USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 802 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 49 LYS NZ :NH3+ -163:sc= 0.815 (180deg=0) USER MOD Set 1.2: A 117 GLN : amide:sc= 0.718 K(o=1.5,f=-2.8) USER MOD Set 2.1: A 35 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 39 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.76) USER MOD Set 3.1: A 21 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.23) USER MOD Set 3.2: A 24 HIS : no HD1:sc= 0 X(o=-0.11,f=-0.12) USER MOD Single : A 23 ASN : amide:sc= -0.284 K(o=-0.28,f=-2!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN :FLIP amide:sc= -1.99 F(o=-2.7!,f=-2) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HE2:sc= 1.19 K(o=1.2,f=-4.6!) USER MOD Single : A 44 ASN : amide:sc= 0.424 K(o=0.42,f=-1.5) USER MOD Single : A 46 ASN : amide:sc= -0.86 X(o=-0.86,f=-0.74) USER MOD Single : A 47 LYS NZ :NH3+ 168:sc= -0.0535 (180deg=-0.274) USER MOD Single : A 48 SER OG : rot 26:sc= 1.1 USER MOD Single : A 52 GLN : amide:sc= -4.8! C(o=-4.8!,f=-12!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 135:sc= -0.232 (180deg=-1.8) USER MOD Single : A 70 GLN :FLIP amide:sc= -1.52 F(o=-3.2!,f=-1.5) USER MOD Single : A 78 LYS NZ :NH3+ 150:sc= 1.18 (180deg=0.176) USER MOD Single : A 89 ASN : amide:sc= -1.61 K(o=-1.6,f=-2.5!) USER MOD Single : A 90 TYR OH : rot 52:sc= 1.24 USER MOD Single : A 94 GLN : amide:sc= 1.11 K(o=1.1,f=-0.29) USER MOD Single : A 95 THR OG1 : rot 77:sc= 1.26 USER MOD Single : A 97 SER OG : rot 19:sc= 0.419 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ -169:sc= 0.139 (180deg=-0.0116) USER MOD Single : A 105 LYS NZ :NH3+ -165:sc= -0.0342 (180deg=-0.228) USER MOD Single : A 107 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 109 GLN : amide:sc= 0.309 X(o=0.31,f=0) USER MOD Single : A 110 LYS NZ :NH3+ -172:sc= 1.2 (180deg=1.07) USER MOD Single : A 112 LYS NZ :NH3+ 157:sc= -0.136 (180deg=-0.583) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 THR OG1 : rot 160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 297 N LEU A 18 1.541 17.179 0.876 1.00 0.00 N ATOM 298 CA LEU A 18 0.480 16.319 0.342 1.00 0.00 C ATOM 299 C LEU A 18 1.000 15.311 -0.686 1.00 0.00 C ATOM 300 O LEU A 18 1.211 14.135 -0.368 1.00 0.00 O ATOM 301 CB LEU A 18 -0.653 17.167 -0.267 1.00 0.00 C ATOM 302 CG LEU A 18 -1.614 17.857 0.727 1.00 0.00 C ATOM 303 CD1 LEU A 18 -0.879 18.836 1.634 1.00 0.00 C ATOM 304 CD2 LEU A 18 -2.718 18.573 -0.029 1.00 0.00 C ATOM 0 HA LEU A 18 0.088 15.747 1.183 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.203 17.936 -0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.243 16.526 -0.922 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.050 17.084 1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.589 19.301 2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.120 18.302 2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.402 19.606 1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.390 19.056 0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.281 19.326 -0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.277 17.852 -0.626 1.00 0.00 H new ATOM 316 N ILE A 19 1.211 15.771 -1.910 1.00 0.00 N ATOM 317 CA ILE A 19 1.683 14.904 -2.983 1.00 0.00 C ATOM 318 C ILE A 19 3.070 14.345 -2.682 1.00 0.00 C ATOM 319 O ILE A 19 3.393 13.224 -3.069 1.00 0.00 O ATOM 320 CB ILE A 19 1.674 15.638 -4.347 1.00 0.00 C ATOM 321 CG1 ILE A 19 0.232 15.845 -4.817 1.00 0.00 C ATOM 322 CG2 ILE A 19 2.473 14.874 -5.396 1.00 0.00 C ATOM 323 CD1 ILE A 19 -0.546 14.549 -4.994 1.00 0.00 C ATOM 0 H ILE A 19 1.063 16.741 -2.187 1.00 0.00 H new ATOM 0 HA ILE A 19 0.990 14.065 -3.046 1.00 0.00 H new ATOM 0 HB ILE A 19 2.150 16.609 -4.214 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.289 16.475 -4.096 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.242 16.385 -5.764 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.446 15.417 -6.341 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.507 14.774 -5.065 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.039 13.884 -5.534 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.558 14.775 -5.328 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.049 13.925 -5.737 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.588 14.017 -4.043 1.00 0.00 H new ATOM 335 N GLU A 20 3.866 15.119 -1.967 1.00 0.00 N ATOM 336 CA GLU A 20 5.212 14.703 -1.604 1.00 0.00 C ATOM 337 C GLU A 20 5.176 13.377 -0.849 1.00 0.00 C ATOM 338 O GLU A 20 5.927 12.452 -1.160 1.00 0.00 O ATOM 339 CB GLU A 20 5.876 15.757 -0.734 1.00 0.00 C ATOM 340 CG GLU A 20 5.677 17.185 -1.219 1.00 0.00 C ATOM 341 CD GLU A 20 6.212 17.403 -2.615 1.00 0.00 C ATOM 342 OE1 GLU A 20 7.415 17.695 -2.754 1.00 0.00 O ATOM 343 OE2 GLU A 20 5.438 17.280 -3.576 1.00 0.00 O ATOM 0 H GLU A 20 3.604 16.043 -1.624 1.00 0.00 H new ATOM 0 HA GLU A 20 5.786 14.579 -2.522 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.486 15.672 0.280 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.945 15.549 -0.683 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.614 17.427 -1.199 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.173 17.871 -0.532 1.00 0.00 H new ATOM 350 N GLN A 21 4.286 13.285 0.140 1.00 0.00 N ATOM 351 CA GLN A 21 4.160 12.069 0.920 1.00 0.00 C ATOM 352 C GLN A 21 3.571 10.950 0.072 1.00 0.00 C ATOM 353 O GLN A 21 4.002 9.808 0.157 1.00 0.00 O ATOM 354 CB GLN A 21 3.320 12.296 2.182 1.00 0.00 C ATOM 355 CG GLN A 21 3.227 11.072 3.097 1.00 0.00 C ATOM 356 CD GLN A 21 4.588 10.571 3.570 1.00 0.00 C ATOM 357 OE1 GLN A 21 5.214 9.722 2.930 1.00 0.00 O ATOM 358 NE2 GLN A 21 5.050 11.085 4.694 1.00 0.00 N ATOM 0 H GLN A 21 3.650 14.035 0.413 1.00 0.00 H new ATOM 0 HA GLN A 21 5.159 11.773 1.240 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.746 13.126 2.745 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.314 12.594 1.887 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.617 11.321 3.965 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.715 10.268 2.567 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.505 11.785 5.197 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.952 10.782 5.060 1.00 0.00 H new ATOM 367 N ALA A 22 2.571 11.295 -0.746 1.00 0.00 N ATOM 368 CA ALA A 22 1.955 10.335 -1.665 1.00 0.00 C ATOM 369 C ALA A 22 3.003 9.682 -2.565 1.00 0.00 C ATOM 370 O ALA A 22 3.033 8.458 -2.722 1.00 0.00 O ATOM 371 CB ALA A 22 0.890 11.022 -2.511 1.00 0.00 C ATOM 0 H ALA A 22 2.172 12.233 -0.790 1.00 0.00 H new ATOM 0 HA ALA A 22 1.485 9.552 -1.069 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.441 10.297 -3.189 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.120 11.436 -1.860 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.347 11.825 -3.089 1.00 0.00 H new ATOM 377 N ASN A 23 3.866 10.514 -3.137 1.00 0.00 N ATOM 378 CA ASN A 23 4.949 10.044 -3.998 1.00 0.00 C ATOM 379 C ASN A 23 5.889 9.138 -3.227 1.00 0.00 C ATOM 380 O ASN A 23 6.389 8.144 -3.754 1.00 0.00 O ATOM 381 CB ASN A 23 5.727 11.217 -4.610 1.00 0.00 C ATOM 382 CG ASN A 23 5.014 11.839 -5.797 1.00 0.00 C ATOM 383 OD1 ASN A 23 4.283 11.165 -6.520 1.00 0.00 O ATOM 384 ND2 ASN A 23 5.232 13.124 -6.012 1.00 0.00 N ATOM 0 H ASN A 23 3.837 11.527 -3.019 1.00 0.00 H new ATOM 0 HA ASN A 23 4.500 9.475 -4.812 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.886 11.979 -3.847 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.711 10.870 -4.924 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.787 13.592 -6.801 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.846 13.648 -5.389 1.00 0.00 H new ATOM 391 N HIS A 24 6.115 9.470 -1.974 1.00 0.00 N ATOM 392 CA HIS A 24 6.978 8.671 -1.132 1.00 0.00 C ATOM 393 C HIS A 24 6.299 7.348 -0.773 1.00 0.00 C ATOM 394 O HIS A 24 6.948 6.305 -0.730 1.00 0.00 O ATOM 395 CB HIS A 24 7.366 9.442 0.133 1.00 0.00 C ATOM 396 CG HIS A 24 8.421 8.774 0.958 1.00 0.00 C ATOM 397 ND1 HIS A 24 8.164 8.191 2.179 1.00 0.00 N ATOM 398 CD2 HIS A 24 9.744 8.611 0.739 1.00 0.00 C ATOM 399 CE1 HIS A 24 9.281 7.701 2.672 1.00 0.00 C ATOM 400 NE2 HIS A 24 10.255 7.942 1.819 1.00 0.00 N ATOM 0 H HIS A 24 5.713 10.288 -1.516 1.00 0.00 H new ATOM 0 HA HIS A 24 7.890 8.450 -1.686 1.00 0.00 H new ATOM 0 HB2 HIS A 24 7.717 10.434 -0.153 1.00 0.00 H new ATOM 0 HB3 HIS A 24 6.476 9.583 0.746 1.00 0.00 H new ATOM 0 HD2 HIS A 24 10.296 8.946 -0.127 1.00 0.00 H new ATOM 0 HE1 HIS A 24 9.382 7.188 3.617 1.00 0.00 H new ATOM 0 HE2 HIS A 24 11.231 7.674 1.943 1.00 0.00 H new ATOM 409 N ALA A 25 4.994 7.392 -0.516 1.00 0.00 N ATOM 410 CA ALA A 25 4.236 6.198 -0.176 1.00 0.00 C ATOM 411 C ALA A 25 4.181 5.215 -1.334 1.00 0.00 C ATOM 412 O ALA A 25 4.387 4.022 -1.140 1.00 0.00 O ATOM 413 CB ALA A 25 2.832 6.574 0.263 1.00 0.00 C ATOM 0 H ALA A 25 4.440 8.248 -0.538 1.00 0.00 H new ATOM 0 HA ALA A 25 4.750 5.705 0.649 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.275 5.671 0.515 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.886 7.223 1.137 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.326 7.098 -0.547 1.00 0.00 H new ATOM 419 N ILE A 26 3.905 5.714 -2.542 1.00 0.00 N ATOM 420 CA ILE A 26 3.849 4.841 -3.713 1.00 0.00 C ATOM 421 C ILE A 26 5.218 4.227 -3.986 1.00 0.00 C ATOM 422 O ILE A 26 5.316 3.087 -4.427 1.00 0.00 O ATOM 423 CB ILE A 26 3.318 5.561 -4.986 1.00 0.00 C ATOM 424 CG1 ILE A 26 4.186 6.773 -5.335 1.00 0.00 C ATOM 425 CG2 ILE A 26 1.865 5.973 -4.793 1.00 0.00 C ATOM 426 CD1 ILE A 26 3.760 7.491 -6.600 1.00 0.00 C ATOM 0 H ILE A 26 3.720 6.699 -2.731 1.00 0.00 H new ATOM 0 HA ILE A 26 3.135 4.052 -3.478 1.00 0.00 H new ATOM 0 HB ILE A 26 3.372 4.863 -5.821 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.160 7.477 -4.503 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.220 6.447 -5.445 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.507 6.476 -5.691 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.258 5.088 -4.606 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.789 6.651 -3.943 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.423 8.337 -6.779 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.813 6.803 -7.444 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.737 7.850 -6.488 1.00 0.00 H new ATOM 438 N GLU A 27 6.272 4.992 -3.699 1.00 0.00 N ATOM 439 CA GLU A 27 7.637 4.496 -3.826 1.00 0.00 C ATOM 440 C GLU A 27 7.845 3.319 -2.869 1.00 0.00 C ATOM 441 O GLU A 27 8.384 2.264 -3.249 1.00 0.00 O ATOM 442 CB GLU A 27 8.636 5.603 -3.483 1.00 0.00 C ATOM 443 CG GLU A 27 10.087 5.158 -3.488 1.00 0.00 C ATOM 444 CD GLU A 27 11.005 6.193 -2.887 1.00 0.00 C ATOM 445 OE1 GLU A 27 11.446 7.101 -3.621 1.00 0.00 O ATOM 446 OE2 GLU A 27 11.285 6.108 -1.670 1.00 0.00 O ATOM 0 H GLU A 27 6.203 5.957 -3.377 1.00 0.00 H new ATOM 0 HA GLU A 27 7.799 4.172 -4.854 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.516 6.419 -4.196 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.394 6.002 -2.498 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.181 4.225 -2.932 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.398 4.951 -4.512 1.00 0.00 H new ATOM 453 N LYS A 28 7.384 3.496 -1.636 1.00 0.00 N ATOM 454 CA LYS A 28 7.506 2.475 -0.613 1.00 0.00 C ATOM 455 C LYS A 28 6.674 1.253 -0.985 1.00 0.00 C ATOM 456 O LYS A 28 7.158 0.117 -0.934 1.00 0.00 O ATOM 457 CB LYS A 28 7.040 3.029 0.738 1.00 0.00 C ATOM 458 CG LYS A 28 7.244 2.080 1.909 1.00 0.00 C ATOM 459 CD LYS A 28 6.601 2.615 3.185 1.00 0.00 C ATOM 460 CE LYS A 28 7.139 3.989 3.561 1.00 0.00 C ATOM 461 NZ LYS A 28 6.581 4.469 4.852 1.00 0.00 N ATOM 0 H LYS A 28 6.918 4.348 -1.323 1.00 0.00 H new ATOM 0 HA LYS A 28 8.552 2.179 -0.537 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.575 3.957 0.941 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.981 3.279 0.669 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.818 1.106 1.667 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.311 1.929 2.074 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.521 2.673 3.050 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.783 1.918 4.003 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.226 3.947 3.629 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.896 4.702 2.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.972 5.407 5.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.546 4.534 4.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.834 3.802 5.609 1.00 0.00 H new ATOM 475 N GLY A 29 5.425 1.502 -1.384 1.00 0.00 N ATOM 476 CA GLY A 29 4.522 0.434 -1.757 1.00 0.00 C ATOM 477 C GLY A 29 5.039 -0.374 -2.923 1.00 0.00 C ATOM 478 O GLY A 29 4.985 -1.595 -2.912 1.00 0.00 O ATOM 0 H GLY A 29 5.024 2.437 -1.454 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.369 -0.224 -0.902 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.550 0.856 -2.013 1.00 0.00 H new ATOM 482 N GLU A 30 5.553 0.326 -3.922 1.00 0.00 N ATOM 483 CA GLU A 30 6.078 -0.316 -5.114 1.00 0.00 C ATOM 484 C GLU A 30 7.180 -1.304 -4.755 1.00 0.00 C ATOM 485 O GLU A 30 7.157 -2.453 -5.189 1.00 0.00 O ATOM 486 CB GLU A 30 6.604 0.714 -6.118 1.00 0.00 C ATOM 487 CG GLU A 30 6.980 0.106 -7.463 1.00 0.00 C ATOM 488 CD GLU A 30 7.562 1.112 -8.424 1.00 0.00 C ATOM 489 OE1 GLU A 30 6.812 1.971 -8.923 1.00 0.00 O ATOM 490 OE2 GLU A 30 8.784 1.052 -8.688 1.00 0.00 O ATOM 0 H GLU A 30 5.617 1.344 -3.929 1.00 0.00 H new ATOM 0 HA GLU A 30 5.256 -0.859 -5.581 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.845 1.481 -6.273 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.477 1.211 -5.695 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.701 -0.695 -7.304 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.095 -0.346 -7.911 1.00 0.00 H new ATOM 497 N HIS A 31 8.124 -0.863 -3.927 1.00 0.00 N ATOM 498 CA HIS A 31 9.248 -1.711 -3.556 1.00 0.00 C ATOM 499 C HIS A 31 8.806 -2.901 -2.701 1.00 0.00 C ATOM 500 O HIS A 31 9.289 -4.012 -2.891 1.00 0.00 O ATOM 501 CB HIS A 31 10.337 -0.913 -2.834 1.00 0.00 C ATOM 502 CG HIS A 31 11.614 -1.689 -2.640 1.00 0.00 C ATOM 503 ND1 HIS A 31 12.165 -1.950 -1.404 1.00 0.00 N ATOM 504 CD2 HIS A 31 12.446 -2.263 -3.545 1.00 0.00 C ATOM 505 CE1 HIS A 31 13.275 -2.651 -1.558 1.00 0.00 C ATOM 506 NE2 HIS A 31 13.465 -2.853 -2.848 1.00 0.00 N ATOM 0 H HIS A 31 8.132 0.066 -3.506 1.00 0.00 H new ATOM 0 HA HIS A 31 9.666 -2.101 -4.484 1.00 0.00 H new ATOM 0 HB2 HIS A 31 10.552 -0.008 -3.403 1.00 0.00 H new ATOM 0 HB3 HIS A 31 9.961 -0.596 -1.861 1.00 0.00 H new ATOM 0 HD2 HIS A 31 12.326 -2.256 -4.618 1.00 0.00 H new ATOM 0 HE1 HIS A 31 13.917 -2.999 -0.763 1.00 0.00 H new ATOM 0 HE2 HIS A 31 14.245 -3.366 -3.259 1.00 0.00 H new ATOM 515 N GLN A 32 7.883 -2.674 -1.768 1.00 0.00 N ATOM 516 CA GLN A 32 7.420 -3.755 -0.900 1.00 0.00 C ATOM 517 C GLN A 32 6.552 -4.744 -1.685 1.00 0.00 C ATOM 518 O GLN A 32 6.581 -5.942 -1.415 1.00 0.00 O ATOM 519 CB GLN A 32 6.690 -3.196 0.350 1.00 0.00 C ATOM 520 CG GLN A 32 5.333 -2.534 0.095 1.00 0.00 C ATOM 521 CD GLN A 32 4.172 -3.523 -0.041 1.00 0.00 C ATOM 522 OE1 GLN A 32 4.234 -4.635 0.679 1.00 0.00 O flip ATOM 523 NE2 GLN A 32 3.219 -3.274 -0.771 1.00 0.00 N flip ATOM 0 H GLN A 32 7.447 -1.768 -1.595 1.00 0.00 H new ATOM 0 HA GLN A 32 8.289 -4.303 -0.537 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.546 -4.013 1.058 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.342 -2.468 0.832 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.117 -1.846 0.912 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.397 -1.937 -0.815 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.203 -2.409 -1.312 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.442 -3.932 -0.838 1.00 0.00 H new ATOM 532 N LEU A 33 5.807 -4.244 -2.662 1.00 0.00 N ATOM 533 CA LEU A 33 4.987 -5.101 -3.511 1.00 0.00 C ATOM 534 C LEU A 33 5.888 -5.981 -4.360 1.00 0.00 C ATOM 535 O LEU A 33 5.686 -7.194 -4.452 1.00 0.00 O ATOM 536 CB LEU A 33 4.045 -4.235 -4.386 1.00 0.00 C ATOM 537 CG LEU A 33 3.144 -4.971 -5.416 1.00 0.00 C ATOM 538 CD1 LEU A 33 3.884 -5.191 -6.729 1.00 0.00 C ATOM 539 CD2 LEU A 33 2.646 -6.307 -4.861 1.00 0.00 C ATOM 0 H LEU A 33 5.753 -3.251 -2.887 1.00 0.00 H new ATOM 0 HA LEU A 33 4.363 -5.747 -2.894 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.398 -3.664 -3.720 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.658 -3.515 -4.929 1.00 0.00 H new ATOM 0 HG LEU A 33 2.279 -4.336 -5.607 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.231 -5.708 -7.432 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.178 -4.228 -7.147 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.773 -5.795 -6.549 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.018 -6.798 -5.604 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.499 -6.945 -4.627 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.066 -6.131 -3.955 1.00 0.00 H new ATOM 551 N LEU A 34 6.911 -5.375 -4.943 1.00 0.00 N ATOM 552 CA LEU A 34 7.848 -6.107 -5.771 1.00 0.00 C ATOM 553 C LEU A 34 8.607 -7.120 -4.925 1.00 0.00 C ATOM 554 O LEU A 34 8.931 -8.219 -5.389 1.00 0.00 O ATOM 555 CB LEU A 34 8.819 -5.155 -6.468 1.00 0.00 C ATOM 556 CG LEU A 34 8.187 -4.161 -7.451 1.00 0.00 C ATOM 557 CD1 LEU A 34 9.243 -3.244 -8.035 1.00 0.00 C ATOM 558 CD2 LEU A 34 7.445 -4.898 -8.558 1.00 0.00 C ATOM 0 H LEU A 34 7.111 -4.379 -4.856 1.00 0.00 H new ATOM 0 HA LEU A 34 7.289 -6.638 -6.541 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.356 -4.591 -5.705 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.558 -5.749 -7.006 1.00 0.00 H new ATOM 0 HG LEU A 34 7.467 -3.551 -6.905 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.775 -2.546 -8.730 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.726 -2.687 -7.232 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.988 -3.838 -8.564 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.004 -4.175 -9.244 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.142 -5.536 -9.101 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.657 -5.511 -8.122 1.00 0.00 H new ATOM 570 N TYR A 35 8.878 -6.753 -3.675 1.00 0.00 N ATOM 571 CA TYR A 35 9.556 -7.637 -2.754 1.00 0.00 C ATOM 572 C TYR A 35 8.666 -8.818 -2.382 1.00 0.00 C ATOM 573 O TYR A 35 9.081 -9.975 -2.468 1.00 0.00 O ATOM 574 CB TYR A 35 10.001 -6.884 -1.489 1.00 0.00 C ATOM 575 CG TYR A 35 10.478 -7.798 -0.375 1.00 0.00 C ATOM 576 CD1 TYR A 35 11.693 -8.465 -0.464 1.00 0.00 C ATOM 577 CD2 TYR A 35 9.698 -8.002 0.758 1.00 0.00 C ATOM 578 CE1 TYR A 35 12.117 -9.312 0.545 1.00 0.00 C ATOM 579 CE2 TYR A 35 10.117 -8.841 1.770 1.00 0.00 C ATOM 580 CZ TYR A 35 11.323 -9.495 1.659 1.00 0.00 C ATOM 581 OH TYR A 35 11.734 -10.340 2.663 1.00 0.00 O ATOM 0 H TYR A 35 8.634 -5.843 -3.283 1.00 0.00 H new ATOM 0 HA TYR A 35 10.446 -8.018 -3.255 1.00 0.00 H new ATOM 0 HB2 TYR A 35 10.803 -6.194 -1.750 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.169 -6.282 -1.123 1.00 0.00 H new ATOM 0 HD1 TYR A 35 12.316 -8.320 -1.334 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.748 -7.495 0.847 1.00 0.00 H new ATOM 0 HE1 TYR A 35 13.063 -9.826 0.461 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.501 -8.984 2.646 1.00 0.00 H new ATOM 0 HH TYR A 35 11.060 -10.355 3.374 1.00 0.00 H new ATOM 591 N LEU A 36 7.427 -8.520 -1.972 1.00 0.00 N ATOM 592 CA LEU A 36 6.475 -9.535 -1.549 1.00 0.00 C ATOM 593 C LEU A 36 6.162 -10.480 -2.705 1.00 0.00 C ATOM 594 O LEU A 36 5.977 -11.679 -2.507 1.00 0.00 O ATOM 595 CB LEU A 36 5.191 -8.839 -1.032 1.00 0.00 C ATOM 596 CG LEU A 36 4.267 -9.644 -0.092 1.00 0.00 C ATOM 597 CD1 LEU A 36 3.511 -10.727 -0.840 1.00 0.00 C ATOM 598 CD2 LEU A 36 5.059 -10.240 1.067 1.00 0.00 C ATOM 0 H LEU A 36 7.064 -7.568 -1.927 1.00 0.00 H new ATOM 0 HA LEU A 36 6.903 -10.130 -0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.489 -7.929 -0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.604 -8.532 -1.898 1.00 0.00 H new ATOM 0 HG LEU A 36 3.530 -8.951 0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.872 -11.271 -0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.897 -10.272 -1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.221 -11.417 -1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.387 -10.802 1.716 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.829 -10.906 0.677 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.528 -9.438 1.638 1.00 0.00 H new ATOM 610 N GLN A 37 6.117 -9.930 -3.916 1.00 0.00 N ATOM 611 CA GLN A 37 5.849 -10.720 -5.108 1.00 0.00 C ATOM 612 C GLN A 37 6.953 -11.770 -5.291 1.00 0.00 C ATOM 613 O GLN A 37 6.702 -12.885 -5.759 1.00 0.00 O ATOM 614 CB GLN A 37 5.761 -9.809 -6.332 1.00 0.00 C ATOM 615 CG GLN A 37 5.130 -10.461 -7.550 1.00 0.00 C ATOM 616 CD GLN A 37 5.048 -9.515 -8.729 1.00 0.00 C ATOM 617 OE1 GLN A 37 5.959 -9.452 -9.552 1.00 0.00 O ATOM 618 NE2 GLN A 37 3.965 -8.771 -8.817 1.00 0.00 N ATOM 0 H GLN A 37 6.264 -8.937 -4.095 1.00 0.00 H new ATOM 0 HA GLN A 37 4.894 -11.233 -4.994 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.185 -8.922 -6.070 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.764 -9.472 -6.593 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.711 -11.339 -7.831 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.129 -10.809 -7.296 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.231 -8.853 -8.113 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.860 -8.113 -9.589 1.00 0.00 H new ATOM 627 N HIS A 38 8.173 -11.410 -4.896 1.00 0.00 N ATOM 628 CA HIS A 38 9.291 -12.341 -4.948 1.00 0.00 C ATOM 629 C HIS A 38 9.090 -13.448 -3.924 1.00 0.00 C ATOM 630 O HIS A 38 9.328 -14.621 -4.204 1.00 0.00 O ATOM 631 CB HIS A 38 10.617 -11.629 -4.700 1.00 0.00 C ATOM 632 CG HIS A 38 11.211 -11.045 -5.936 1.00 0.00 C ATOM 633 ND1 HIS A 38 10.766 -9.877 -6.503 1.00 0.00 N ATOM 634 CD2 HIS A 38 12.211 -11.489 -6.731 1.00 0.00 C ATOM 635 CE1 HIS A 38 11.458 -9.630 -7.589 1.00 0.00 C ATOM 636 NE2 HIS A 38 12.343 -10.589 -7.750 1.00 0.00 N ATOM 0 H HIS A 38 8.409 -10.484 -4.539 1.00 0.00 H new ATOM 0 HA HIS A 38 9.326 -12.775 -5.947 1.00 0.00 H new ATOM 0 HB2 HIS A 38 10.464 -10.836 -3.968 1.00 0.00 H new ATOM 0 HB3 HIS A 38 11.324 -12.334 -4.263 1.00 0.00 H new ATOM 0 HD1 HIS A 38 10.015 -9.293 -6.137 1.00 0.00 H new ATOM 0 HD2 HIS A 38 12.795 -12.386 -6.587 1.00 0.00 H new ATOM 0 HE1 HIS A 38 11.323 -8.781 -8.242 1.00 0.00 H new ATOM 645 N GLN A 39 8.650 -13.058 -2.727 1.00 0.00 N ATOM 646 CA GLN A 39 8.332 -14.013 -1.670 1.00 0.00 C ATOM 647 C GLN A 39 7.248 -14.980 -2.130 1.00 0.00 C ATOM 648 O GLN A 39 7.304 -16.174 -1.850 1.00 0.00 O ATOM 649 CB GLN A 39 7.901 -13.285 -0.395 1.00 0.00 C ATOM 650 CG GLN A 39 9.032 -12.536 0.292 1.00 0.00 C ATOM 651 CD GLN A 39 10.084 -13.471 0.871 1.00 0.00 C ATOM 652 OE1 GLN A 39 9.778 -14.586 1.294 1.00 0.00 O ATOM 653 NE2 GLN A 39 11.325 -13.026 0.894 1.00 0.00 N ATOM 0 H GLN A 39 8.506 -12.082 -2.467 1.00 0.00 H new ATOM 0 HA GLN A 39 9.231 -14.587 -1.446 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.106 -12.580 -0.640 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.480 -14.010 0.302 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.504 -11.862 -0.423 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.622 -11.918 1.090 1.00 0.00 H new ATOM 0 HE21 GLN A 39 11.540 -12.096 0.534 1.00 0.00 H new ATOM 0 HE22 GLN A 39 12.070 -13.612 1.271 1.00 0.00 H new ATOM 662 N LEU A 40 6.240 -14.436 -2.814 1.00 0.00 N ATOM 663 CA LEU A 40 5.185 -15.233 -3.429 1.00 0.00 C ATOM 664 C LEU A 40 5.782 -16.332 -4.307 1.00 0.00 C ATOM 665 O LEU A 40 5.355 -17.487 -4.254 1.00 0.00 O ATOM 666 CB LEU A 40 4.273 -14.328 -4.264 1.00 0.00 C ATOM 667 CG LEU A 40 3.284 -15.039 -5.189 1.00 0.00 C ATOM 668 CD1 LEU A 40 2.290 -15.860 -4.390 1.00 0.00 C ATOM 669 CD2 LEU A 40 2.569 -14.031 -6.071 1.00 0.00 C ATOM 0 H LEU A 40 6.135 -13.431 -2.955 1.00 0.00 H new ATOM 0 HA LEU A 40 4.599 -15.705 -2.641 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.709 -13.689 -3.585 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.900 -13.674 -4.870 1.00 0.00 H new ATOM 0 HG LEU A 40 3.842 -15.722 -5.829 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.598 -16.356 -5.070 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.824 -16.609 -3.806 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.733 -15.206 -3.719 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.868 -14.551 -6.724 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.025 -13.322 -5.446 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.300 -13.495 -6.677 1.00 0.00 H new ATOM 681 N ASP A 41 6.775 -15.962 -5.107 1.00 0.00 N ATOM 682 CA ASP A 41 7.458 -16.919 -5.974 1.00 0.00 C ATOM 683 C ASP A 41 8.097 -18.022 -5.143 1.00 0.00 C ATOM 684 O ASP A 41 8.058 -19.198 -5.504 1.00 0.00 O ATOM 685 CB ASP A 41 8.515 -16.227 -6.832 1.00 0.00 C ATOM 686 CG ASP A 41 9.379 -17.214 -7.597 1.00 0.00 C ATOM 687 OD1 ASP A 41 8.831 -17.986 -8.412 1.00 0.00 O ATOM 688 OD2 ASP A 41 10.610 -17.225 -7.376 1.00 0.00 O ATOM 0 H ASP A 41 7.126 -15.007 -5.174 1.00 0.00 H new ATOM 0 HA ASP A 41 6.716 -17.360 -6.639 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.024 -15.556 -7.537 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.150 -15.611 -6.195 1.00 0.00 H new ATOM 693 N GLU A 42 8.652 -17.625 -4.007 1.00 0.00 N ATOM 694 CA GLU A 42 9.287 -18.545 -3.086 1.00 0.00 C ATOM 695 C GLU A 42 8.258 -19.521 -2.523 1.00 0.00 C ATOM 696 O GLU A 42 8.523 -20.713 -2.396 1.00 0.00 O ATOM 697 CB GLU A 42 9.965 -17.763 -1.951 1.00 0.00 C ATOM 698 CG GLU A 42 10.556 -18.624 -0.847 1.00 0.00 C ATOM 699 CD GLU A 42 11.662 -19.527 -1.335 1.00 0.00 C ATOM 700 OE1 GLU A 42 12.702 -19.009 -1.775 1.00 0.00 O ATOM 701 OE2 GLU A 42 11.511 -20.760 -1.248 1.00 0.00 O ATOM 0 H GLU A 42 8.673 -16.652 -3.701 1.00 0.00 H new ATOM 0 HA GLU A 42 10.047 -19.116 -3.620 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.758 -17.148 -2.376 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.235 -17.083 -1.511 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.942 -17.979 -0.058 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.766 -19.231 -0.405 1.00 0.00 H new ATOM 708 N LEU A 43 7.075 -19.020 -2.195 1.00 0.00 N ATOM 709 CA LEU A 43 6.026 -19.858 -1.655 1.00 0.00 C ATOM 710 C LEU A 43 5.536 -20.859 -2.696 1.00 0.00 C ATOM 711 O LEU A 43 5.135 -21.961 -2.361 1.00 0.00 O ATOM 712 CB LEU A 43 4.864 -19.010 -1.159 1.00 0.00 C ATOM 713 CG LEU A 43 3.769 -19.783 -0.431 1.00 0.00 C ATOM 714 CD1 LEU A 43 4.273 -20.318 0.891 1.00 0.00 C ATOM 715 CD2 LEU A 43 2.551 -18.920 -0.233 1.00 0.00 C ATOM 0 H LEU A 43 6.823 -18.037 -2.295 1.00 0.00 H new ATOM 0 HA LEU A 43 6.441 -20.412 -0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.253 -18.243 -0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.420 -18.495 -2.011 1.00 0.00 H new ATOM 0 HG LEU A 43 3.485 -20.634 -1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.474 -20.865 1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.116 -20.987 0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.593 -19.488 1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.782 -19.490 0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.818 -18.045 0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.171 -18.600 -1.203 1.00 0.00 H new ATOM 727 N ASN A 44 5.571 -20.460 -3.965 1.00 0.00 N ATOM 728 CA ASN A 44 5.122 -21.320 -5.063 1.00 0.00 C ATOM 729 C ASN A 44 5.949 -22.589 -5.125 1.00 0.00 C ATOM 730 O ASN A 44 5.439 -23.661 -5.416 1.00 0.00 O ATOM 731 CB ASN A 44 5.208 -20.576 -6.402 1.00 0.00 C ATOM 732 CG ASN A 44 3.944 -19.806 -6.742 1.00 0.00 C ATOM 733 OD1 ASN A 44 3.035 -20.337 -7.380 1.00 0.00 O ATOM 734 ND2 ASN A 44 3.874 -18.561 -6.322 1.00 0.00 N ATOM 0 H ASN A 44 5.907 -19.544 -4.262 1.00 0.00 H new ATOM 0 HA ASN A 44 4.083 -21.589 -4.875 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.050 -19.884 -6.372 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.413 -21.294 -7.196 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.045 -18.001 -6.523 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.648 -18.156 -5.796 1.00 0.00 H new ATOM 741 N GLU A 45 7.224 -22.447 -4.846 1.00 0.00 N ATOM 742 CA GLU A 45 8.134 -23.572 -4.877 1.00 0.00 C ATOM 743 C GLU A 45 8.228 -24.272 -3.514 1.00 0.00 C ATOM 744 O GLU A 45 8.263 -25.499 -3.442 1.00 0.00 O ATOM 745 CB GLU A 45 9.518 -23.143 -5.391 1.00 0.00 C ATOM 746 CG GLU A 45 10.088 -21.917 -4.700 1.00 0.00 C ATOM 747 CD GLU A 45 11.377 -21.444 -5.325 1.00 0.00 C ATOM 748 OE1 GLU A 45 12.452 -21.935 -4.930 1.00 0.00 O ATOM 749 OE2 GLU A 45 11.327 -20.577 -6.219 1.00 0.00 O ATOM 0 H GLU A 45 7.658 -21.559 -4.594 1.00 0.00 H new ATOM 0 HA GLU A 45 7.729 -24.303 -5.577 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.213 -23.973 -5.265 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.450 -22.944 -6.461 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.355 -21.111 -4.735 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.261 -22.145 -3.648 1.00 0.00 H new ATOM 756 N ASN A 46 8.254 -23.494 -2.440 1.00 0.00 N ATOM 757 CA ASN A 46 8.400 -24.044 -1.086 1.00 0.00 C ATOM 758 C ASN A 46 7.077 -24.643 -0.551 1.00 0.00 C ATOM 759 O ASN A 46 7.096 -25.641 0.163 1.00 0.00 O ATOM 760 CB ASN A 46 8.937 -22.960 -0.139 1.00 0.00 C ATOM 761 CG ASN A 46 9.294 -23.488 1.237 1.00 0.00 C ATOM 762 OD1 ASN A 46 9.593 -24.664 1.408 1.00 0.00 O ATOM 763 ND2 ASN A 46 9.296 -22.607 2.221 1.00 0.00 N ATOM 0 H ASN A 46 8.176 -22.478 -2.474 1.00 0.00 H new ATOM 0 HA ASN A 46 9.116 -24.865 -1.134 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.820 -22.503 -0.585 1.00 0.00 H new ATOM 0 HB3 ASN A 46 8.189 -22.174 -0.036 1.00 0.00 H new ATOM 0 HD21 ASN A 46 9.553 -22.897 3.165 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.041 -21.637 2.037 1.00 0.00 H new ATOM 770 N LYS A 47 5.938 -24.031 -0.918 1.00 0.00 N ATOM 771 CA LYS A 47 4.584 -24.470 -0.463 1.00 0.00 C ATOM 772 C LYS A 47 4.445 -24.535 1.082 1.00 0.00 C ATOM 773 O LYS A 47 3.496 -25.118 1.597 1.00 0.00 O ATOM 774 CB LYS A 47 4.237 -25.833 -1.074 1.00 0.00 C ATOM 775 CG LYS A 47 4.078 -25.807 -2.598 1.00 0.00 C ATOM 776 CD LYS A 47 2.837 -25.018 -3.047 1.00 0.00 C ATOM 777 CE LYS A 47 2.749 -24.942 -4.567 1.00 0.00 C ATOM 778 NZ LYS A 47 2.863 -26.276 -5.215 1.00 0.00 N ATOM 0 H LYS A 47 5.917 -23.220 -1.536 1.00 0.00 H new ATOM 0 HA LYS A 47 3.882 -23.712 -0.811 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.018 -26.547 -0.812 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.311 -26.195 -0.628 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.968 -25.364 -3.045 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.009 -26.829 -2.970 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.939 -25.493 -2.652 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.874 -24.011 -2.632 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.801 -24.485 -4.850 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.540 -24.292 -4.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.597 -26.199 -6.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.844 -26.615 -5.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.228 -26.949 -4.739 1.00 0.00 H new ATOM 792 N SER A 48 5.376 -23.922 1.794 1.00 0.00 N ATOM 793 CA SER A 48 5.349 -23.912 3.260 1.00 0.00 C ATOM 794 C SER A 48 4.128 -23.168 3.791 1.00 0.00 C ATOM 795 O SER A 48 3.930 -21.995 3.486 1.00 0.00 O ATOM 796 CB SER A 48 6.631 -23.287 3.813 1.00 0.00 C ATOM 797 OG SER A 48 6.573 -23.121 5.229 1.00 0.00 O ATOM 0 H SER A 48 6.165 -23.421 1.385 1.00 0.00 H new ATOM 0 HA SER A 48 5.284 -24.946 3.597 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.482 -23.917 3.556 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.796 -22.319 3.340 1.00 0.00 H new ATOM 0 HG SER A 48 5.954 -23.778 5.610 1.00 0.00 H new ATOM 803 N LYS A 49 3.317 -23.853 4.593 1.00 0.00 N ATOM 804 CA LYS A 49 2.128 -23.247 5.184 1.00 0.00 C ATOM 805 C LYS A 49 2.499 -22.086 6.106 1.00 0.00 C ATOM 806 O LYS A 49 1.823 -21.060 6.125 1.00 0.00 O ATOM 807 CB LYS A 49 1.267 -24.295 5.943 1.00 0.00 C ATOM 808 CG LYS A 49 2.013 -25.092 7.011 1.00 0.00 C ATOM 809 CD LYS A 49 2.644 -26.355 6.436 1.00 0.00 C ATOM 810 CE LYS A 49 3.442 -27.106 7.488 1.00 0.00 C ATOM 811 NZ LYS A 49 4.033 -28.364 6.957 1.00 0.00 N ATOM 0 H LYS A 49 3.462 -24.830 4.849 1.00 0.00 H new ATOM 0 HA LYS A 49 1.527 -22.853 4.364 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.428 -23.782 6.414 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.847 -24.992 5.218 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.788 -24.468 7.455 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.324 -25.362 7.811 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.864 -27.004 6.037 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.296 -26.091 5.603 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.238 -26.464 7.864 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.795 -27.340 8.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.314 -28.977 7.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.330 -28.857 6.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.868 -28.139 6.380 1.00 0.00 H new ATOM 825 N GLU A 50 3.562 -22.258 6.882 1.00 0.00 N ATOM 826 CA GLU A 50 4.046 -21.205 7.766 1.00 0.00 C ATOM 827 C GLU A 50 4.437 -19.979 6.955 1.00 0.00 C ATOM 828 O GLU A 50 4.080 -18.850 7.306 1.00 0.00 O ATOM 829 CB GLU A 50 5.250 -21.689 8.584 1.00 0.00 C ATOM 830 CG GLU A 50 5.094 -23.095 9.155 1.00 0.00 C ATOM 831 CD GLU A 50 5.668 -24.172 8.244 1.00 0.00 C ATOM 832 OE1 GLU A 50 5.139 -24.371 7.132 1.00 0.00 O ATOM 833 OE2 GLU A 50 6.656 -24.827 8.643 1.00 0.00 O ATOM 0 H GLU A 50 4.107 -23.120 6.917 1.00 0.00 H new ATOM 0 HA GLU A 50 3.242 -20.942 8.453 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.138 -21.662 7.953 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.421 -20.993 9.405 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.589 -23.145 10.125 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.037 -23.297 9.326 1.00 0.00 H new ATOM 840 N LEU A 51 5.162 -20.203 5.873 1.00 0.00 N ATOM 841 CA LEU A 51 5.552 -19.118 4.991 1.00 0.00 C ATOM 842 C LEU A 51 4.301 -18.452 4.419 1.00 0.00 C ATOM 843 O LEU A 51 4.227 -17.230 4.323 1.00 0.00 O ATOM 844 CB LEU A 51 6.447 -19.638 3.859 1.00 0.00 C ATOM 845 CG LEU A 51 7.006 -18.577 2.907 1.00 0.00 C ATOM 846 CD1 LEU A 51 7.931 -17.620 3.643 1.00 0.00 C ATOM 847 CD2 LEU A 51 7.728 -19.233 1.742 1.00 0.00 C ATOM 0 H LEU A 51 5.492 -21.124 5.585 1.00 0.00 H new ATOM 0 HA LEU A 51 6.121 -18.383 5.561 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.284 -20.177 4.302 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.877 -20.359 3.274 1.00 0.00 H new ATOM 0 HG LEU A 51 6.170 -18.000 2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.315 -16.876 2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.379 -17.120 4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.763 -18.177 4.073 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.118 -18.463 1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.552 -19.839 2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.032 -19.868 1.194 1.00 0.00 H new ATOM 859 N GLN A 52 3.317 -19.276 4.073 1.00 0.00 N ATOM 860 CA GLN A 52 2.031 -18.799 3.575 1.00 0.00 C ATOM 861 C GLN A 52 1.398 -17.804 4.548 1.00 0.00 C ATOM 862 O GLN A 52 1.035 -16.688 4.161 1.00 0.00 O ATOM 863 CB GLN A 52 1.087 -19.998 3.342 1.00 0.00 C ATOM 864 CG GLN A 52 -0.397 -19.663 3.174 1.00 0.00 C ATOM 865 CD GLN A 52 -0.696 -18.862 1.929 1.00 0.00 C ATOM 866 OE1 GLN A 52 0.095 -18.047 1.500 1.00 0.00 O ATOM 867 NE2 GLN A 52 -1.839 -19.108 1.337 1.00 0.00 N ATOM 0 H GLN A 52 3.388 -20.292 4.130 1.00 0.00 H new ATOM 0 HA GLN A 52 2.196 -18.281 2.630 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.422 -20.530 2.452 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.191 -20.685 4.182 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.970 -20.590 3.146 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.736 -19.104 4.046 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.477 -19.801 1.728 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.090 -18.607 0.485 1.00 0.00 H new ATOM 876 N GLU A 53 1.283 -18.204 5.810 1.00 0.00 N ATOM 877 CA GLU A 53 0.675 -17.362 6.828 1.00 0.00 C ATOM 878 C GLU A 53 1.401 -16.028 6.973 1.00 0.00 C ATOM 879 O GLU A 53 0.766 -14.982 7.032 1.00 0.00 O ATOM 880 CB GLU A 53 0.624 -18.087 8.173 1.00 0.00 C ATOM 881 CG GLU A 53 -0.224 -19.344 8.169 1.00 0.00 C ATOM 882 CD GLU A 53 -0.722 -19.696 9.551 1.00 0.00 C ATOM 883 OE1 GLU A 53 0.080 -20.183 10.378 1.00 0.00 O ATOM 884 OE2 GLU A 53 -1.924 -19.471 9.825 1.00 0.00 O ATOM 0 H GLU A 53 1.605 -19.110 6.151 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.344 -17.150 6.503 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.639 -18.348 8.471 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.236 -17.403 8.928 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.075 -19.205 7.502 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.360 -20.174 7.772 1.00 0.00 H new ATOM 891 N LYS A 54 2.719 -16.071 7.019 1.00 0.00 N ATOM 892 CA LYS A 54 3.519 -14.855 7.166 1.00 0.00 C ATOM 893 C LYS A 54 3.344 -13.919 5.968 1.00 0.00 C ATOM 894 O LYS A 54 3.164 -12.710 6.132 1.00 0.00 O ATOM 895 CB LYS A 54 4.996 -15.207 7.353 1.00 0.00 C ATOM 896 CG LYS A 54 5.282 -16.006 8.616 1.00 0.00 C ATOM 897 CD LYS A 54 4.869 -15.231 9.862 1.00 0.00 C ATOM 898 CE LYS A 54 5.177 -16.002 11.133 1.00 0.00 C ATOM 899 NZ LYS A 54 4.800 -15.233 12.343 1.00 0.00 N ATOM 0 H LYS A 54 3.264 -16.931 6.957 1.00 0.00 H new ATOM 0 HA LYS A 54 3.164 -14.331 8.053 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.336 -15.777 6.489 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.579 -14.286 7.377 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.745 -16.954 8.579 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.345 -16.243 8.667 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.388 -14.273 9.883 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.802 -15.014 9.818 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.641 -16.951 11.123 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.241 -16.237 11.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.024 -15.790 13.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.330 -14.339 12.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.780 -15.030 12.322 1.00 0.00 H new ATOM 913 N ILE A 55 3.379 -14.489 4.777 1.00 0.00 N ATOM 914 CA ILE A 55 3.256 -13.705 3.554 1.00 0.00 C ATOM 915 C ILE A 55 1.890 -13.008 3.460 1.00 0.00 C ATOM 916 O ILE A 55 1.820 -11.793 3.254 1.00 0.00 O ATOM 917 CB ILE A 55 3.503 -14.559 2.283 1.00 0.00 C ATOM 918 CG1 ILE A 55 4.941 -15.086 2.268 1.00 0.00 C ATOM 919 CG2 ILE A 55 3.232 -13.737 1.027 1.00 0.00 C ATOM 920 CD1 ILE A 55 5.260 -15.961 1.074 1.00 0.00 C ATOM 0 H ILE A 55 3.491 -15.492 4.627 1.00 0.00 H new ATOM 0 HA ILE A 55 4.032 -12.942 3.604 1.00 0.00 H new ATOM 0 HB ILE A 55 2.818 -15.407 2.299 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.628 -14.240 2.280 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.119 -15.654 3.181 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.410 -14.351 0.145 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.196 -13.398 1.030 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.896 -12.873 1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.296 -16.295 1.134 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.599 -16.827 1.071 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.116 -15.391 0.156 1.00 0.00 H new ATOM 932 N ILE A 56 0.815 -13.768 3.635 1.00 0.00 N ATOM 933 CA ILE A 56 -0.529 -13.202 3.528 1.00 0.00 C ATOM 934 C ILE A 56 -0.823 -12.216 4.678 1.00 0.00 C ATOM 935 O ILE A 56 -1.490 -11.201 4.474 1.00 0.00 O ATOM 936 CB ILE A 56 -1.628 -14.310 3.457 1.00 0.00 C ATOM 937 CG1 ILE A 56 -2.997 -13.691 3.139 1.00 0.00 C ATOM 938 CG2 ILE A 56 -1.690 -15.113 4.754 1.00 0.00 C ATOM 939 CD1 ILE A 56 -4.102 -14.712 2.951 1.00 0.00 C ATOM 0 H ILE A 56 0.843 -14.765 3.849 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.559 -12.647 2.590 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.361 -14.995 2.653 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.275 -13.013 3.946 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.912 -13.090 2.233 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.464 -15.876 4.673 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.727 -15.591 4.932 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.923 -14.446 5.584 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.038 -14.199 2.730 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.848 -15.375 2.124 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.216 -15.297 3.864 1.00 0.00 H new ATOM 951 N ARG A 57 -0.303 -12.507 5.868 1.00 0.00 N ATOM 952 CA ARG A 57 -0.507 -11.638 7.032 1.00 0.00 C ATOM 953 C ARG A 57 0.176 -10.288 6.841 1.00 0.00 C ATOM 954 O ARG A 57 -0.438 -9.239 7.063 1.00 0.00 O ATOM 955 CB ARG A 57 0.013 -12.311 8.308 1.00 0.00 C ATOM 956 CG ARG A 57 -1.067 -12.863 9.231 1.00 0.00 C ATOM 957 CD ARG A 57 -1.808 -14.042 8.621 1.00 0.00 C ATOM 958 NE ARG A 57 -2.790 -14.604 9.557 1.00 0.00 N ATOM 959 CZ ARG A 57 -2.947 -15.911 9.803 1.00 0.00 C ATOM 960 NH1 ARG A 57 -2.219 -16.807 9.147 1.00 0.00 N ATOM 961 NH2 ARG A 57 -3.835 -16.315 10.703 1.00 0.00 N ATOM 0 H ARG A 57 0.262 -13.335 6.055 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.579 -11.469 7.132 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.679 -13.126 8.025 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.611 -11.589 8.864 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.613 -13.171 10.173 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.779 -12.072 9.465 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.314 -13.723 7.710 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.093 -14.814 8.335 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.396 -13.952 10.055 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.537 -16.501 8.453 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.342 -17.802 9.337 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.398 -15.630 11.207 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -3.955 -17.311 10.890 1.00 0.00 H new ATOM 975 N GLU A 58 1.434 -10.304 6.418 1.00 0.00 N ATOM 976 CA GLU A 58 2.164 -9.061 6.212 1.00 0.00 C ATOM 977 C GLU A 58 1.611 -8.273 5.036 1.00 0.00 C ATOM 978 O GLU A 58 1.586 -7.044 5.060 1.00 0.00 O ATOM 979 CB GLU A 58 3.664 -9.299 6.047 1.00 0.00 C ATOM 980 CG GLU A 58 4.461 -9.089 7.328 1.00 0.00 C ATOM 981 CD GLU A 58 4.071 -10.038 8.438 1.00 0.00 C ATOM 982 OE1 GLU A 58 3.049 -9.789 9.119 1.00 0.00 O ATOM 983 OE2 GLU A 58 4.797 -11.033 8.660 1.00 0.00 O ATOM 0 H GLU A 58 1.963 -11.152 6.214 1.00 0.00 H new ATOM 0 HA GLU A 58 2.022 -8.464 7.113 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.825 -10.317 5.692 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.047 -8.629 5.277 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.522 -9.211 7.111 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.321 -8.064 7.670 1.00 0.00 H new ATOM 990 N LEU A 59 1.151 -8.972 4.014 1.00 0.00 N ATOM 991 CA LEU A 59 0.578 -8.316 2.854 1.00 0.00 C ATOM 992 C LEU A 59 -0.679 -7.550 3.258 1.00 0.00 C ATOM 993 O LEU A 59 -0.869 -6.390 2.884 1.00 0.00 O ATOM 994 CB LEU A 59 0.253 -9.341 1.762 1.00 0.00 C ATOM 995 CG LEU A 59 -0.288 -8.773 0.445 1.00 0.00 C ATOM 996 CD1 LEU A 59 0.716 -7.821 -0.187 1.00 0.00 C ATOM 997 CD2 LEU A 59 -0.628 -9.900 -0.513 1.00 0.00 C ATOM 0 H LEU A 59 1.163 -9.991 3.964 1.00 0.00 H new ATOM 0 HA LEU A 59 1.307 -7.611 2.454 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.157 -9.910 1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.479 -10.045 2.159 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.197 -8.212 0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.310 -7.431 -1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.914 -6.995 0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.645 -8.354 -0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.011 -9.483 -1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.268 -10.485 -0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.386 -10.543 -0.065 1.00 0.00 H new ATOM 1009 N ASP A 60 -1.518 -8.206 4.047 1.00 0.00 N ATOM 1010 CA ASP A 60 -2.778 -7.632 4.509 1.00 0.00 C ATOM 1011 C ASP A 60 -2.566 -6.377 5.358 1.00 0.00 C ATOM 1012 O ASP A 60 -3.191 -5.341 5.109 1.00 0.00 O ATOM 1013 CB ASP A 60 -3.575 -8.672 5.297 1.00 0.00 C ATOM 1014 CG ASP A 60 -4.883 -8.125 5.832 1.00 0.00 C ATOM 1015 OD1 ASP A 60 -5.765 -7.756 5.023 1.00 0.00 O ATOM 1016 OD2 ASP A 60 -5.045 -8.083 7.063 1.00 0.00 O ATOM 0 H ASP A 60 -1.346 -9.152 4.386 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.342 -7.335 3.625 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.780 -9.529 4.655 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.970 -9.034 6.129 1.00 0.00 H new ATOM 1021 N VAL A 61 -1.671 -6.460 6.346 1.00 0.00 N ATOM 1022 CA VAL A 61 -1.418 -5.326 7.239 1.00 0.00 C ATOM 1023 C VAL A 61 -0.868 -4.112 6.467 1.00 0.00 C ATOM 1024 O VAL A 61 -1.233 -2.964 6.749 1.00 0.00 O ATOM 1025 CB VAL A 61 -0.468 -5.702 8.420 1.00 0.00 C ATOM 1026 CG1 VAL A 61 0.915 -6.078 7.928 1.00 0.00 C ATOM 1027 CG2 VAL A 61 -0.388 -4.574 9.437 1.00 0.00 C ATOM 0 H VAL A 61 -1.115 -7.291 6.547 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.381 -5.051 7.669 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.893 -6.577 8.911 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.547 -6.333 8.779 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.843 -6.936 7.260 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.352 -5.236 7.391 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.280 -4.862 10.249 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.005 -3.675 8.954 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.382 -4.375 9.838 1.00 0.00 H new ATOM 1037 N VAL A 62 -0.023 -4.369 5.474 1.00 0.00 N ATOM 1038 CA VAL A 62 0.532 -3.296 4.658 1.00 0.00 C ATOM 1039 C VAL A 62 -0.543 -2.731 3.739 1.00 0.00 C ATOM 1040 O VAL A 62 -0.620 -1.522 3.525 1.00 0.00 O ATOM 1041 CB VAL A 62 1.751 -3.768 3.823 1.00 0.00 C ATOM 1042 CG1 VAL A 62 2.255 -2.647 2.922 1.00 0.00 C ATOM 1043 CG2 VAL A 62 2.867 -4.246 4.737 1.00 0.00 C ATOM 0 H VAL A 62 0.291 -5.305 5.216 1.00 0.00 H new ATOM 0 HA VAL A 62 0.882 -2.517 5.335 1.00 0.00 H new ATOM 0 HB VAL A 62 1.431 -4.599 3.194 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.110 -3.000 2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.460 -2.342 2.242 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.556 -1.796 3.533 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.715 -4.574 4.135 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.178 -3.430 5.389 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.509 -5.078 5.344 1.00 0.00 H new ATOM 1053 N CYS A 63 -1.401 -3.598 3.241 1.00 0.00 N ATOM 1054 CA CYS A 63 -2.471 -3.170 2.367 1.00 0.00 C ATOM 1055 C CYS A 63 -3.436 -2.265 3.133 1.00 0.00 C ATOM 1056 O CYS A 63 -3.913 -1.262 2.606 1.00 0.00 O ATOM 1057 CB CYS A 63 -3.214 -4.373 1.781 1.00 0.00 C ATOM 1058 SG CYS A 63 -4.476 -3.938 0.558 1.00 0.00 S ATOM 0 H CYS A 63 -1.377 -4.601 3.427 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.039 -2.608 1.539 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.490 -5.043 1.318 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.686 -4.926 2.593 1.00 0.00 H new ATOM 0 HG CYS A 63 -5.047 -5.021 0.120 1.00 0.00 H new ATOM 1064 N ALA A 64 -3.696 -2.612 4.392 1.00 0.00 N ATOM 1065 CA ALA A 64 -4.593 -1.847 5.242 1.00 0.00 C ATOM 1066 C ALA A 64 -4.026 -0.468 5.566 1.00 0.00 C ATOM 1067 O ALA A 64 -4.729 0.539 5.448 1.00 0.00 O ATOM 1068 CB ALA A 64 -4.848 -2.611 6.529 1.00 0.00 C ATOM 0 H ALA A 64 -3.290 -3.430 4.846 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.528 -1.704 4.701 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.521 -2.037 7.166 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.302 -3.574 6.296 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.904 -2.772 7.050 1.00 0.00 H new ATOM 1074 N MET A 65 -2.764 -0.416 5.978 1.00 0.00 N ATOM 1075 CA MET A 65 -2.145 0.866 6.326 1.00 0.00 C ATOM 1076 C MET A 65 -2.086 1.778 5.102 1.00 0.00 C ATOM 1077 O MET A 65 -2.292 2.991 5.205 1.00 0.00 O ATOM 1078 CB MET A 65 -0.741 0.668 6.917 1.00 0.00 C ATOM 1079 CG MET A 65 0.309 0.268 5.896 1.00 0.00 C ATOM 1080 SD MET A 65 1.958 0.116 6.594 1.00 0.00 S ATOM 1081 CE MET A 65 1.700 -1.234 7.727 1.00 0.00 C ATOM 0 H MET A 65 -2.156 -1.228 6.079 1.00 0.00 H new ATOM 0 HA MET A 65 -2.763 1.340 7.088 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.428 1.593 7.401 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.789 -0.097 7.692 1.00 0.00 H new ATOM 0 HG2 MET A 65 0.024 -0.683 5.445 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.328 1.008 5.095 1.00 0.00 H new ATOM 0 HE1 MET A 65 2.522 -1.945 7.639 1.00 0.00 H new ATOM 0 HE2 MET A 65 1.660 -0.851 8.747 1.00 0.00 H new ATOM 0 HE3 MET A 65 0.761 -1.734 7.490 1.00 0.00 H new ATOM 1091 N ILE A 66 -1.821 1.179 3.945 1.00 0.00 N ATOM 1092 CA ILE A 66 -1.767 1.912 2.693 1.00 0.00 C ATOM 1093 C ILE A 66 -3.142 2.484 2.340 1.00 0.00 C ATOM 1094 O ILE A 66 -3.253 3.645 1.955 1.00 0.00 O ATOM 1095 CB ILE A 66 -1.203 1.020 1.530 1.00 0.00 C ATOM 1096 CG1 ILE A 66 0.309 1.251 1.342 1.00 0.00 C ATOM 1097 CG2 ILE A 66 -1.940 1.257 0.218 1.00 0.00 C ATOM 1098 CD1 ILE A 66 1.147 0.996 2.580 1.00 0.00 C ATOM 0 H ILE A 66 -1.640 0.180 3.853 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.079 2.747 2.823 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.367 -0.018 1.818 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.665 0.605 0.540 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.468 2.279 1.017 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.516 0.619 -0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.996 1.020 0.346 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.836 2.302 -0.074 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.197 1.184 2.354 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.824 1.661 3.381 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.023 -0.040 2.896 1.00 0.00 H new ATOM 1110 N GLU A 67 -4.192 1.684 2.535 1.00 0.00 N ATOM 1111 CA GLU A 67 -5.553 2.112 2.231 1.00 0.00 C ATOM 1112 C GLU A 67 -5.987 3.242 3.151 1.00 0.00 C ATOM 1113 O GLU A 67 -6.632 4.196 2.719 1.00 0.00 O ATOM 1114 CB GLU A 67 -6.523 0.933 2.353 1.00 0.00 C ATOM 1115 CG GLU A 67 -6.534 0.011 1.146 1.00 0.00 C ATOM 1116 CD GLU A 67 -7.363 0.560 0.002 1.00 0.00 C ATOM 1117 OE1 GLU A 67 -6.985 1.591 -0.577 1.00 0.00 O ATOM 1118 OE2 GLU A 67 -8.415 -0.039 -0.311 1.00 0.00 O ATOM 0 H GLU A 67 -4.123 0.735 2.903 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.569 2.480 1.205 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.263 0.352 3.238 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.530 1.320 2.510 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.511 -0.148 0.805 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.927 -0.962 1.440 1.00 0.00 H new ATOM 1125 N GLY A 68 -5.608 3.140 4.424 1.00 0.00 N ATOM 1126 CA GLY A 68 -5.980 4.148 5.390 1.00 0.00 C ATOM 1127 C GLY A 68 -5.357 5.486 5.085 1.00 0.00 C ATOM 1128 O GLY A 68 -6.031 6.519 5.111 1.00 0.00 O ATOM 0 H GLY A 68 -5.049 2.374 4.799 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.065 4.250 5.407 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.675 3.825 6.385 1.00 0.00 H new ATOM 1132 N ALA A 69 -4.061 5.468 4.791 1.00 0.00 N ATOM 1133 CA ALA A 69 -3.340 6.683 4.463 1.00 0.00 C ATOM 1134 C ALA A 69 -3.827 7.247 3.139 1.00 0.00 C ATOM 1135 O ALA A 69 -3.981 8.459 2.999 1.00 0.00 O ATOM 1136 CB ALA A 69 -1.842 6.421 4.419 1.00 0.00 C ATOM 0 H ALA A 69 -3.492 4.622 4.774 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.533 7.421 5.242 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.318 7.344 4.171 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.506 6.063 5.392 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.627 5.667 3.662 1.00 0.00 H new ATOM 1142 N GLN A 70 -4.087 6.367 2.177 1.00 0.00 N ATOM 1143 CA GLN A 70 -4.565 6.800 0.872 1.00 0.00 C ATOM 1144 C GLN A 70 -5.913 7.482 0.990 1.00 0.00 C ATOM 1145 O GLN A 70 -6.112 8.556 0.450 1.00 0.00 O ATOM 1146 CB GLN A 70 -4.652 5.649 -0.126 1.00 0.00 C ATOM 1147 CG GLN A 70 -3.320 5.271 -0.753 1.00 0.00 C ATOM 1148 CD GLN A 70 -3.472 4.267 -1.881 1.00 0.00 C ATOM 1149 OE1 GLN A 70 -4.604 4.313 -2.568 1.00 0.00 O flip ATOM 1150 NE2 GLN A 70 -2.579 3.468 -2.141 1.00 0.00 N flip ATOM 0 H GLN A 70 -3.975 5.358 2.277 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.833 7.513 0.493 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.065 4.775 0.378 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.350 5.920 -0.918 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -2.833 6.169 -1.134 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -2.666 4.855 0.014 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.722 3.464 -1.588 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -2.694 2.808 -2.910 1.00 0.00 H new ATOM 1159 N GLY A 71 -6.820 6.867 1.745 1.00 0.00 N ATOM 1160 CA GLY A 71 -8.158 7.406 1.884 1.00 0.00 C ATOM 1161 C GLY A 71 -8.163 8.745 2.588 1.00 0.00 C ATOM 1162 O GLY A 71 -8.873 9.680 2.185 1.00 0.00 O ATOM 0 H GLY A 71 -6.650 6.005 2.262 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.609 7.514 0.898 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.776 6.702 2.441 1.00 0.00 H new ATOM 1166 N ALA A 72 -7.354 8.835 3.637 1.00 0.00 N ATOM 1167 CA ALA A 72 -7.241 10.044 4.432 1.00 0.00 C ATOM 1168 C ALA A 72 -6.632 11.169 3.613 1.00 0.00 C ATOM 1169 O ALA A 72 -7.213 12.249 3.486 1.00 0.00 O ATOM 1170 CB ALA A 72 -6.415 9.785 5.683 1.00 0.00 C ATOM 0 H ALA A 72 -6.760 8.070 3.957 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.242 10.348 4.738 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.341 10.703 6.267 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.895 9.011 6.282 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.416 9.455 5.398 1.00 0.00 H new ATOM 1176 N LEU A 73 -5.452 10.902 3.051 1.00 0.00 N ATOM 1177 CA LEU A 73 -4.737 11.879 2.247 1.00 0.00 C ATOM 1178 C LEU A 73 -5.583 12.337 1.064 1.00 0.00 C ATOM 1179 O LEU A 73 -5.618 13.516 0.756 1.00 0.00 O ATOM 1180 CB LEU A 73 -3.402 11.302 1.762 1.00 0.00 C ATOM 1181 CG LEU A 73 -2.453 12.287 1.074 1.00 0.00 C ATOM 1182 CD1 LEU A 73 -2.031 13.390 2.035 1.00 0.00 C ATOM 1183 CD2 LEU A 73 -1.235 11.560 0.526 1.00 0.00 C ATOM 0 H LEU A 73 -4.972 10.007 3.143 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.533 12.748 2.873 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.885 10.868 2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.612 10.487 1.069 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.984 12.747 0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.357 14.078 1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.913 13.932 2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.521 12.950 2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.572 12.276 0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.705 11.071 1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.554 10.811 -0.199 1.00 0.00 H new ATOM 1195 N GLU A 74 -6.267 11.387 0.419 1.00 0.00 N ATOM 1196 CA GLU A 74 -7.148 11.686 -0.712 1.00 0.00 C ATOM 1197 C GLU A 74 -8.173 12.749 -0.341 1.00 0.00 C ATOM 1198 O GLU A 74 -8.297 13.761 -1.016 1.00 0.00 O ATOM 1199 CB GLU A 74 -7.840 10.404 -1.189 1.00 0.00 C ATOM 1200 CG GLU A 74 -7.139 9.719 -2.350 1.00 0.00 C ATOM 1201 CD GLU A 74 -7.475 10.354 -3.683 1.00 0.00 C ATOM 1202 OE1 GLU A 74 -7.393 11.593 -3.798 1.00 0.00 O ATOM 1203 OE2 GLU A 74 -7.854 9.619 -4.615 1.00 0.00 O ATOM 0 H GLU A 74 -6.226 10.398 0.664 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.543 12.082 -1.527 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.905 9.706 -0.354 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.862 10.643 -1.485 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.061 9.758 -2.194 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.421 8.666 -2.371 1.00 0.00 H new ATOM 1210 N ARG A 75 -8.880 12.525 0.756 1.00 0.00 N ATOM 1211 CA ARG A 75 -9.907 13.462 1.221 1.00 0.00 C ATOM 1212 C ARG A 75 -9.298 14.851 1.474 1.00 0.00 C ATOM 1213 O ARG A 75 -9.899 15.878 1.136 1.00 0.00 O ATOM 1214 CB ARG A 75 -10.547 12.934 2.507 1.00 0.00 C ATOM 1215 CG ARG A 75 -11.777 13.708 2.956 1.00 0.00 C ATOM 1216 CD ARG A 75 -12.292 13.202 4.294 1.00 0.00 C ATOM 1217 NE ARG A 75 -12.576 11.764 4.276 1.00 0.00 N ATOM 1218 CZ ARG A 75 -12.638 10.999 5.369 1.00 0.00 C ATOM 1219 NH1 ARG A 75 -12.472 11.539 6.572 1.00 0.00 N ATOM 1220 NH2 ARG A 75 -12.875 9.694 5.262 1.00 0.00 N ATOM 0 H ARG A 75 -8.765 11.701 1.347 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.670 13.553 0.448 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.823 11.890 2.360 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.805 12.958 3.305 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.533 14.767 3.035 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.561 13.616 2.204 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.554 13.414 5.068 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.199 13.745 4.560 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.736 11.320 3.372 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.297 12.540 6.662 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.520 10.953 7.405 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.010 9.274 4.342 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -12.921 9.114 6.100 1.00 0.00 H new ATOM 1234 N GLU A 76 -8.117 14.869 2.059 1.00 0.00 N ATOM 1235 CA GLU A 76 -7.425 16.118 2.364 1.00 0.00 C ATOM 1236 C GLU A 76 -6.950 16.818 1.102 1.00 0.00 C ATOM 1237 O GLU A 76 -7.287 17.982 0.875 1.00 0.00 O ATOM 1238 CB GLU A 76 -6.243 15.856 3.292 1.00 0.00 C ATOM 1239 CG GLU A 76 -6.653 15.444 4.689 1.00 0.00 C ATOM 1240 CD GLU A 76 -7.428 16.530 5.394 1.00 0.00 C ATOM 1241 OE1 GLU A 76 -8.664 16.600 5.217 1.00 0.00 O ATOM 1242 OE2 GLU A 76 -6.808 17.321 6.128 1.00 0.00 O ATOM 0 H GLU A 76 -7.609 14.029 2.337 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.137 16.775 2.864 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.618 15.074 2.860 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.632 16.756 3.352 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.261 14.541 4.637 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.764 15.197 5.270 1.00 0.00 H new ATOM 1249 N LEU A 77 -6.179 16.122 0.282 1.00 0.00 N ATOM 1250 CA LEU A 77 -5.658 16.712 -0.943 1.00 0.00 C ATOM 1251 C LEU A 77 -6.770 17.169 -1.859 1.00 0.00 C ATOM 1252 O LEU A 77 -6.598 18.093 -2.630 1.00 0.00 O ATOM 1253 CB LEU A 77 -4.661 15.765 -1.670 1.00 0.00 C ATOM 1254 CG LEU A 77 -5.178 14.385 -2.121 1.00 0.00 C ATOM 1255 CD1 LEU A 77 -6.039 14.491 -3.368 1.00 0.00 C ATOM 1256 CD2 LEU A 77 -4.016 13.440 -2.370 1.00 0.00 C ATOM 0 H LEU A 77 -5.901 15.153 0.440 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.094 17.599 -0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.286 16.286 -2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.810 15.604 -1.009 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.798 13.987 -1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.385 13.499 -3.656 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.898 15.130 -3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.452 14.920 -4.180 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.398 12.470 -2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.374 13.850 -3.149 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.441 13.321 -1.452 1.00 0.00 H new ATOM 1268 N LYS A 78 -7.943 16.574 -1.718 1.00 0.00 N ATOM 1269 CA LYS A 78 -9.048 16.914 -2.579 1.00 0.00 C ATOM 1270 C LYS A 78 -9.577 18.315 -2.268 1.00 0.00 C ATOM 1271 O LYS A 78 -10.322 18.900 -3.048 1.00 0.00 O ATOM 1272 CB LYS A 78 -10.142 15.866 -2.511 1.00 0.00 C ATOM 1273 CG LYS A 78 -9.822 14.648 -3.373 1.00 0.00 C ATOM 1274 CD LYS A 78 -9.947 14.955 -4.860 1.00 0.00 C ATOM 1275 CE LYS A 78 -9.014 14.080 -5.700 1.00 0.00 C ATOM 1276 NZ LYS A 78 -9.152 12.633 -5.392 1.00 0.00 N ATOM 0 H LYS A 78 -8.147 15.860 -1.019 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.683 16.927 -3.606 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.279 15.552 -1.476 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.085 16.304 -2.839 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.810 14.306 -3.157 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.496 13.832 -3.113 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.978 14.798 -5.178 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.716 16.006 -5.035 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.223 14.244 -6.757 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.982 14.387 -5.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.937 12.075 -6.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.490 12.375 -4.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.126 12.435 -5.085 1.00 0.00 H new ATOM 1290 N ARG A 79 -9.187 18.835 -1.109 1.00 0.00 N ATOM 1291 CA ARG A 79 -9.580 20.172 -0.690 1.00 0.00 C ATOM 1292 C ARG A 79 -8.642 21.204 -1.317 1.00 0.00 C ATOM 1293 O ARG A 79 -9.003 22.362 -1.499 1.00 0.00 O ATOM 1294 CB ARG A 79 -9.549 20.278 0.846 1.00 0.00 C ATOM 1295 CG ARG A 79 -9.983 21.635 1.409 1.00 0.00 C ATOM 1296 CD ARG A 79 -11.498 21.852 1.322 1.00 0.00 C ATOM 1297 NE ARG A 79 -11.990 21.902 -0.060 1.00 0.00 N ATOM 1298 CZ ARG A 79 -12.283 23.029 -0.723 1.00 0.00 C ATOM 1299 NH1 ARG A 79 -12.120 24.216 -0.144 1.00 0.00 N ATOM 1300 NH2 ARG A 79 -12.742 22.970 -1.965 1.00 0.00 N ATOM 0 H ARG A 79 -8.594 18.345 -0.439 1.00 0.00 H new ATOM 0 HA ARG A 79 -10.598 20.369 -1.027 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.196 19.505 1.262 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -8.537 20.066 1.190 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -9.668 21.710 2.450 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -9.474 22.430 0.864 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.006 21.048 1.854 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.756 22.782 1.828 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.118 21.017 -0.550 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -11.769 24.273 0.812 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -12.346 25.069 -0.656 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.873 22.065 -2.418 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.964 23.829 -2.468 1.00 0.00 H new ATOM 1392 N LEU A 85 -1.954 22.010 -12.590 1.00 0.00 N ATOM 1393 CA LEU A 85 -0.864 21.124 -12.210 1.00 0.00 C ATOM 1394 C LEU A 85 -1.283 20.235 -11.048 1.00 0.00 C ATOM 1395 O LEU A 85 -1.130 19.018 -11.110 1.00 0.00 O ATOM 1396 CB LEU A 85 0.401 21.941 -11.862 1.00 0.00 C ATOM 1397 CG LEU A 85 1.731 21.155 -11.729 1.00 0.00 C ATOM 1398 CD1 LEU A 85 1.806 20.396 -10.413 1.00 0.00 C ATOM 1399 CD2 LEU A 85 1.910 20.199 -12.903 1.00 0.00 C ATOM 0 HA LEU A 85 -0.624 20.480 -13.056 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.533 22.704 -12.629 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.220 22.462 -10.922 1.00 0.00 H new ATOM 0 HG LEU A 85 2.543 21.882 -11.740 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.752 19.858 -10.357 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.739 21.099 -9.583 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.981 19.686 -10.355 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.849 19.657 -12.791 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.082 19.490 -12.924 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.927 20.765 -13.834 1.00 0.00 H new ATOM 1411 N GLU A 86 -1.819 20.848 -9.994 1.00 0.00 N ATOM 1412 CA GLU A 86 -2.263 20.102 -8.818 1.00 0.00 C ATOM 1413 C GLU A 86 -3.281 19.048 -9.198 1.00 0.00 C ATOM 1414 O GLU A 86 -3.152 17.892 -8.814 1.00 0.00 O ATOM 1415 CB GLU A 86 -2.858 21.041 -7.773 1.00 0.00 C ATOM 1416 CG GLU A 86 -1.833 21.853 -7.004 1.00 0.00 C ATOM 1417 CD GLU A 86 -1.013 21.004 -6.047 1.00 0.00 C ATOM 1418 OE1 GLU A 86 -1.506 20.712 -4.935 1.00 0.00 O ATOM 1419 OE2 GLU A 86 0.136 20.650 -6.387 1.00 0.00 O ATOM 0 H GLU A 86 -1.956 21.857 -9.930 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.390 19.608 -8.392 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.548 21.724 -8.267 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.443 20.454 -7.066 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.165 22.348 -7.708 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.342 22.637 -6.443 1.00 0.00 H new ATOM 1426 N ARG A 87 -4.267 19.441 -9.992 1.00 0.00 N ATOM 1427 CA ARG A 87 -5.321 18.527 -10.390 1.00 0.00 C ATOM 1428 C ARG A 87 -4.733 17.341 -11.173 1.00 0.00 C ATOM 1429 O ARG A 87 -5.098 16.183 -10.946 1.00 0.00 O ATOM 1430 CB ARG A 87 -6.402 19.271 -11.205 1.00 0.00 C ATOM 1431 CG ARG A 87 -7.727 18.526 -11.315 1.00 0.00 C ATOM 1432 CD ARG A 87 -7.659 17.425 -12.347 1.00 0.00 C ATOM 1433 NE ARG A 87 -8.682 16.411 -12.141 1.00 0.00 N ATOM 1434 CZ ARG A 87 -8.735 15.277 -12.828 1.00 0.00 C ATOM 1435 NH1 ARG A 87 -7.876 15.066 -13.814 1.00 0.00 N ATOM 1436 NH2 ARG A 87 -9.653 14.360 -12.541 1.00 0.00 N ATOM 0 H ARG A 87 -4.357 20.384 -10.371 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.801 18.128 -9.496 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.582 20.243 -10.746 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.019 19.458 -12.208 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.989 18.102 -10.346 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.519 19.227 -11.581 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.772 17.855 -13.342 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.675 16.958 -12.312 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.395 16.581 -11.432 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.178 15.774 -14.042 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.913 14.196 -14.345 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.322 14.526 -11.789 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.689 13.490 -13.073 1.00 0.00 H new ATOM 1450 N PHE A 88 -3.810 17.650 -12.085 1.00 0.00 N ATOM 1451 CA PHE A 88 -3.136 16.639 -12.901 1.00 0.00 C ATOM 1452 C PHE A 88 -2.290 15.712 -12.026 1.00 0.00 C ATOM 1453 O PHE A 88 -2.300 14.492 -12.200 1.00 0.00 O ATOM 1454 CB PHE A 88 -2.252 17.334 -13.954 1.00 0.00 C ATOM 1455 CG PHE A 88 -1.402 16.406 -14.779 1.00 0.00 C ATOM 1456 CD1 PHE A 88 -1.925 15.761 -15.885 1.00 0.00 C ATOM 1457 CD2 PHE A 88 -0.069 16.191 -14.453 1.00 0.00 C ATOM 1458 CE1 PHE A 88 -1.141 14.919 -16.648 1.00 0.00 C ATOM 1459 CE2 PHE A 88 0.719 15.348 -15.212 1.00 0.00 C ATOM 1460 CZ PHE A 88 0.181 14.712 -16.312 1.00 0.00 C ATOM 0 H PHE A 88 -3.509 18.605 -12.278 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.889 16.033 -13.405 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.893 17.908 -14.623 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.601 18.046 -13.448 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.959 15.918 -16.155 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.357 16.690 -13.595 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -1.563 14.422 -17.509 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.753 15.187 -14.945 1.00 0.00 H new ATOM 0 HZ PHE A 88 0.794 14.053 -16.909 1.00 0.00 H new ATOM 1470 N ASN A 89 -1.574 16.306 -11.085 1.00 0.00 N ATOM 1471 CA ASN A 89 -0.700 15.568 -10.177 1.00 0.00 C ATOM 1472 C ASN A 89 -1.521 14.564 -9.362 1.00 0.00 C ATOM 1473 O ASN A 89 -1.182 13.383 -9.276 1.00 0.00 O ATOM 1474 CB ASN A 89 0.029 16.546 -9.240 1.00 0.00 C ATOM 1475 CG ASN A 89 1.274 15.952 -8.605 1.00 0.00 C ATOM 1476 OD1 ASN A 89 1.375 14.746 -8.410 1.00 0.00 O ATOM 1477 ND2 ASN A 89 2.231 16.805 -8.272 1.00 0.00 N ATOM 0 H ASN A 89 -1.580 17.314 -10.926 1.00 0.00 H new ATOM 0 HA ASN A 89 0.042 15.023 -10.760 1.00 0.00 H new ATOM 0 HB2 ASN A 89 0.306 17.438 -9.801 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -0.656 16.864 -8.454 1.00 0.00 H new ATOM 0 HD21 ASN A 89 3.089 16.465 -7.837 1.00 0.00 H new ATOM 0 HD22 ASN A 89 2.110 17.802 -8.450 1.00 0.00 H new ATOM 1484 N TYR A 90 -2.611 15.054 -8.781 1.00 0.00 N ATOM 1485 CA TYR A 90 -3.531 14.225 -7.996 1.00 0.00 C ATOM 1486 C TYR A 90 -4.020 13.033 -8.811 1.00 0.00 C ATOM 1487 O TYR A 90 -3.998 11.894 -8.338 1.00 0.00 O ATOM 1488 CB TYR A 90 -4.732 15.061 -7.536 1.00 0.00 C ATOM 1489 CG TYR A 90 -4.406 16.165 -6.551 1.00 0.00 C ATOM 1490 CD1 TYR A 90 -3.094 16.483 -6.226 1.00 0.00 C ATOM 1491 CD2 TYR A 90 -5.415 16.885 -5.949 1.00 0.00 C ATOM 1492 CE1 TYR A 90 -2.802 17.489 -5.333 1.00 0.00 C ATOM 1493 CE2 TYR A 90 -5.134 17.889 -5.055 1.00 0.00 C ATOM 1494 CZ TYR A 90 -3.824 18.190 -4.748 1.00 0.00 C ATOM 1495 OH TYR A 90 -3.538 19.199 -3.859 1.00 0.00 O ATOM 0 H TYR A 90 -2.885 16.035 -8.838 1.00 0.00 H new ATOM 0 HA TYR A 90 -2.992 13.853 -7.125 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -5.203 15.505 -8.413 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -5.466 14.395 -7.082 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.287 15.930 -6.683 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.444 16.656 -6.184 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.775 17.724 -5.095 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -5.938 18.442 -4.593 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.895 19.819 -4.263 1.00 0.00 H new ATOM 1505 N GLU A 91 -4.448 13.307 -10.038 1.00 0.00 N ATOM 1506 CA GLU A 91 -4.936 12.267 -10.936 1.00 0.00 C ATOM 1507 C GLU A 91 -3.863 11.210 -11.174 1.00 0.00 C ATOM 1508 O GLU A 91 -4.144 10.012 -11.175 1.00 0.00 O ATOM 1509 CB GLU A 91 -5.379 12.868 -12.273 1.00 0.00 C ATOM 1510 CG GLU A 91 -5.886 11.809 -13.253 1.00 0.00 C ATOM 1511 CD GLU A 91 -6.327 12.373 -14.580 1.00 0.00 C ATOM 1512 OE1 GLU A 91 -5.485 12.499 -15.490 1.00 0.00 O ATOM 1513 OE2 GLU A 91 -7.528 12.673 -14.732 1.00 0.00 O ATOM 0 H GLU A 91 -4.467 14.246 -10.435 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.796 11.794 -10.462 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.167 13.600 -12.095 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.542 13.403 -12.722 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.097 11.077 -13.424 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.722 11.277 -12.799 1.00 0.00 H new ATOM 1520 N GLU A 92 -2.630 11.663 -11.343 1.00 0.00 N ATOM 1521 CA GLU A 92 -1.521 10.778 -11.641 1.00 0.00 C ATOM 1522 C GLU A 92 -1.197 9.888 -10.447 1.00 0.00 C ATOM 1523 O GLU A 92 -1.125 8.665 -10.581 1.00 0.00 O ATOM 1524 CB GLU A 92 -0.296 11.591 -12.064 1.00 0.00 C ATOM 1525 CG GLU A 92 0.517 10.961 -13.188 1.00 0.00 C ATOM 1526 CD GLU A 92 1.178 9.664 -12.796 1.00 0.00 C ATOM 1527 OE1 GLU A 92 2.099 9.690 -11.962 1.00 0.00 O ATOM 1528 OE2 GLU A 92 0.797 8.610 -13.354 1.00 0.00 O ATOM 0 H GLU A 92 -2.374 12.648 -11.277 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.810 10.130 -12.469 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.623 12.582 -12.379 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.350 11.730 -11.197 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.136 10.784 -14.043 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.282 11.666 -13.512 1.00 0.00 H new ATOM 1535 N ALA A 93 -1.024 10.498 -9.267 1.00 0.00 N ATOM 1536 CA ALA A 93 -0.721 9.746 -8.056 1.00 0.00 C ATOM 1537 C ALA A 93 -1.826 8.745 -7.757 1.00 0.00 C ATOM 1538 O ALA A 93 -1.563 7.611 -7.340 1.00 0.00 O ATOM 1539 CB ALA A 93 -0.528 10.693 -6.879 1.00 0.00 C ATOM 0 H ALA A 93 -1.090 11.507 -9.132 1.00 0.00 H new ATOM 0 HA ALA A 93 0.206 9.196 -8.215 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.302 10.117 -5.982 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.297 11.373 -7.091 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.441 11.268 -6.721 1.00 0.00 H new ATOM 1545 N GLN A 94 -3.068 9.170 -7.978 1.00 0.00 N ATOM 1546 CA GLN A 94 -4.219 8.307 -7.791 1.00 0.00 C ATOM 1547 C GLN A 94 -4.133 7.127 -8.751 1.00 0.00 C ATOM 1548 O GLN A 94 -4.400 5.997 -8.386 1.00 0.00 O ATOM 1549 CB GLN A 94 -5.516 9.094 -8.028 1.00 0.00 C ATOM 1550 CG GLN A 94 -6.785 8.280 -7.841 1.00 0.00 C ATOM 1551 CD GLN A 94 -8.038 9.079 -8.144 1.00 0.00 C ATOM 1552 OE1 GLN A 94 -8.501 9.118 -9.282 1.00 0.00 O ATOM 1553 NE2 GLN A 94 -8.601 9.708 -7.137 1.00 0.00 N ATOM 0 H GLN A 94 -3.298 10.114 -8.289 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.225 7.934 -6.767 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -5.540 9.945 -7.347 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -5.503 9.497 -9.041 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.750 7.405 -8.490 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -6.830 7.914 -6.815 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.188 9.653 -6.206 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.451 10.252 -7.286 1.00 0.00 H new ATOM 1562 N THR A 95 -3.718 7.411 -9.968 1.00 0.00 N ATOM 1563 CA THR A 95 -3.577 6.392 -10.987 1.00 0.00 C ATOM 1564 C THR A 95 -2.560 5.324 -10.567 1.00 0.00 C ATOM 1565 O THR A 95 -2.839 4.117 -10.666 1.00 0.00 O ATOM 1566 CB THR A 95 -3.165 7.009 -12.341 1.00 0.00 C ATOM 1567 OG1 THR A 95 -4.178 7.929 -12.777 1.00 0.00 O ATOM 1568 CG2 THR A 95 -2.962 5.934 -13.401 1.00 0.00 C ATOM 0 H THR A 95 -3.470 8.351 -10.278 1.00 0.00 H new ATOM 0 HA THR A 95 -4.551 5.916 -11.105 1.00 0.00 H new ATOM 0 HB THR A 95 -2.219 7.533 -12.203 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.099 8.766 -12.273 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.673 6.401 -14.342 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.177 5.249 -13.079 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.891 5.381 -13.541 1.00 0.00 H new ATOM 1576 N LEU A 96 -1.412 5.760 -10.046 1.00 0.00 N ATOM 1577 CA LEU A 96 -0.363 4.826 -9.658 1.00 0.00 C ATOM 1578 C LEU A 96 -0.767 4.031 -8.431 1.00 0.00 C ATOM 1579 O LEU A 96 -0.524 2.826 -8.356 1.00 0.00 O ATOM 1580 CB LEU A 96 0.960 5.547 -9.390 1.00 0.00 C ATOM 1581 CG LEU A 96 1.574 6.287 -10.581 1.00 0.00 C ATOM 1582 CD1 LEU A 96 2.877 6.949 -10.179 1.00 0.00 C ATOM 1583 CD2 LEU A 96 1.797 5.335 -11.746 1.00 0.00 C ATOM 0 H LEU A 96 -1.190 6.742 -9.886 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.221 4.141 -10.494 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.804 6.264 -8.584 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.683 4.815 -9.030 1.00 0.00 H new ATOM 0 HG LEU A 96 0.877 7.062 -10.900 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.300 7.471 -11.037 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.690 7.663 -9.377 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.579 6.190 -9.833 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.234 5.880 -12.583 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.474 4.537 -11.440 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.843 4.905 -12.052 1.00 0.00 H new ATOM 1595 N SER A 97 -1.391 4.702 -7.468 1.00 0.00 N ATOM 1596 CA SER A 97 -1.818 4.040 -6.250 1.00 0.00 C ATOM 1597 C SER A 97 -2.823 2.930 -6.552 1.00 0.00 C ATOM 1598 O SER A 97 -2.775 1.851 -5.962 1.00 0.00 O ATOM 1599 CB SER A 97 -2.373 5.047 -5.240 1.00 0.00 C ATOM 1600 OG SER A 97 -3.271 5.947 -5.854 1.00 0.00 O ATOM 0 H SER A 97 -1.609 5.697 -7.511 1.00 0.00 H new ATOM 0 HA SER A 97 -0.944 3.573 -5.796 1.00 0.00 H new ATOM 0 HB2 SER A 97 -2.881 4.516 -4.435 1.00 0.00 H new ATOM 0 HB3 SER A 97 -1.551 5.602 -4.787 1.00 0.00 H new ATOM 0 HG SER A 97 -3.580 5.571 -6.705 1.00 0.00 H new ATOM 1606 N LYS A 98 -3.729 3.207 -7.503 1.00 0.00 N ATOM 1607 CA LYS A 98 -4.726 2.234 -7.927 1.00 0.00 C ATOM 1608 C LYS A 98 -4.054 1.021 -8.554 1.00 0.00 C ATOM 1609 O LYS A 98 -4.527 -0.109 -8.408 1.00 0.00 O ATOM 1610 CB LYS A 98 -5.703 2.861 -8.932 1.00 0.00 C ATOM 1611 CG LYS A 98 -6.503 4.041 -8.397 1.00 0.00 C ATOM 1612 CD LYS A 98 -7.265 3.682 -7.142 1.00 0.00 C ATOM 1613 CE LYS A 98 -8.065 4.868 -6.620 1.00 0.00 C ATOM 1614 NZ LYS A 98 -8.855 4.524 -5.408 1.00 0.00 N ATOM 0 H LYS A 98 -3.785 4.102 -7.989 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.283 1.916 -7.046 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.141 3.188 -9.807 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.398 2.092 -9.269 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.829 4.872 -8.187 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.202 4.382 -9.161 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.938 2.850 -7.349 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.568 3.345 -6.375 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -7.386 5.688 -6.388 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.737 5.222 -7.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -9.383 5.361 -5.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.523 3.759 -5.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.213 4.211 -4.652 1.00 0.00 H new ATOM 1628 N ILE A 99 -2.959 1.262 -9.275 1.00 0.00 N ATOM 1629 CA ILE A 99 -2.192 0.180 -9.879 1.00 0.00 C ATOM 1630 C ILE A 99 -1.614 -0.722 -8.790 1.00 0.00 C ATOM 1631 O ILE A 99 -1.681 -1.948 -8.878 1.00 0.00 O ATOM 1632 CB ILE A 99 -1.040 0.714 -10.769 1.00 0.00 C ATOM 1633 CG1 ILE A 99 -1.604 1.596 -11.888 1.00 0.00 C ATOM 1634 CG2 ILE A 99 -0.239 -0.447 -11.353 1.00 0.00 C ATOM 1635 CD1 ILE A 99 -0.547 2.286 -12.726 1.00 0.00 C ATOM 0 H ILE A 99 -2.587 2.195 -9.453 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.873 -0.388 -10.512 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.372 1.317 -10.155 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -2.226 0.983 -12.540 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.253 2.352 -11.447 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.566 -0.057 -11.975 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.184 -1.041 -10.543 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.894 -1.073 -11.958 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.029 2.890 -13.495 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.061 2.928 -12.088 1.00 0.00 H new ATOM 0 HD13 ILE A 99 0.089 1.537 -13.199 1.00 0.00 H new ATOM 1647 N LEU A 100 -1.085 -0.089 -7.748 1.00 0.00 N ATOM 1648 CA LEU A 100 -0.485 -0.804 -6.631 1.00 0.00 C ATOM 1649 C LEU A 100 -1.524 -1.649 -5.903 1.00 0.00 C ATOM 1650 O LEU A 100 -1.283 -2.812 -5.598 1.00 0.00 O ATOM 1651 CB LEU A 100 0.181 0.170 -5.655 1.00 0.00 C ATOM 1652 CG LEU A 100 1.362 0.970 -6.209 1.00 0.00 C ATOM 1653 CD1 LEU A 100 1.901 1.921 -5.154 1.00 0.00 C ATOM 1654 CD2 LEU A 100 2.464 0.037 -6.696 1.00 0.00 C ATOM 0 H LEU A 100 -1.061 0.927 -7.655 1.00 0.00 H new ATOM 0 HA LEU A 100 0.279 -1.468 -7.034 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.574 0.872 -5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.524 -0.393 -4.787 1.00 0.00 H new ATOM 0 HG LEU A 100 1.009 1.556 -7.058 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.740 2.482 -5.565 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.115 2.613 -4.852 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.235 1.351 -4.287 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.294 0.626 -7.086 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.814 -0.577 -5.866 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.074 -0.606 -7.485 1.00 0.00 H new ATOM 1666 N LEU A 101 -2.687 -1.055 -5.646 1.00 0.00 N ATOM 1667 CA LEU A 101 -3.778 -1.744 -4.962 1.00 0.00 C ATOM 1668 C LEU A 101 -4.207 -2.981 -5.732 1.00 0.00 C ATOM 1669 O LEU A 101 -4.397 -4.053 -5.145 1.00 0.00 O ATOM 1670 CB LEU A 101 -4.976 -0.809 -4.780 1.00 0.00 C ATOM 1671 CG LEU A 101 -4.748 0.399 -3.871 1.00 0.00 C ATOM 1672 CD1 LEU A 101 -5.985 1.280 -3.841 1.00 0.00 C ATOM 1673 CD2 LEU A 101 -4.376 -0.054 -2.466 1.00 0.00 C ATOM 0 H LEU A 101 -2.899 -0.091 -5.903 1.00 0.00 H new ATOM 0 HA LEU A 101 -3.414 -2.051 -3.982 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.283 -0.448 -5.762 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.807 -1.389 -4.379 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.920 0.984 -4.272 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.807 2.136 -3.190 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -6.206 1.631 -4.849 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -6.831 0.706 -3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.217 0.819 -1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -5.183 -0.660 -2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.461 -0.645 -2.505 1.00 0.00 H new ATOM 1685 N LYS A 102 -4.352 -2.842 -7.041 1.00 0.00 N ATOM 1686 CA LYS A 102 -4.733 -3.963 -7.882 1.00 0.00 C ATOM 1687 C LYS A 102 -3.682 -5.060 -7.843 1.00 0.00 C ATOM 1688 O LYS A 102 -4.022 -6.237 -7.724 1.00 0.00 O ATOM 1689 CB LYS A 102 -4.985 -3.520 -9.324 1.00 0.00 C ATOM 1690 CG LYS A 102 -6.309 -2.799 -9.525 1.00 0.00 C ATOM 1691 CD LYS A 102 -6.583 -2.542 -10.999 1.00 0.00 C ATOM 1692 CE LYS A 102 -5.724 -1.416 -11.550 1.00 0.00 C ATOM 1693 NZ LYS A 102 -6.175 -0.089 -11.058 1.00 0.00 N ATOM 0 H LYS A 102 -4.212 -1.965 -7.542 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.665 -4.364 -7.483 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.174 -2.864 -9.639 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.957 -4.395 -9.973 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.117 -3.395 -9.102 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.295 -1.852 -8.985 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.394 -3.453 -11.567 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.636 -2.294 -11.134 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -4.685 -1.577 -11.262 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -5.759 -1.431 -12.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.693 0.662 -11.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -7.203 -0.002 -11.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -5.945 0.003 -10.048 1.00 0.00 H new ATOM 1707 N ASP A 103 -2.406 -4.690 -7.922 1.00 0.00 N ATOM 1708 CA ASP A 103 -1.350 -5.696 -7.908 1.00 0.00 C ATOM 1709 C ASP A 103 -1.283 -6.386 -6.549 1.00 0.00 C ATOM 1710 O ASP A 103 -0.983 -7.578 -6.469 1.00 0.00 O ATOM 1711 CB ASP A 103 0.007 -5.091 -8.264 1.00 0.00 C ATOM 1712 CG ASP A 103 0.964 -6.127 -8.837 1.00 0.00 C ATOM 1713 OD1 ASP A 103 1.482 -6.963 -8.075 1.00 0.00 O ATOM 1714 OD2 ASP A 103 1.182 -6.114 -10.073 1.00 0.00 O ATOM 0 H ASP A 103 -2.084 -3.725 -7.995 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.594 -6.439 -8.668 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -0.133 -4.288 -8.988 1.00 0.00 H new ATOM 0 HB3 ASP A 103 0.449 -4.644 -7.374 1.00 0.00 H new ATOM 1719 N LEU A 104 -1.582 -5.650 -5.469 1.00 0.00 N ATOM 1720 CA LEU A 104 -1.610 -6.245 -4.136 1.00 0.00 C ATOM 1721 C LEU A 104 -2.658 -7.344 -4.080 1.00 0.00 C ATOM 1722 O LEU A 104 -2.379 -8.463 -3.653 1.00 0.00 O ATOM 1723 CB LEU A 104 -1.935 -5.180 -3.068 1.00 0.00 C ATOM 1724 CG LEU A 104 -0.886 -4.085 -2.854 1.00 0.00 C ATOM 1725 CD1 LEU A 104 -1.411 -3.026 -1.898 1.00 0.00 C ATOM 1726 CD2 LEU A 104 0.403 -4.682 -2.318 1.00 0.00 C ATOM 0 H LEU A 104 -1.804 -4.655 -5.496 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.625 -6.664 -3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.877 -4.702 -3.338 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.097 -5.688 -2.117 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.679 -3.615 -3.815 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.653 -2.255 -1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.313 -2.576 -2.313 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.644 -3.486 -0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.138 -3.890 -2.172 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.207 -5.176 -1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.791 -5.410 -3.031 1.00 0.00 H new ATOM 1738 N LYS A 105 -3.868 -7.013 -4.522 1.00 0.00 N ATOM 1739 CA LYS A 105 -4.979 -7.963 -4.541 1.00 0.00 C ATOM 1740 C LYS A 105 -4.704 -9.138 -5.475 1.00 0.00 C ATOM 1741 O LYS A 105 -5.174 -10.251 -5.239 1.00 0.00 O ATOM 1742 CB LYS A 105 -6.281 -7.260 -4.919 1.00 0.00 C ATOM 1743 CG LYS A 105 -6.716 -6.219 -3.904 1.00 0.00 C ATOM 1744 CD LYS A 105 -8.075 -5.638 -4.242 1.00 0.00 C ATOM 1745 CE LYS A 105 -8.534 -4.656 -3.177 1.00 0.00 C ATOM 1746 NZ LYS A 105 -8.767 -5.322 -1.863 1.00 0.00 N ATOM 0 H LYS A 105 -4.106 -6.086 -4.875 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.083 -8.368 -3.534 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.159 -6.782 -5.891 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -7.070 -8.004 -5.027 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.750 -6.670 -2.912 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.978 -5.418 -3.865 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.028 -5.135 -5.208 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.804 -6.443 -4.337 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.784 -3.874 -3.059 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -9.453 -4.170 -3.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -9.312 -4.688 -1.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.299 -6.203 -2.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -7.853 -5.540 -1.417 1.00 0.00 H new ATOM 1760 N GLU A 106 -3.938 -8.894 -6.528 1.00 0.00 N ATOM 1761 CA GLU A 106 -3.565 -9.951 -7.455 1.00 0.00 C ATOM 1762 C GLU A 106 -2.577 -10.894 -6.774 1.00 0.00 C ATOM 1763 O GLU A 106 -2.656 -12.118 -6.915 1.00 0.00 O ATOM 1764 CB GLU A 106 -2.947 -9.349 -8.721 1.00 0.00 C ATOM 1765 CG GLU A 106 -2.515 -10.376 -9.757 1.00 0.00 C ATOM 1766 CD GLU A 106 -3.665 -11.207 -10.283 1.00 0.00 C ATOM 1767 OE1 GLU A 106 -4.455 -10.684 -11.095 1.00 0.00 O ATOM 1768 OE2 GLU A 106 -3.765 -12.398 -9.911 1.00 0.00 O ATOM 0 H GLU A 106 -3.563 -7.974 -6.761 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.454 -10.512 -7.743 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.669 -8.672 -9.177 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.082 -8.749 -8.439 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.034 -9.863 -10.590 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.769 -11.037 -9.316 1.00 0.00 H new ATOM 1775 N THR A 107 -1.668 -10.312 -6.010 1.00 0.00 N ATOM 1776 CA THR A 107 -0.686 -11.070 -5.269 1.00 0.00 C ATOM 1777 C THR A 107 -1.372 -11.866 -4.150 1.00 0.00 C ATOM 1778 O THR A 107 -1.122 -13.062 -3.991 1.00 0.00 O ATOM 1779 CB THR A 107 0.386 -10.131 -4.674 1.00 0.00 C ATOM 1780 OG1 THR A 107 0.973 -9.353 -5.729 1.00 0.00 O ATOM 1781 CG2 THR A 107 1.478 -10.924 -3.972 1.00 0.00 C ATOM 0 H THR A 107 -1.594 -9.302 -5.889 1.00 0.00 H new ATOM 0 HA THR A 107 -0.196 -11.766 -5.950 1.00 0.00 H new ATOM 0 HB THR A 107 -0.094 -9.479 -3.944 1.00 0.00 H new ATOM 0 HG1 THR A 107 0.383 -8.603 -5.949 1.00 0.00 H new ATOM 0 HG21 THR A 107 2.220 -10.238 -3.562 1.00 0.00 H new ATOM 0 HG22 THR A 107 1.040 -11.510 -3.164 1.00 0.00 H new ATOM 0 HG23 THR A 107 1.958 -11.593 -4.686 1.00 0.00 H new ATOM 1789 N GLU A 108 -2.233 -11.190 -3.376 1.00 0.00 N ATOM 1790 CA GLU A 108 -3.033 -11.836 -2.325 1.00 0.00 C ATOM 1791 C GLU A 108 -3.765 -13.052 -2.883 1.00 0.00 C ATOM 1792 O GLU A 108 -3.738 -14.135 -2.300 1.00 0.00 O ATOM 1793 CB GLU A 108 -4.050 -10.837 -1.767 1.00 0.00 C ATOM 1794 CG GLU A 108 -4.871 -11.379 -0.610 1.00 0.00 C ATOM 1795 CD GLU A 108 -6.050 -10.497 -0.273 1.00 0.00 C ATOM 1796 OE1 GLU A 108 -5.843 -9.398 0.270 1.00 0.00 O ATOM 1797 OE2 GLU A 108 -7.200 -10.901 -0.556 1.00 0.00 O ATOM 0 H GLU A 108 -2.394 -10.186 -3.460 1.00 0.00 H new ATOM 0 HA GLU A 108 -2.365 -12.164 -1.528 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.523 -9.942 -1.438 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -4.724 -10.534 -2.568 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -5.229 -12.378 -0.859 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.233 -11.479 0.268 1.00 0.00 H new ATOM 1804 N GLN A 109 -4.405 -12.854 -4.014 1.00 0.00 N ATOM 1805 CA GLN A 109 -5.119 -13.910 -4.699 1.00 0.00 C ATOM 1806 C GLN A 109 -4.191 -15.078 -5.037 1.00 0.00 C ATOM 1807 O GLN A 109 -4.554 -16.240 -4.867 1.00 0.00 O ATOM 1808 CB GLN A 109 -5.762 -13.343 -5.963 1.00 0.00 C ATOM 1809 CG GLN A 109 -6.304 -14.379 -6.923 1.00 0.00 C ATOM 1810 CD GLN A 109 -7.037 -13.743 -8.083 1.00 0.00 C ATOM 1811 OE1 GLN A 109 -8.247 -13.555 -8.029 1.00 0.00 O ATOM 1812 NE2 GLN A 109 -6.309 -13.375 -9.120 1.00 0.00 N ATOM 0 H GLN A 109 -4.445 -11.951 -4.487 1.00 0.00 H new ATOM 0 HA GLN A 109 -5.897 -14.296 -4.040 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -6.575 -12.678 -5.672 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -5.024 -12.735 -6.487 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -5.483 -14.988 -7.302 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -6.979 -15.050 -6.391 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -5.304 -13.550 -9.126 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -6.751 -12.916 -9.916 1.00 0.00 H new ATOM 1821 N LYS A 110 -2.989 -14.760 -5.491 1.00 0.00 N ATOM 1822 CA LYS A 110 -2.024 -15.778 -5.883 1.00 0.00 C ATOM 1823 C LYS A 110 -1.525 -16.562 -4.667 1.00 0.00 C ATOM 1824 O LYS A 110 -1.523 -17.803 -4.648 1.00 0.00 O ATOM 1825 CB LYS A 110 -0.831 -15.138 -6.583 1.00 0.00 C ATOM 1826 CG LYS A 110 -0.364 -15.888 -7.819 1.00 0.00 C ATOM 1827 CD LYS A 110 -1.120 -15.434 -9.056 1.00 0.00 C ATOM 1828 CE LYS A 110 -0.722 -14.018 -9.448 1.00 0.00 C ATOM 1829 NZ LYS A 110 -1.479 -13.527 -10.619 1.00 0.00 N ATOM 0 H LYS A 110 -2.656 -13.802 -5.598 1.00 0.00 H new ATOM 0 HA LYS A 110 -2.528 -16.463 -6.565 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -1.093 -14.119 -6.867 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.003 -15.070 -5.878 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.704 -15.727 -7.963 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.508 -16.959 -7.674 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -0.916 -16.115 -9.882 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.193 -15.475 -8.867 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -0.889 -13.349 -8.604 1.00 0.00 H new ATOM 0 HE3 LYS A 110 0.345 -13.991 -9.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.083 -12.618 -10.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -1.410 -14.219 -11.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.477 -13.398 -10.358 1.00 0.00 H new ATOM 1843 N VAL A 111 -1.120 -15.819 -3.645 1.00 0.00 N ATOM 1844 CA VAL A 111 -0.567 -16.410 -2.448 1.00 0.00 C ATOM 1845 C VAL A 111 -1.595 -17.317 -1.770 1.00 0.00 C ATOM 1846 O VAL A 111 -1.276 -18.426 -1.362 1.00 0.00 O ATOM 1847 CB VAL A 111 -0.015 -15.322 -1.465 1.00 0.00 C ATOM 1848 CG1 VAL A 111 -1.120 -14.540 -0.776 1.00 0.00 C ATOM 1849 CG2 VAL A 111 0.924 -15.931 -0.453 1.00 0.00 C ATOM 0 H VAL A 111 -1.167 -14.800 -3.628 1.00 0.00 H new ATOM 0 HA VAL A 111 0.282 -17.027 -2.741 1.00 0.00 H new ATOM 0 HB VAL A 111 0.544 -14.610 -2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.680 -13.801 -0.107 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.729 -14.034 -1.525 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -1.745 -15.223 -0.201 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.292 -15.153 0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.394 -16.687 0.126 1.00 0.00 H new ATOM 0 HG23 VAL A 111 1.765 -16.393 -0.969 1.00 0.00 H new ATOM 1859 N LYS A 112 -2.837 -16.852 -1.688 1.00 0.00 N ATOM 1860 CA LYS A 112 -3.903 -17.649 -1.114 1.00 0.00 C ATOM 1861 C LYS A 112 -4.278 -18.801 -2.048 1.00 0.00 C ATOM 1862 O LYS A 112 -4.896 -19.773 -1.628 1.00 0.00 O ATOM 1863 CB LYS A 112 -5.123 -16.778 -0.798 1.00 0.00 C ATOM 1864 CG LYS A 112 -6.023 -16.468 -1.987 1.00 0.00 C ATOM 1865 CD LYS A 112 -7.098 -15.467 -1.600 1.00 0.00 C ATOM 1866 CE LYS A 112 -8.206 -15.392 -2.642 1.00 0.00 C ATOM 1867 NZ LYS A 112 -8.908 -16.692 -2.801 1.00 0.00 N ATOM 0 H LYS A 112 -3.125 -15.929 -2.012 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.545 -18.077 -0.177 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -5.718 -17.277 -0.033 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -4.777 -15.837 -0.370 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -5.426 -16.069 -2.807 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -6.487 -17.386 -2.348 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -7.524 -15.746 -0.636 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -6.649 -14.482 -1.476 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -8.924 -14.625 -2.353 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.783 -15.088 -3.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.857 -16.528 -3.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -8.367 -17.302 -3.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -8.991 -17.157 -1.875 1.00 0.00 H new ATOM 1881 N ASP A 113 -3.895 -18.677 -3.316 1.00 0.00 N ATOM 1882 CA ASP A 113 -4.161 -19.723 -4.306 1.00 0.00 C ATOM 1883 C ASP A 113 -3.241 -20.926 -4.095 1.00 0.00 C ATOM 1884 O ASP A 113 -3.566 -22.048 -4.496 1.00 0.00 O ATOM 1885 CB ASP A 113 -4.012 -19.190 -5.735 1.00 0.00 C ATOM 1886 CG ASP A 113 -4.494 -20.177 -6.779 1.00 0.00 C ATOM 1887 OD1 ASP A 113 -5.717 -20.204 -7.052 1.00 0.00 O ATOM 1888 OD2 ASP A 113 -3.664 -20.927 -7.333 1.00 0.00 O ATOM 0 H ASP A 113 -3.400 -17.865 -3.684 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.193 -20.046 -4.167 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -4.573 -18.261 -5.832 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -2.965 -18.951 -5.922 1.00 0.00 H new ATOM 1893 N ILE A 114 -2.100 -20.700 -3.437 1.00 0.00 N ATOM 1894 CA ILE A 114 -1.164 -21.795 -3.148 1.00 0.00 C ATOM 1895 C ILE A 114 -1.737 -22.686 -2.038 1.00 0.00 C ATOM 1896 O ILE A 114 -2.060 -22.219 -0.941 1.00 0.00 O ATOM 1897 CB ILE A 114 0.261 -21.269 -2.738 1.00 0.00 C ATOM 1898 CG1 ILE A 114 1.163 -21.098 -3.965 1.00 0.00 C ATOM 1899 CG2 ILE A 114 0.932 -22.193 -1.734 1.00 0.00 C ATOM 1900 CD1 ILE A 114 0.705 -20.046 -4.930 1.00 0.00 C ATOM 0 H ILE A 114 -1.804 -19.785 -3.098 1.00 0.00 H new ATOM 0 HA ILE A 114 -1.042 -22.375 -4.063 1.00 0.00 H new ATOM 0 HB ILE A 114 0.116 -20.296 -2.268 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.170 -20.851 -3.629 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.227 -22.051 -4.489 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.914 -21.797 -1.475 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.319 -22.260 -0.835 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.045 -23.185 -2.171 1.00 0.00 H new ATOM 0 HD11 ILE A 114 1.401 -19.992 -5.767 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.289 -20.299 -5.300 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.669 -19.080 -4.426 1.00 0.00 H new ATOM 1912 N GLN A 115 -1.896 -23.962 -2.358 1.00 0.00 N ATOM 1913 CA GLN A 115 -2.416 -24.933 -1.406 1.00 0.00 C ATOM 1914 C GLN A 115 -1.346 -25.336 -0.385 1.00 0.00 C ATOM 1915 O GLN A 115 -0.286 -25.865 -0.742 1.00 0.00 O ATOM 1916 CB GLN A 115 -2.962 -26.172 -2.124 1.00 0.00 C ATOM 1917 CG GLN A 115 -1.944 -26.883 -2.995 1.00 0.00 C ATOM 1918 CD GLN A 115 -2.467 -28.186 -3.547 1.00 0.00 C ATOM 1919 OE1 GLN A 115 -3.045 -28.225 -4.629 1.00 0.00 O ATOM 1920 NE2 GLN A 115 -2.275 -29.257 -2.805 1.00 0.00 N ATOM 0 H GLN A 115 -1.671 -24.350 -3.274 1.00 0.00 H new ATOM 0 HA GLN A 115 -3.237 -24.458 -0.870 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -3.340 -26.873 -1.380 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -3.810 -25.876 -2.742 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -1.658 -26.231 -3.820 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -1.043 -27.074 -2.413 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -1.789 -29.178 -1.912 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -2.612 -30.165 -3.124 1.00 0.00 H new ATOM 1929 N THR A 116 -1.625 -25.085 0.874 1.00 0.00 N ATOM 1930 CA THR A 116 -0.703 -25.415 1.942 1.00 0.00 C ATOM 1931 C THR A 116 -1.383 -26.295 2.981 1.00 0.00 C ATOM 1932 O THR A 116 -2.607 -26.261 3.107 1.00 0.00 O ATOM 1933 CB THR A 116 -0.185 -24.139 2.624 1.00 0.00 C ATOM 1934 OG1 THR A 116 -1.294 -23.322 3.037 1.00 0.00 O ATOM 1935 CG2 THR A 116 0.699 -23.349 1.681 1.00 0.00 C ATOM 0 H THR A 116 -2.492 -24.649 1.188 1.00 0.00 H new ATOM 0 HA THR A 116 0.136 -25.955 1.504 1.00 0.00 H new ATOM 0 HB THR A 116 0.402 -24.429 3.495 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.999 -22.696 3.731 1.00 0.00 H new ATOM 0 HG21 THR A 116 1.055 -22.450 2.184 1.00 0.00 H new ATOM 0 HG22 THR A 116 1.551 -23.960 1.384 1.00 0.00 H new ATOM 0 HG23 THR A 116 0.128 -23.068 0.796 1.00 0.00 H new ATOM 1943 N GLN A 117 -0.608 -27.102 3.698 1.00 0.00 N ATOM 1944 CA GLN A 117 -1.169 -27.917 4.770 1.00 0.00 C ATOM 1945 C GLN A 117 -1.751 -27.041 5.870 1.00 0.00 C ATOM 1946 O GLN A 117 -0.988 -26.607 6.747 1.00 0.00 O ATOM 1947 CB GLN A 117 -0.125 -28.852 5.371 1.00 0.00 C ATOM 1948 CG GLN A 117 0.625 -29.690 4.363 1.00 0.00 C ATOM 1949 CD GLN A 117 1.583 -30.644 5.032 1.00 0.00 C ATOM 1950 OE1 GLN A 117 2.740 -30.306 5.289 1.00 0.00 O ATOM 1951 NE2 GLN A 117 1.110 -31.831 5.329 1.00 0.00 N ATOM 1952 OXT GLN A 117 -2.971 -26.797 5.858 1.00 0.00 O ATOM 0 H GLN A 117 0.397 -27.209 3.560 1.00 0.00 H new ATOM 0 HA GLN A 117 -1.963 -28.519 4.328 1.00 0.00 H new ATOM 0 HB2 GLN A 117 0.593 -28.258 5.936 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -0.617 -29.516 6.081 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -0.085 -30.253 3.757 1.00 0.00 H new ATOM 0 HG3 GLN A 117 1.175 -29.038 3.685 1.00 0.00 H new ATOM 0 HE21 GLN A 117 0.145 -32.068 5.098 1.00 0.00 H new ATOM 0 HE22 GLN A 117 1.707 -32.517 5.791 1.00 0.00 H new