7.530 1.00 0.00 H new ATOM 1445 N PHE A 88 -19.292 12.610 -7.827 1.00 0.00 N ATOM 1446 CA PHE A 88 -18.145 12.115 -8.580 1.00 0.00 C ATOM 1447 C PHE A 88 -17.123 11.467 -7.650 1.00 0.00 C ATOM 1448 O PHE A 88 -16.752 10.308 -7.829 1.00 0.00 O ATOM 1449 CB PHE A 88 -17.490 13.255 -9.361 1.00 0.00 C ATOM 1450 CG PHE A 88 -16.192 12.868 -10.012 1.00 0.00 C ATOM 1451 CD1 PHE A 88 -16.133 11.791 -10.882 1.00 0.00 C ATOM 1452 CD2 PHE A 88 -15.033 13.581 -9.753 1.00 0.00 C ATOM 1453 CE1 PHE A 88 -14.940 11.433 -11.481 1.00 0.00 C ATOM 1454 CE2 PHE A 88 -13.838 13.227 -10.349 1.00 0.00 C ATOM 1455 CZ PHE A 88 -13.791 12.152 -11.215 1.00 0.00 C ATOM 0 H PHE A 88 -19.471 13.608 -7.939 1.00 0.00 H new ATOM 0 HA PHE A 88 -18.501 11.361 -9.282 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -18.182 13.604 -10.128 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -17.313 14.092 -8.686 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -17.028 11.226 -11.094 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -15.064 14.423 -9.078 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -14.906 10.591 -12.157 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.941 13.790 -10.138 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.858 11.874 -11.683 1.00 0.00 H new ATOM 1465 N ASN A 89 -16.673 12.227 -6.656 1.00 0.00 N ATOM 1466 CA ASN A 89 -15.693 11.728 -5.699 1.00 0.00 C ATOM 1467 C ASN A 89 -16.235 10.517 -4.946 1.00 0.00 C ATOM 1468 O ASN A 89 -15.505 9.561 -4.679 1.00 0.00 O ATOM 1469 CB ASN A 89 -15.311 12.829 -4.707 1.00 0.00 C ATOM 1470 CG ASN A 89 -14.784 14.072 -5.398 1.00 0.00 C ATOM 1471 OD1 ASN A 89 -14.677 14.116 -6.624 1.00 0.00 O ATOM 1472 ND2 ASN A 89 -14.449 15.089 -4.612 1.00 0.00 N ATOM 0 H ASN A 89 -16.971 13.189 -6.493 1.00 0.00 H new ATOM 0 HA ASN A 89 -14.805 11.422 -6.253 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -16.182 13.092 -4.107 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -14.554 12.449 -4.021 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -14.086 15.951 -5.020 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -14.554 15.008 -3.601 1.00 0.00 H new ATOM 1479 N TYR A 90 -17.518 10.563 -4.607 1.00 0.00 N ATOM 1480 CA TYR A 90 -18.158 9.470 -3.885 1.00 0.00 C ATOM 1481 C TYR A 90 -18.154 8.191 -4.716 1.00 0.00 C ATOM 1482 O TYR A 90 -17.789 7.123 -4.227 1.00 0.00 O ATOM 1483 CB TYR A 90 -19.593 9.847 -3.515 1.00 0.00 C ATOM 1484 CG TYR A 90 -19.714 10.523 -2.168 1.00 0.00 C ATOM 1485 CD1 TYR A 90 -18.805 11.497 -1.773 1.00 0.00 C ATOM 1486 CD2 TYR A 90 -20.737 10.187 -1.289 1.00 0.00 C ATOM 1487 CE1 TYR A 90 -18.911 12.116 -0.543 1.00 0.00 C ATOM 1488 CE2 TYR A 90 -20.851 10.801 -0.058 1.00 0.00 C ATOM 1489 CZ TYR A 90 -19.936 11.766 0.311 1.00 0.00 C ATOM 1490 OH TYR A 90 -20.046 12.380 1.537 1.00 0.00 O ATOM 0 H TYR A 90 -18.136 11.346 -4.821 1.00 0.00 H new ATOM 0 HA TYR A 90 -17.590 9.290 -2.972 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -19.995 10.509 -4.282 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -20.208 8.947 -3.517 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -18.002 11.775 -2.439 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -21.455 9.432 -1.574 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -18.195 12.870 -0.251 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -21.652 10.528 0.613 1.00 0.00 H new ATOM 0 HH TYR A 90 -20.934 12.205 1.912 1.00 0.00 H new ATOM 1500 N GLU A 91 -18.563 8.310 -5.976 1.00 0.00 N ATOM 1501 CA GLU A 91 -18.607 7.164 -6.874 1.00 0.00 C ATOM 1502 C GLU A 91 -17.226 6.531 -7.018 1.00 0.00 C ATOM 1503 O GLU A 91 -17.056 5.331 -6.802 1.00 0.00 O ATOM 1504 CB GLU A 91 -19.133 7.584 -8.249 1.00 0.00 C ATOM 1505 CG GLU A 91 -19.811 6.459 -9.012 1.00 0.00 C ATOM 1506 CD GLU A 91 -20.407 6.923 -10.327 1.00 0.00 C ATOM 1507 OE1 GLU A 91 -19.670 7.533 -11.129 1.00 0.00 O ATOM 1508 OE2 GLU A 91 -21.610 6.674 -10.554 1.00 0.00 O ATOM 0 H GLU A 91 -18.868 9.188 -6.396 1.00 0.00 H new ATOM 0 HA GLU A 91 -19.283 6.425 -6.444 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -19.840 8.404 -8.123 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -18.304 7.967 -8.844 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -19.087 5.668 -9.205 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -20.598 6.027 -8.393 1.00 0.00 H new ATOM 1515 N GLU A 92 -16.243 7.348 -7.387 1.00 0.00 N ATOM 1516 CA GLU A 92 -14.877 6.868 -7.560 1.00 0.00 C ATOM 1517 C GLU A 92 -14.326 6.307 -6.253 1.00 0.00 C ATOM 1518 O GLU A 92 -13.740 5.226 -6.227 1.00 0.00 O ATOM 1519 CB GLU A 92 -13.976 7.998 -8.063 1.00 0.00 C ATOM 1520 CG GLU A 92 -12.612 7.525 -8.536 1.00 0.00 C ATOM 1521 CD GLU A 92 -11.787 8.640 -9.147 1.00 0.00 C ATOM 1522 OE1 GLU A 92 -11.523 9.637 -8.444 1.00 0.00 O ATOM 1523 OE2 GLU A 92 -11.405 8.516 -10.329 1.00 0.00 O ATOM 0 H GLU A 92 -16.367 8.343 -7.571 1.00 0.00 H new ATOM 0 HA GLU A 92 -14.892 6.068 -8.300 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -14.477 8.513 -8.883 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -13.841 8.727 -7.264 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.069 7.096 -7.694 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.742 6.730 -9.270 1.00 0.00 H new ATOM 1530 N ALA A 93 -14.518 7.052 -5.169 1.00 0.00 N ATOM 1531 CA ALA A 93 -14.042 6.631 -3.857 1.00 0.00 C ATOM 1532 C ALA A 93 -14.503 5.213 -3.537 1.00 0.00 C ATOM 1533 O ALA A 93 -13.698 4.359 -3.165 1.00 0.00 O ATOM 1534 CB ALA A 93 -14.521 7.598 -2.786 1.00 0.00 C ATOM 0 H ALA A 93 -15.000 7.951 -5.174 1.00 0.00 H new ATOM 0 HA ALA A 93 -12.952 6.637 -3.873 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -14.158 7.271 -1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.138 8.596 -2.999 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.611 7.621 -2.778 1.00 0.00 H new ATOM 1540 N GLN A 94 -15.802 4.969 -3.683 1.00 0.00 N ATOM 1541 CA GLN A 94 -16.368 3.655 -3.406 1.00 0.00 C ATOM 1542 C GLN A 94 -15.838 2.616 -4.391 1.00 0.00 C ATOM 1543 O GLN A 94 -15.606 1.462 -4.028 1.00 0.00 O ATOM 1544 CB GLN A 94 -17.895 3.708 -3.478 1.00 0.00 C ATOM 1545 CG GLN A 94 -18.541 4.296 -2.233 1.00 0.00 C ATOM 1546 CD GLN A 94 -19.973 4.732 -2.469 1.00 0.00 C ATOM 1547 OE1 GLN A 94 -20.825 3.927 -2.846 1.00 0.00 O ATOM 1548 NE2 GLN A 94 -20.247 6.012 -2.247 1.00 0.00 N ATOM 0 H GLN A 94 -16.481 5.664 -3.991 1.00 0.00 H new ATOM 0 HA GLN A 94 -16.068 3.363 -2.399 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -18.190 4.300 -4.345 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -18.279 2.700 -3.635 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -18.518 3.557 -1.433 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -17.956 5.151 -1.894 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -19.510 6.645 -1.935 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -21.194 6.363 -2.388 1.00 0.00 H new ATOM 1557 N THR A 95 -15.648 3.033 -5.639 1.00 0.00 N ATOM 1558 CA THR A 95 -15.148 2.140 -6.676 1.00 0.00 C ATOM 1559 C THR A 95 -13.786 1.568 -6.298 1.00 0.00 C ATOM 1560 O THR A 95 -13.580 0.354 -6.330 1.00 0.00 O ATOM 1561 CB THR A 95 -15.033 2.862 -8.031 1.00 0.00 C ATOM 1562 OG1 THR A 95 -16.314 3.360 -8.432 1.00 0.00 O ATOM 1563 CG2 THR A 95 -14.491 1.923 -9.099 1.00 0.00 C ATOM 0 H THR A 95 -15.833 3.985 -5.956 1.00 0.00 H new ATOM 0 HA THR A 95 -15.867 1.326 -6.768 1.00 0.00 H new ATOM 0 HB THR A 95 -14.340 3.696 -7.916 1.00 0.00 H new ATOM 0 HG1 THR A 95 -16.694 3.904 -7.711 1.00 0.00 H new ATOM 0 HG21 THR A 95 -14.418 2.454 -10.048 1.00 0.00 H new ATOM 0 HG22 THR A 95 -13.503 1.569 -8.805 1.00 0.00 H new ATOM 0 HG23 THR A 95 -15.163 1.072 -9.210 1.00 0.00 H new ATOM 1571 N LEU A 96 -12.858 2.450 -5.943 1.00 0.00 N ATOM 1572 CA LEU A 96 -11.514 2.033 -5.558 1.00 0.00 C ATOM 1573 C LEU A 96 -11.544 1.220 -4.267 1.00 0.00 C ATOM 1574 O LEU A 96 -10.885 0.187 -4.158 1.00 0.00 O ATOM 1575 CB LEU A 96 -10.610 3.255 -5.383 1.00 0.00 C ATOM 1576 CG LEU A 96 -10.243 4.006 -6.663 1.00 0.00 C ATOM 1577 CD1 LEU A 96 -9.404 5.233 -6.340 1.00 0.00 C ATOM 1578 CD2 LEU A 96 -9.502 3.089 -7.626 1.00 0.00 C ATOM 0 H LEU A 96 -13.011 3.458 -5.914 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.114 1.403 -6.353 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.102 3.952 -4.705 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.689 2.934 -4.897 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.164 4.337 -7.144 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.152 5.755 -7.263 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -9.970 5.900 -5.689 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.488 4.925 -5.836 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.249 3.640 -8.531 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.588 2.727 -7.154 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.137 2.242 -7.883 1.00 0.00 H new ATOM 1590 N SER A 97 -12.315 1.693 -3.294 1.00 0.00 N ATOM 1591 CA SER A 97 -12.431 1.012 -2.010 1.00 0.00 C ATOM 1592 C SER A 97 -12.898 -0.428 -2.200 1.00 0.00 C ATOM 1593 O SER A 97 -12.345 -1.357 -1.610 1.00 0.00 O ATOM 1594 CB SER A 97 -13.404 1.759 -1.097 1.00 0.00 C ATOM 1595 OG SER A 97 -14.601 1.021 -0.914 1.00 0.00 O ATOM 0 H SER A 97 -12.869 2.546 -3.370 1.00 0.00 H new ATOM 0 HA SER A 97 -11.446 0.999 -1.544 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.934 1.941 -0.131 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.636 2.733 -1.527 1.00 0.00 H new ATOM 0 HG SER A 97 -15.206 1.519 -0.325 1.00 0.00 H new ATOM 1601 N LYS A 98 -13.922 -0.608 -3.029 1.00 0.00 N ATOM 1602 CA LYS A 98 -14.464 -1.933 -3.299 1.00 0.00 C ATOM 1603 C LYS A 98 -13.430 -2.813 -3.994 1.00 0.00 C ATOM 1604 O LYS A 98 -13.178 -3.942 -3.572 1.00 0.00 O ATOM 1605 CB LYS A 98 -15.722 -1.826 -4.165 1.00 0.00 C ATOM 1606 CG LYS A 98 -16.980 -1.516 -3.372 1.00 0.00 C ATOM 1607 CD LYS A 98 -18.211 -1.504 -4.263 1.00 0.00 C ATOM 1608 CE LYS A 98 -19.350 -0.718 -3.630 1.00 0.00 C ATOM 1609 NZ LYS A 98 -19.920 -1.424 -2.450 1.00 0.00 N ATOM 0 H LYS A 98 -14.393 0.149 -3.525 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.724 -2.392 -2.345 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -15.573 -1.048 -4.913 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -15.863 -2.763 -4.704 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -17.107 -2.259 -2.584 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.874 -0.548 -2.883 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -17.958 -1.066 -5.229 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -18.535 -2.528 -4.452 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -18.989 0.264 -3.326 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -20.134 -0.555 -4.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -20.693 -0.857 -2.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -20.288 -2.351 -2.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -19.178 -1.557 -1.734 1.00 0.00 H new ATOM 1623 N ILE A 99 -12.835 -2.289 -5.060 1.00 0.00 N ATOM 1624 CA ILE A 99 -11.827 -3.027 -5.812 1.00 0.00 C ATOM 1625 C ILE A 99 -10.674 -3.456 -4.910 1.00 0.00 C ATOM 1626 O ILE A 99 -10.248 -4.612 -4.936 1.00 0.00 O ATOM 1627 CB ILE A 99 -11.268 -2.189 -6.977 1.00 0.00 C ATOM 1628 CG1 ILE A 99 -12.391 -1.799 -7.939 1.00 0.00 C ATOM 1629 CG2 ILE A 99 -10.179 -2.959 -7.708 1.00 0.00 C ATOM 1630 CD1 ILE A 99 -12.124 -0.515 -8.693 1.00 0.00 C ATOM 0 H ILE A 99 -13.033 -1.356 -5.423 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.319 -3.912 -6.215 1.00 0.00 H new ATOM 0 HB ILE A 99 -10.831 -1.277 -6.572 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -12.541 -2.607 -8.655 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -13.319 -1.694 -7.377 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.794 -2.354 -8.529 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -9.369 -3.189 -7.016 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.593 -3.886 -8.104 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.962 -0.301 -9.356 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -12.003 0.305 -7.985 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.213 -0.622 -9.283 1.00 0.00 H new ATOM 1642 N LEU A 100 -10.174 -2.520 -4.112 1.00 0.00 N ATOM 1643 CA LEU A 100 -9.071 -2.800 -3.199 1.00 0.00 C ATOM 1644 C LEU A 100 -9.453 -3.891 -2.203 1.00 0.00 C ATOM 1645 O LEU A 100 -8.682 -4.820 -1.957 1.00 0.00 O ATOM 1646 CB LEU A 100 -8.665 -1.529 -2.451 1.00 0.00 C ATOM 1647 CG LEU A 100 -7.405 -1.630 -1.592 1.00 0.00 C ATOM 1648 CD1 LEU A 100 -7.709 -2.332 -0.278 1.00 0.00 C ATOM 1649 CD2 LEU A 100 -6.303 -2.359 -2.346 1.00 0.00 C ATOM 0 H LEU A 100 -10.515 -1.559 -4.078 1.00 0.00 H new ATOM 0 HA LEU A 100 -8.224 -3.152 -3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -8.520 -0.732 -3.181 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.494 -1.228 -1.811 1.00 0.00 H new ATOM 0 HG LEU A 100 -7.059 -0.621 -1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -6.800 -2.394 0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.465 -1.769 0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.080 -3.337 -0.480 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -5.413 -2.422 -1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.639 -3.364 -2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.065 -1.814 -3.260 1.00 0.00 H new ATOM 1661 N LEU A 101 -10.647 -3.773 -1.635 1.00 0.00 N ATOM 1662 CA LEU A 101 -11.134 -4.750 -0.667 1.00 0.00 C ATOM 1663 C LEU A 101 -11.120 -6.157 -1.259 1.00 0.00 C ATOM 1664 O LEU A 101 -10.628 -7.098 -0.637 1.00 0.00 O ATOM 1665 CB LEU A 101 -12.550 -4.389 -0.215 1.00 0.00 C ATOM 1666 CG LEU A 101 -12.653 -3.511 1.033 1.00 0.00 C ATOM 1667 CD1 LEU A 101 -14.106 -3.176 1.332 1.00 0.00 C ATOM 1668 CD2 LEU A 101 -12.007 -4.202 2.225 1.00 0.00 C ATOM 0 H LEU A 101 -11.297 -3.011 -1.828 1.00 0.00 H new ATOM 0 HA LEU A 101 -10.468 -4.732 0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -13.053 -3.879 -1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -13.098 -5.313 -0.031 1.00 0.00 H new ATOM 0 HG LEU A 101 -12.119 -2.580 0.844 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -14.159 -2.551 2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -14.537 -2.640 0.486 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -14.664 -4.097 1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -12.089 -3.563 3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -12.513 -5.148 2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -10.955 -4.390 2.010 1.00 0.00 H new ATOM 1680 N LYS A 102 -11.661 -6.291 -2.464 1.00 0.00 N ATOM 1681 CA LYS A 102 -11.709 -7.580 -3.143 1.00 0.00 C ATOM 1682 C LYS A 102 -10.305 -8.141 -3.344 1.00 0.00 C ATOM 1683 O LYS A 102 -10.021 -9.278 -2.967 1.00 0.00 O ATOM 1684 CB LYS A 102 -12.413 -7.442 -4.495 1.00 0.00 C ATOM 1685 CG LYS A 102 -12.543 -8.754 -5.250 1.00 0.00 C ATOM 1686 CD LYS A 102 -12.282 -8.570 -6.736 1.00 0.00 C ATOM 1687 CE LYS A 102 -13.308 -7.644 -7.371 1.00 0.00 C ATOM 1688 NZ LYS A 102 -13.769 -8.151 -8.693 1.00 0.00 N ATOM 0 H LYS A 102 -12.073 -5.522 -2.992 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.272 -8.272 -2.516 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -13.407 -7.024 -4.337 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.862 -6.731 -5.111 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -11.839 -9.480 -4.843 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -13.543 -9.162 -5.103 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.282 -8.162 -6.883 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.308 -9.539 -7.234 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -14.164 -7.538 -6.704 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -12.875 -6.651 -7.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.467 -7.492 -9.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -12.957 -8.228 -9.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -14.206 -9.087 -8.573 1.00 0.00 H new ATOM 1702 N ASP A 103 -9.432 -7.337 -3.940 1.00 0.00 N ATOM 1703 CA ASP A 103 -8.056 -7.752 -4.189 1.00 0.00 C ATOM 1704 C ASP A 103 -7.389 -8.223 -2.901 1.00 0.00 C ATOM 1705 O ASP A 103 -6.707 -9.248 -2.880 1.00 0.00 O ATOM 1706 CB ASP A 103 -7.256 -6.603 -4.802 1.00 0.00 C ATOM 1707 CG ASP A 103 -7.302 -6.608 -6.317 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -6.514 -7.358 -6.932 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -8.125 -5.864 -6.889 1.00 0.00 O ATOM 0 H ASP A 103 -9.652 -6.394 -4.260 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.076 -8.585 -4.892 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.647 -5.655 -4.433 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.219 -6.670 -4.473 1.00 0.00 H new ATOM 1714 N LEU A 104 -7.590 -7.467 -1.826 1.00 0.00 N ATOM 1715 CA LEU A 104 -7.007 -7.805 -0.533 1.00 0.00 C ATOM 1716 C LEU A 104 -7.479 -9.179 -0.066 1.00 0.00 C ATOM 1717 O LEU A 104 -6.672 -10.033 0.302 1.00 0.00 O ATOM 1718 CB LEU A 104 -7.374 -6.745 0.507 1.00 0.00 C ATOM 1719 CG LEU A 104 -6.202 -6.042 1.191 1.00 0.00 C ATOM 1720 CD1 LEU A 104 -5.469 -5.146 0.205 1.00 0.00 C ATOM 1721 CD2 LEU A 104 -6.688 -5.236 2.388 1.00 0.00 C ATOM 0 H LEU A 104 -8.152 -6.616 -1.825 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.923 -7.833 -0.646 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.993 -5.989 0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.988 -7.216 1.275 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.506 -6.801 1.548 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.638 -4.654 0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.088 -5.748 -0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.156 -4.393 -0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.840 -4.742 2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.405 -4.485 2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.168 -5.902 3.105 1.00 0.00 H new ATOM 1733 N LYS A 105 -8.791 -9.386 -0.084 1.00 0.00 N ATOM 1734 CA LYS A 105 -9.372 -10.655 0.336 1.00 0.00 C ATOM 1735 C LYS A 105 -8.762 -11.815 -0.445 1.00 0.00 C ATOM 1736 O LYS A 105 -8.450 -12.860 0.124 1.00 0.00 O ATOM 1737 CB LYS A 105 -10.890 -10.635 0.137 1.00 0.00 C ATOM 1738 CG LYS A 105 -11.644 -9.989 1.286 1.00 0.00 C ATOM 1739 CD LYS A 105 -11.694 -10.899 2.502 1.00 0.00 C ATOM 1740 CE LYS A 105 -12.947 -10.657 3.330 1.00 0.00 C ATOM 1741 NZ LYS A 105 -12.777 -9.515 4.271 1.00 0.00 N ATOM 0 H LYS A 105 -9.473 -8.690 -0.385 1.00 0.00 H new ATOM 0 HA LYS A 105 -9.152 -10.795 1.394 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.120 -10.100 -0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.245 -11.658 0.009 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.164 -9.048 1.554 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -12.659 -9.750 0.968 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -11.665 -11.940 2.180 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -10.811 -10.732 3.119 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.788 -10.459 2.666 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.190 -11.558 3.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -13.437 -9.621 5.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -11.801 -9.503 4.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -12.975 -8.623 3.774 1.00 0.00 H new ATOM 1755 N GLU A 106 -8.596 -11.623 -1.750 1.00 0.00 N ATOM 1756 CA GLU A 106 -8.023 -12.655 -2.607 1.00 0.00 C ATOM 1757 C GLU A 106 -6.581 -12.954 -2.208 1.00 0.00 C ATOM 1758 O GLU A 106 -6.168 -14.113 -2.147 1.00 0.00 O ATOM 1759 CB GLU A 106 -8.079 -12.221 -4.073 1.00 0.00 C ATOM 1760 CG GLU A 106 -7.801 -13.349 -5.052 1.00 0.00 C ATOM 1761 CD GLU A 106 -9.030 -14.190 -5.336 1.00 0.00 C ATOM 1762 OE1 GLU A 106 -9.999 -13.650 -5.911 1.00 0.00 O ATOM 1763 OE2 GLU A 106 -9.023 -15.388 -4.983 1.00 0.00 O ATOM 0 H GLU A 106 -8.850 -10.763 -2.237 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.612 -13.564 -2.482 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -9.064 -11.804 -4.282 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -7.354 -11.423 -4.235 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -7.428 -12.930 -5.987 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -7.013 -13.987 -4.651 1.00 0.00 H new ATOM 1770 N THR A 107 -5.817 -11.900 -1.937 1.00 0.00 N ATOM 1771 CA THR A 107 -4.421 -12.048 -1.545 1.00 0.00 C ATOM 1772 C THR A 107 -4.296 -12.818 -0.236 1.00 0.00 C ATOM 1773 O THR A 107 -3.575 -13.812 -0.157 1.00 0.00 O ATOM 1774 CB THR A 107 -3.733 -10.678 -1.389 1.00 0.00 C ATOM 1775 OG1 THR A 107 -4.013 -9.857 -2.529 1.00 0.00 O ATOM 1776 CG2 THR A 107 -2.229 -10.843 -1.234 1.00 0.00 C ATOM 0 H THR A 107 -6.142 -10.934 -1.982 1.00 0.00 H new ATOM 0 HA THR A 107 -3.927 -12.606 -2.340 1.00 0.00 H new ATOM 0 HB THR A 107 -4.125 -10.199 -0.492 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.946 -9.558 -2.496 1.00 0.00 H new ATOM 0 HG21 THR A 107 -1.765 -9.863 -1.125 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.018 -11.444 -0.350 1.00 0.00 H new ATOM 0 HG23 THR A 107 -1.825 -11.340 -2.116 1.00 0.00 H new ATOM 1784 N GLU A 108 -5.003 -12.353 0.790 1.00 0.00 N ATOM 1785 CA GLU A 108 -4.970 -13.000 2.096 1.00 0.00 C ATOM 1786 C GLU A 108 -5.440 -14.449 1.998 1.00 0.00 C ATOM 1787 O GLU A 108 -4.921 -15.328 2.685 1.00 0.00 O ATOM 1788 CB GLU A 108 -5.844 -12.235 3.091 1.00 0.00 C ATOM 1789 CG GLU A 108 -7.309 -12.174 2.693 1.00 0.00 C ATOM 1790 CD GLU A 108 -8.162 -11.451 3.718 1.00 0.00 C ATOM 1791 OE1 GLU A 108 -7.900 -10.257 3.972 1.00 0.00 O ATOM 1792 OE2 GLU A 108 -9.091 -12.080 4.266 1.00 0.00 O ATOM 0 H GLU A 108 -5.605 -11.531 0.741 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.939 -12.994 2.450 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.762 -12.706 4.071 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -5.461 -11.219 3.192 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -7.400 -11.671 1.730 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -7.688 -13.187 2.560 1.00 0.00 H new ATOM 1799 N GLN A 109 -6.426 -14.687 1.139 1.00 0.00 N ATOM 1800 CA GLN A 109 -6.968 -16.028 0.952 1.00 0.00 C ATOM 1801 C GLN A 109 -5.922 -16.957 0.343 1.00 0.00 C ATOM 1802 O GLN A 109 -5.778 -18.106 0.762 1.00 0.00 O ATOM 1803 CB GLN A 109 -8.207 -15.981 0.057 1.00 0.00 C ATOM 1804 CG GLN A 109 -8.817 -17.347 -0.212 1.00 0.00 C ATOM 1805 CD GLN A 109 -10.162 -17.260 -0.902 1.00 0.00 C ATOM 1806 OE1 GLN A 109 -10.245 -16.933 -2.087 1.00 0.00 O ATOM 1807 NE2 GLN A 109 -11.227 -17.553 -0.165 1.00 0.00 N ATOM 0 H GLN A 109 -6.865 -13.970 0.562 1.00 0.00 H new ATOM 0 HA GLN A 109 -7.250 -16.418 1.930 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -8.958 -15.343 0.523 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -7.941 -15.518 -0.893 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -8.134 -17.931 -0.829 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -8.931 -17.882 0.731 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -11.113 -17.819 0.813 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -12.159 -17.512 -0.577 1.00 0.00 H new ATOM 1816 N LYS A 110 -5.194 -16.453 -0.647 1.00 0.00 N ATOM 1817 CA LYS A 110 -4.161 -17.236 -1.314 1.00 0.00 C ATOM 1818 C LYS A 110 -3.029 -17.577 -0.350 1.00 0.00 C ATOM 1819 O LYS A 110 -2.569 -18.717 -0.295 1.00 0.00 O ATOM 1820 CB LYS A 110 -3.607 -16.470 -2.516 1.00 0.00 C ATOM 1821 CG LYS A 110 -4.537 -16.468 -3.718 1.00 0.00 C ATOM 1822 CD LYS A 110 -4.610 -17.839 -4.368 1.00 0.00 C ATOM 1823 CE LYS A 110 -5.646 -17.874 -5.480 1.00 0.00 C ATOM 1824 NZ LYS A 110 -5.263 -16.999 -6.623 1.00 0.00 N ATOM 0 H LYS A 110 -5.301 -15.504 -1.006 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.613 -18.166 -1.660 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -3.408 -15.440 -2.220 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -2.652 -16.908 -2.807 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -5.535 -16.158 -3.407 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -4.189 -15.737 -4.447 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -3.633 -18.104 -4.771 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -4.858 -18.587 -3.615 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -5.767 -18.899 -5.832 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -6.612 -17.556 -5.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -5.951 -17.115 -7.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -5.255 -16.006 -6.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -4.316 -17.264 -6.961 1.00 0.00 H new ATOM 1838 N VAL A 111 -2.586 -16.581 0.411 1.00 0.00 N ATOM 1839 CA VAL A 111 -1.510 -16.776 1.376 1.00 0.00 C ATOM 1840 C VAL A 111 -1.894 -17.811 2.426 1.00 0.00 C ATOM 1841 O VAL A 111 -1.189 -18.799 2.628 1.00 0.00 O ATOM 1842 CB VAL A 111 -1.143 -15.457 2.080 1.00 0.00 C ATOM 1843 CG1 VAL A 111 -0.050 -15.689 3.112 1.00 0.00 C ATOM 1844 CG2 VAL A 111 -0.713 -14.410 1.063 1.00 0.00 C ATOM 0 H VAL A 111 -2.956 -15.631 0.378 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.645 -17.134 0.818 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.027 -15.085 2.598 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.196 -14.746 3.599 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.400 -16.402 3.858 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.838 -16.085 2.619 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.458 -13.485 1.579 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.157 -14.771 0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.530 -14.223 0.366 1.00 0.00 H new ATOM 1854 N LYS A 112 -3.019 -17.579 3.094 1.00 0.00 N ATOM 1855 CA LYS A 112 -3.501 -18.491 4.124 1.00 0.00 C ATOM 1856 C LYS A 112 -3.792 -19.868 3.537 1.00 0.00 C ATOM 1857 O LYS A 112 -3.671 -20.884 4.222 1.00 0.00 O ATOM 1858 CB LYS A 112 -4.762 -17.930 4.783 1.00 0.00 C ATOM 1859 CG LYS A 112 -6.046 -18.324 4.075 1.00 0.00 C ATOM 1860 CD LYS A 112 -7.182 -17.370 4.406 1.00 0.00 C ATOM 1861 CE LYS A 112 -8.523 -17.919 3.944 1.00 0.00 C ATOM 1862 NZ LYS A 112 -8.993 -19.035 4.809 1.00 0.00 N ATOM 0 H LYS A 112 -3.615 -16.766 2.940 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.720 -18.593 4.878 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -4.806 -18.275 5.816 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -4.693 -16.843 4.813 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -5.880 -18.334 2.998 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -6.325 -19.337 4.363 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -7.210 -17.195 5.482 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -6.999 -16.406 3.931 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -9.264 -17.119 3.948 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.437 -18.268 2.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.983 -19.257 4.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -8.403 -19.875 4.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -8.922 -18.754 5.808 1.00 0.00 H new ATOM 1876 N ASP A 113 -4.175 -19.896 2.265 1.00 0.00 N ATOM 1877 CA ASP A 113 -4.482 -21.149 1.586 1.00 0.00 C ATOM 1878 C ASP A 113 -3.223 -21.992 1.406 1.00 0.00 C ATOM 1879 O ASP A 113 -3.237 -23.202 1.635 1.00 0.00 O ATOM 1880 CB ASP A 113 -5.122 -20.873 0.225 1.00 0.00 C ATOM 1881 CG ASP A 113 -5.344 -22.139 -0.579 1.00 0.00 C ATOM 1882 OD1 ASP A 113 -6.004 -23.064 -0.060 1.00 0.00 O ATOM 1883 OD2 ASP A 113 -4.857 -22.205 -1.727 1.00 0.00 O ATOM 0 H ASP A 113 -4.280 -19.065 1.683 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.186 -21.705 2.205 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -6.076 -20.367 0.372 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -4.485 -20.194 -0.341 1.00 0.00 H new ATOM 1888 N ILE A 114 -2.137 -21.346 0.996 1.00 0.00 N ATOM 1889 CA ILE A 114 -0.871 -22.036 0.787 1.00 0.00 C ATOM 1890 C ILE A 114 -0.421 -22.756 2.054 1.00 0.00 C ATOM 1891 O ILE A 114 -0.249 -22.137 3.103 1.00 0.00 O ATOM 1892 CB ILE A 114 0.236 -21.060 0.346 1.00 0.00 C ATOM 1893 CG1 ILE A 114 0.337 -21.026 -1.181 1.00 0.00 C ATOM 1894 CG2 ILE A 114 1.569 -21.458 0.960 1.00 0.00 C ATOM 1895 CD1 ILE A 114 -0.912 -20.504 -1.857 1.00 0.00 C ATOM 0 H ILE A 114 -2.109 -20.345 0.802 1.00 0.00 H new ATOM 0 HA ILE A 114 -1.038 -22.767 -0.004 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.020 -20.061 0.698 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.183 -20.402 -1.467 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.545 -22.032 -1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 114 2.341 -20.759 0.639 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.490 -21.437 2.047 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.833 -22.464 0.635 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.769 -20.508 -2.938 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.758 -21.141 -1.600 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -1.109 -19.486 -1.521 1.00 0.00 H new ATOM 1907 N GLN A 115 -0.233 -24.068 1.947 1.00 0.00 N ATOM 1908 CA GLN A 115 0.199 -24.872 3.085 1.00 0.00 C ATOM 1909 C GLN A 115 1.696 -24.715 3.326 1.00 0.00 C ATOM 1910 O GLN A 115 2.503 -24.860 2.408 1.00 0.00 O ATOM 1911 CB GLN A 115 -0.141 -26.345 2.852 1.00 0.00 C ATOM 1912 CG GLN A 115 0.552 -26.945 1.640 1.00 0.00 C ATOM 1913 CD GLN A 115 -0.107 -28.224 1.164 1.00 0.00 C ATOM 1914 OE1 GLN A 115 -1.279 -28.228 0.786 1.00 0.00 O ATOM 1915 NE2 GLN A 115 0.643 -29.319 1.178 1.00 0.00 N ATOM 0 H GLN A 115 -0.373 -24.596 1.086 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.331 -24.519 3.970 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.134 -26.917 3.738 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -1.220 -26.445 2.730 1.00 0.00 H new ATOM 0 HG2 GLN A 115 0.552 -26.217 0.829 1.00 0.00 H new ATOM 0 HG3 GLN A 115 1.594 -27.148 1.886 1.00 0.00 H new ATOM 0 HE21 GLN A 115 1.610 -29.271 1.499 1.00 0.00 H new ATOM 0 HE22 GLN A 115 0.252 -30.209 0.868 1.00 0.00 H new ATOM 1924 N THR A 116 2.062 -24.418 4.570 1.00 0.00 N ATOM 1925 CA THR A 116 3.462 -24.239 4.932 1.00 0.00 C ATOM 1926 C THR A 116 3.712 -24.648 6.379 1.00 0.00 C ATOM 1927 O THR A 116 2.772 -24.895 7.134 1.00 0.00 O ATOM 1928 CB THR A 116 3.912 -22.779 4.739 1.00 0.00 C ATOM 1929 OG1 THR A 116 2.950 -21.890 5.316 1.00 0.00 O ATOM 1930 CG2 THR A 116 4.084 -22.457 3.261 1.00 0.00 C ATOM 0 H THR A 116 1.408 -24.297 5.343 1.00 0.00 H new ATOM 0 HA THR A 116 4.043 -24.880 4.269 1.00 0.00 H new ATOM 0 HB THR A 116 4.872 -22.649 5.238 1.00 0.00 H new ATOM 0 HG1 THR A 116 2.375 -21.527 4.610 1.00 0.00 H new ATOM 0 HG21 THR A 116 4.402 -21.420 3.149 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.837 -23.116 2.830 1.00 0.00 H new ATOM 0 HG23 THR A 116 3.136 -22.603 2.744 1.00 0.00 H new ATOM 1938 N GLN A 117 4.984 -24.716 6.760 1.00 0.00 N ATOM 1939 CA GLN A 117 5.356 -25.095 8.118 1.00 0.00 C ATOM 1940 C GLN A 117 4.612 -24.246 9.143 1.00 0.00 C ATOM 1941 O GLN A 117 5.043 -24.117 10.289 1.00 0.00 O ATOM 1942 CB GLN A 117 6.865 -24.949 8.316 1.00 0.00 C ATOM 1943 CG GLN A 117 7.685 -25.917 7.477 1.00 0.00 C ATOM 1944 CD GLN A 117 7.311 -27.366 7.728 1.00 0.00 C ATOM 1945 OE1 GLN A 117 6.591 -27.977 6.939 1.00 0.00 O ATOM 1946 NE2 GLN A 117 7.801 -27.922 8.829 1.00 0.00 N ATOM 0 H GLN A 117 5.774 -24.514 6.147 1.00 0.00 H new ATOM 0 HA GLN A 117 5.077 -26.138 8.266 1.00 0.00 H new ATOM 0 HB2 GLN A 117 7.158 -23.929 8.069 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.102 -25.103 9.369 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.544 -25.687 6.421 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.743 -25.775 7.696 1.00 0.00 H new ATOM 0 HE21 GLN A 117 8.394 -27.377 9.455 1.00 0.00 H new ATOM 0 HE22 GLN A 117 7.584 -28.894 9.049 1.00 0.00 H new