USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 672 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 60 MET CE :methyl 178:sc= -1.41 (180deg=-1.4) USER MOD Set 1.2: A 64 TYR OH : rot 30:sc= -1.24 USER MOD Set 2.1: A 40 GLN : amide:sc= -0.246 X(o=-0.21,f=-0.57) USER MOD Set 2.2: A 93 LYS NZ :NH3+ -157:sc= 0.0374 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -4.26! C(o=-4.3!,f=-13!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -1.02 K(o=-1,f=-4.3!) USER MOD Single : A 48 SER OG : rot -59:sc= 0.00292 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.214 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= -2.77! USER MOD Single : A 66 THR OG1 : rot 118:sc= 1.26 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.0227 K(o=-0.023,f=-0.59) USER MOD Single : A 95 GLN : amide:sc= -1.06 K(o=-1.1,f=-2.2!) USER MOD Single : A 96 THR OG1 : rot 89:sc= 0.448 USER MOD Single : A 100 LYS NZ :NH3+ -128:sc= 0.116 (180deg=-0.531) USER MOD Single : A 103 GLN : amide:sc= -0.0139 K(o=-0.014,f=-0.53) USER MOD Single : A 104 LYS NZ :NH3+ -164:sc= 1.06 (180deg=0.819) USER MOD Single : A 106 SER OG : rot 180:sc= -1.29 USER MOD ----------------------------------------------------------------- ATOM 307 N HIS A 26 2.399 7.639 -5.483 1.00 0.00 N ATOM 308 CA HIS A 26 2.577 8.059 -4.103 1.00 0.00 C ATOM 309 C HIS A 26 3.237 6.934 -3.305 1.00 0.00 C ATOM 310 O HIS A 26 2.901 5.764 -3.480 1.00 0.00 O ATOM 311 CB HIS A 26 1.247 8.514 -3.498 1.00 0.00 C ATOM 312 CG HIS A 26 1.390 9.254 -2.189 1.00 0.00 C ATOM 313 ND1 HIS A 26 1.702 8.619 -0.999 1.00 0.00 N ATOM 314 CD2 HIS A 26 1.261 10.580 -1.896 1.00 0.00 C ATOM 315 CE1 HIS A 26 1.754 9.531 -0.040 1.00 0.00 C ATOM 316 NE2 HIS A 26 1.480 10.745 -0.597 1.00 0.00 N ATOM 0 HA HIS A 26 3.241 8.922 -4.065 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.735 9.157 -4.214 1.00 0.00 H new ATOM 0 HB3 HIS A 26 0.612 7.641 -3.343 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.021 11.362 -2.601 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.975 9.346 1.001 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.448 11.634 -0.098 1.00 0.00 H new ATOM 324 N PRO A 27 4.191 7.337 -2.423 1.00 0.00 N ATOM 325 CA PRO A 27 4.901 6.376 -1.598 1.00 0.00 C ATOM 326 C PRO A 27 4.014 5.869 -0.459 1.00 0.00 C ATOM 327 O PRO A 27 4.092 4.701 -0.079 1.00 0.00 O ATOM 328 CB PRO A 27 6.134 7.116 -1.105 1.00 0.00 C ATOM 329 CG PRO A 27 5.834 8.595 -1.289 1.00 0.00 C ATOM 330 CD PRO A 27 4.616 8.714 -2.190 1.00 0.00 C ATOM 0 HA PRO A 27 5.184 5.478 -2.148 1.00 0.00 H new ATOM 0 HB2 PRO A 27 6.335 6.886 -0.059 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.018 6.823 -1.672 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.644 9.069 -0.326 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.689 9.106 -1.733 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.827 9.297 -1.714 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.863 9.216 -3.126 1.00 0.00 H new ATOM 338 N GLY A 28 3.190 6.771 0.053 1.00 0.00 N ATOM 339 CA GLY A 28 2.289 6.430 1.141 1.00 0.00 C ATOM 340 C GLY A 28 1.367 5.275 0.746 1.00 0.00 C ATOM 341 O GLY A 28 1.015 4.443 1.581 1.00 0.00 O ATOM 0 H GLY A 28 3.127 7.738 -0.265 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.866 6.154 2.023 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.692 7.301 1.410 1.00 0.00 H new ATOM 345 N VAL A 29 1.001 5.260 -0.527 1.00 0.00 N ATOM 346 CA VAL A 29 0.126 4.221 -1.043 1.00 0.00 C ATOM 347 C VAL A 29 0.930 2.934 -1.238 1.00 0.00 C ATOM 348 O VAL A 29 0.578 1.888 -0.695 1.00 0.00 O ATOM 349 CB VAL A 29 -0.556 4.700 -2.326 1.00 0.00 C ATOM 350 CG1 VAL A 29 -1.534 3.647 -2.853 1.00 0.00 C ATOM 351 CG2 VAL A 29 -1.261 6.040 -2.104 1.00 0.00 C ATOM 0 H VAL A 29 1.295 5.951 -1.217 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.669 4.003 -0.330 1.00 0.00 H new ATOM 0 HB VAL A 29 0.216 4.848 -3.081 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.005 4.012 -3.765 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.995 2.724 -3.068 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.300 3.453 -2.102 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.738 6.358 -3.031 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.017 5.929 -1.327 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.531 6.789 -1.796 1.00 0.00 H new ATOM 361 N LEU A 30 1.997 3.053 -2.016 1.00 0.00 N ATOM 362 CA LEU A 30 2.854 1.912 -2.290 1.00 0.00 C ATOM 363 C LEU A 30 3.111 1.149 -0.989 1.00 0.00 C ATOM 364 O LEU A 30 3.209 -0.078 -0.994 1.00 0.00 O ATOM 365 CB LEU A 30 4.131 2.361 -3.003 1.00 0.00 C ATOM 366 CG LEU A 30 3.935 3.136 -4.307 1.00 0.00 C ATOM 367 CD1 LEU A 30 5.046 4.169 -4.503 1.00 0.00 C ATOM 368 CD2 LEU A 30 3.820 2.185 -5.499 1.00 0.00 C ATOM 0 H LEU A 30 2.287 3.922 -2.465 1.00 0.00 H new ATOM 0 HA LEU A 30 2.362 1.220 -2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.707 2.983 -2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.734 1.478 -3.216 1.00 0.00 H new ATOM 0 HG LEU A 30 2.995 3.683 -4.241 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.883 4.706 -5.437 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.037 4.875 -3.672 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.011 3.663 -4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.681 2.762 -6.413 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.730 1.591 -5.580 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.966 1.523 -5.355 1.00 0.00 H new ATOM 380 N LYS A 31 3.213 1.906 0.093 1.00 0.00 N ATOM 381 CA LYS A 31 3.457 1.316 1.399 1.00 0.00 C ATOM 382 C LYS A 31 2.618 0.044 1.544 1.00 0.00 C ATOM 383 O LYS A 31 3.043 -0.913 2.189 1.00 0.00 O ATOM 384 CB LYS A 31 3.212 2.344 2.505 1.00 0.00 C ATOM 385 CG LYS A 31 4.398 2.402 3.471 1.00 0.00 C ATOM 386 CD LYS A 31 4.518 3.789 4.107 1.00 0.00 C ATOM 387 CE LYS A 31 5.794 3.899 4.944 1.00 0.00 C ATOM 388 NZ LYS A 31 5.624 4.900 6.020 1.00 0.00 N ATOM 0 H LYS A 31 3.131 2.923 0.093 1.00 0.00 H new ATOM 0 HA LYS A 31 4.502 1.022 1.495 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.049 3.327 2.063 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.305 2.086 3.052 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.274 1.650 4.250 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.318 2.161 2.938 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.523 4.551 3.328 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.649 3.981 4.736 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.036 2.929 5.377 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.631 4.181 4.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.499 4.962 6.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.415 5.828 5.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.838 4.615 6.639 1.00 0.00 H new ATOM 402 N VAL A 32 1.443 0.076 0.933 1.00 0.00 N ATOM 403 CA VAL A 32 0.541 -1.062 0.986 1.00 0.00 C ATOM 404 C VAL A 32 0.865 -2.018 -0.164 1.00 0.00 C ATOM 405 O VAL A 32 0.919 -3.231 0.029 1.00 0.00 O ATOM 406 CB VAL A 32 -0.911 -0.580 0.972 1.00 0.00 C ATOM 407 CG1 VAL A 32 -1.052 0.756 1.704 1.00 0.00 C ATOM 408 CG2 VAL A 32 -1.441 -0.479 -0.459 1.00 0.00 C ATOM 0 H VAL A 32 1.095 0.872 0.399 1.00 0.00 H new ATOM 0 HA VAL A 32 0.677 -1.614 1.916 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.514 -1.318 1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.094 1.076 1.679 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.733 0.639 2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.430 1.506 1.215 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.475 -0.134 -0.441 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.833 0.228 -1.023 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.394 -1.459 -0.935 1.00 0.00 H new ATOM 418 N GLU A 33 1.072 -1.434 -1.336 1.00 0.00 N ATOM 419 CA GLU A 33 1.389 -2.219 -2.517 1.00 0.00 C ATOM 420 C GLU A 33 2.554 -3.168 -2.227 1.00 0.00 C ATOM 421 O GLU A 33 2.586 -4.289 -2.731 1.00 0.00 O ATOM 422 CB GLU A 33 1.703 -1.313 -3.709 1.00 0.00 C ATOM 423 CG GLU A 33 0.482 -0.476 -4.098 1.00 0.00 C ATOM 424 CD GLU A 33 0.090 -0.724 -5.556 1.00 0.00 C ATOM 425 OE1 GLU A 33 0.893 -0.339 -6.433 1.00 0.00 O ATOM 426 OE2 GLU A 33 -1.004 -1.293 -5.761 1.00 0.00 O ATOM 0 H GLU A 33 1.026 -0.427 -1.492 1.00 0.00 H new ATOM 0 HA GLU A 33 0.516 -2.817 -2.777 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.536 -0.655 -3.461 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.018 -1.919 -4.558 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.355 -0.723 -3.445 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.700 0.582 -3.951 1.00 0.00 H new ATOM 433 N ALA A 34 3.483 -2.682 -1.416 1.00 0.00 N ATOM 434 CA ALA A 34 4.646 -3.473 -1.054 1.00 0.00 C ATOM 435 C ALA A 34 4.194 -4.719 -0.290 1.00 0.00 C ATOM 436 O ALA A 34 4.814 -5.776 -0.395 1.00 0.00 O ATOM 437 CB ALA A 34 5.616 -2.612 -0.242 1.00 0.00 C ATOM 0 H ALA A 34 3.453 -1.751 -1.000 1.00 0.00 H new ATOM 0 HA ALA A 34 5.175 -3.808 -1.947 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.489 -3.205 0.030 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.931 -1.756 -0.839 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.120 -2.260 0.663 1.00 0.00 H new ATOM 443 N ILE A 35 3.116 -4.553 0.463 1.00 0.00 N ATOM 444 CA ILE A 35 2.573 -5.651 1.244 1.00 0.00 C ATOM 445 C ILE A 35 1.691 -6.522 0.347 1.00 0.00 C ATOM 446 O ILE A 35 1.925 -7.723 0.218 1.00 0.00 O ATOM 447 CB ILE A 35 1.853 -5.121 2.486 1.00 0.00 C ATOM 448 CG1 ILE A 35 2.832 -4.417 3.428 1.00 0.00 C ATOM 449 CG2 ILE A 35 1.080 -6.238 3.191 1.00 0.00 C ATOM 450 CD1 ILE A 35 2.192 -3.179 4.058 1.00 0.00 C ATOM 0 H ILE A 35 2.604 -3.675 0.549 1.00 0.00 H new ATOM 0 HA ILE A 35 3.376 -6.287 1.617 1.00 0.00 H new ATOM 0 HB ILE A 35 1.123 -4.378 2.167 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.148 -5.106 4.211 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.727 -4.128 2.878 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.578 -5.834 4.070 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.339 -6.654 2.509 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.772 -7.022 3.497 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.909 -2.697 4.723 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.899 -2.481 3.273 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.311 -3.475 4.627 1.00 0.00 H new ATOM 462 N LEU A 36 0.695 -5.884 -0.249 1.00 0.00 N ATOM 463 CA LEU A 36 -0.223 -6.585 -1.130 1.00 0.00 C ATOM 464 C LEU A 36 0.572 -7.500 -2.065 1.00 0.00 C ATOM 465 O LEU A 36 0.129 -8.601 -2.385 1.00 0.00 O ATOM 466 CB LEU A 36 -1.126 -5.592 -1.864 1.00 0.00 C ATOM 467 CG LEU A 36 -2.312 -5.047 -1.065 1.00 0.00 C ATOM 468 CD1 LEU A 36 -3.341 -6.147 -0.792 1.00 0.00 C ATOM 469 CD2 LEU A 36 -1.841 -4.370 0.223 1.00 0.00 C ATOM 0 H LEU A 36 0.503 -4.888 -0.139 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.892 -7.222 -0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.516 -4.750 -2.191 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.510 -6.076 -2.762 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.807 -4.285 -1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.173 -5.733 -0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.710 -6.543 -1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.874 -6.949 -0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.704 -3.992 0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.307 -5.093 0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.176 -3.542 -0.023 1.00 0.00 H new ATOM 481 N GLU A 37 1.732 -7.009 -2.475 1.00 0.00 N ATOM 482 CA GLU A 37 2.593 -7.768 -3.366 1.00 0.00 C ATOM 483 C GLU A 37 2.882 -9.149 -2.775 1.00 0.00 C ATOM 484 O GLU A 37 2.799 -10.157 -3.475 1.00 0.00 O ATOM 485 CB GLU A 37 3.891 -7.011 -3.651 1.00 0.00 C ATOM 486 CG GLU A 37 3.959 -6.569 -5.114 1.00 0.00 C ATOM 487 CD GLU A 37 5.316 -5.938 -5.434 1.00 0.00 C ATOM 488 OE1 GLU A 37 5.791 -5.154 -4.584 1.00 0.00 O ATOM 489 OE2 GLU A 37 5.846 -6.253 -6.521 1.00 0.00 O ATOM 0 H GLU A 37 2.096 -6.095 -2.207 1.00 0.00 H new ATOM 0 HA GLU A 37 2.074 -7.902 -4.315 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.958 -6.139 -3.001 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.745 -7.647 -3.420 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.790 -7.427 -5.765 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.163 -5.852 -5.318 1.00 0.00 H new ATOM 496 N LYS A 38 3.215 -9.152 -1.493 1.00 0.00 N ATOM 497 CA LYS A 38 3.516 -10.393 -0.800 1.00 0.00 C ATOM 498 C LYS A 38 2.224 -11.186 -0.597 1.00 0.00 C ATOM 499 O LYS A 38 2.184 -12.390 -0.846 1.00 0.00 O ATOM 500 CB LYS A 38 4.275 -10.111 0.498 1.00 0.00 C ATOM 501 CG LYS A 38 5.612 -9.424 0.214 1.00 0.00 C ATOM 502 CD LYS A 38 5.945 -8.400 1.301 1.00 0.00 C ATOM 503 CE LYS A 38 7.443 -8.397 1.611 1.00 0.00 C ATOM 504 NZ LYS A 38 7.671 -8.284 3.069 1.00 0.00 N ATOM 0 H LYS A 38 3.283 -8.314 -0.915 1.00 0.00 H new ATOM 0 HA LYS A 38 4.180 -11.014 -1.402 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.669 -9.480 1.148 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.448 -11.045 1.032 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.404 -10.171 0.158 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.572 -8.929 -0.756 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.635 -7.407 0.977 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.383 -8.630 2.206 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.900 -9.313 1.236 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.925 -7.566 1.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.693 -8.283 3.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.252 -7.398 3.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.228 -9.091 3.553 1.00 0.00 H new ATOM 518 N VAL A 39 1.197 -10.478 -0.147 1.00 0.00 N ATOM 519 CA VAL A 39 -0.093 -11.101 0.092 1.00 0.00 C ATOM 520 C VAL A 39 -0.435 -12.022 -1.081 1.00 0.00 C ATOM 521 O VAL A 39 -0.611 -13.226 -0.899 1.00 0.00 O ATOM 522 CB VAL A 39 -1.155 -10.027 0.338 1.00 0.00 C ATOM 523 CG1 VAL A 39 -2.551 -10.647 0.426 1.00 0.00 C ATOM 524 CG2 VAL A 39 -0.834 -9.217 1.596 1.00 0.00 C ATOM 0 H VAL A 39 1.233 -9.479 0.058 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.059 -11.718 0.990 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.145 -9.344 -0.512 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.287 -9.862 0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.781 -11.159 -0.508 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.580 -11.362 1.248 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.604 -8.461 1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.803 -9.882 2.459 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.134 -8.730 1.478 1.00 0.00 H new ATOM 534 N GLN A 40 -0.520 -11.421 -2.259 1.00 0.00 N ATOM 535 CA GLN A 40 -0.838 -12.172 -3.461 1.00 0.00 C ATOM 536 C GLN A 40 -0.142 -13.535 -3.436 1.00 0.00 C ATOM 537 O GLN A 40 -0.759 -14.557 -3.730 1.00 0.00 O ATOM 538 CB GLN A 40 -0.457 -11.385 -4.716 1.00 0.00 C ATOM 539 CG GLN A 40 -1.291 -10.108 -4.837 1.00 0.00 C ATOM 540 CD GLN A 40 -2.514 -10.334 -5.727 1.00 0.00 C ATOM 541 OE1 GLN A 40 -3.089 -11.409 -5.776 1.00 0.00 O ATOM 542 NE2 GLN A 40 -2.879 -9.264 -6.428 1.00 0.00 N ATOM 0 H GLN A 40 -0.374 -10.422 -2.406 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.915 -12.337 -3.488 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.602 -11.130 -4.682 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.607 -12.007 -5.599 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.612 -9.784 -3.847 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.678 -9.307 -5.251 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.354 -8.394 -6.341 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.684 -9.314 -7.053 1.00 0.00 H new ATOM 551 N GLY A 41 1.135 -13.504 -3.081 1.00 0.00 N ATOM 552 CA GLY A 41 1.922 -14.724 -3.013 1.00 0.00 C ATOM 553 C GLY A 41 1.273 -15.743 -2.075 1.00 0.00 C ATOM 554 O GLY A 41 1.195 -16.928 -2.397 1.00 0.00 O ATOM 0 H GLY A 41 1.644 -12.654 -2.838 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.021 -15.153 -4.010 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.929 -14.493 -2.664 1.00 0.00 H new ATOM 558 N LEU A 42 0.825 -15.246 -0.932 1.00 0.00 N ATOM 559 CA LEU A 42 0.186 -16.099 0.056 1.00 0.00 C ATOM 560 C LEU A 42 -1.115 -16.658 -0.524 1.00 0.00 C ATOM 561 O LEU A 42 -1.328 -17.869 -0.525 1.00 0.00 O ATOM 562 CB LEU A 42 -0.002 -15.344 1.374 1.00 0.00 C ATOM 563 CG LEU A 42 1.269 -14.781 2.012 1.00 0.00 C ATOM 564 CD1 LEU A 42 0.931 -13.746 3.087 1.00 0.00 C ATOM 565 CD2 LEU A 42 2.153 -15.905 2.557 1.00 0.00 C ATOM 0 H LEU A 42 0.892 -14.263 -0.668 1.00 0.00 H new ATOM 0 HA LEU A 42 0.822 -16.952 0.292 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.694 -14.520 1.202 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.477 -16.015 2.089 1.00 0.00 H new ATOM 0 HG LEU A 42 1.840 -14.267 1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.852 -13.362 3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.372 -12.925 2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.327 -14.213 3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.050 -15.478 3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.603 -16.467 3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.437 -16.572 1.743 1.00 0.00 H new ATOM 577 N GLU A 43 -1.951 -15.748 -1.003 1.00 0.00 N ATOM 578 CA GLU A 43 -3.225 -16.135 -1.585 1.00 0.00 C ATOM 579 C GLU A 43 -3.008 -17.142 -2.716 1.00 0.00 C ATOM 580 O GLU A 43 -3.861 -17.991 -2.968 1.00 0.00 O ATOM 581 CB GLU A 43 -3.995 -14.910 -2.082 1.00 0.00 C ATOM 582 CG GLU A 43 -4.771 -15.232 -3.360 1.00 0.00 C ATOM 583 CD GLU A 43 -3.903 -15.007 -4.600 1.00 0.00 C ATOM 584 OE1 GLU A 43 -3.585 -13.828 -4.864 1.00 0.00 O ATOM 585 OE2 GLU A 43 -3.577 -16.020 -5.256 1.00 0.00 O ATOM 0 H GLU A 43 -1.771 -14.744 -1.000 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.826 -16.612 -0.811 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.685 -14.571 -1.309 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.301 -14.091 -2.270 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.111 -16.267 -3.332 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.661 -14.606 -3.417 1.00 0.00 H new ATOM 592 N GLN A 44 -1.861 -17.014 -3.368 1.00 0.00 N ATOM 593 CA GLN A 44 -1.521 -17.903 -4.466 1.00 0.00 C ATOM 594 C GLN A 44 -1.304 -19.327 -3.949 1.00 0.00 C ATOM 595 O GLN A 44 -1.531 -20.295 -4.673 1.00 0.00 O ATOM 596 CB GLN A 44 -0.288 -17.399 -5.217 1.00 0.00 C ATOM 597 CG GLN A 44 -0.683 -16.428 -6.332 1.00 0.00 C ATOM 598 CD GLN A 44 -1.319 -17.173 -7.507 1.00 0.00 C ATOM 599 OE1 GLN A 44 -2.351 -17.812 -7.386 1.00 0.00 O ATOM 600 NE2 GLN A 44 -0.648 -17.054 -8.649 1.00 0.00 N ATOM 0 H GLN A 44 -1.156 -16.308 -3.157 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.354 -17.916 -5.169 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.388 -16.903 -4.521 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.254 -18.244 -5.641 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.383 -15.688 -5.944 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.197 -15.885 -6.675 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.210 -16.504 -8.681 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.992 -17.513 -9.493 1.00 0.00 H new ATOM 609 N ALA A 45 -0.868 -19.409 -2.701 1.00 0.00 N ATOM 610 CA ALA A 45 -0.618 -20.698 -2.079 1.00 0.00 C ATOM 611 C ALA A 45 -1.919 -21.227 -1.472 1.00 0.00 C ATOM 612 O ALA A 45 -2.158 -22.434 -1.462 1.00 0.00 O ATOM 613 CB ALA A 45 0.494 -20.556 -1.038 1.00 0.00 C ATOM 0 H ALA A 45 -0.681 -18.604 -2.103 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.281 -21.422 -2.820 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.681 -21.523 -0.571 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.404 -20.205 -1.524 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.190 -19.839 -0.276 1.00 0.00 H new ATOM 619 N VAL A 46 -2.727 -20.299 -0.980 1.00 0.00 N ATOM 620 CA VAL A 46 -3.997 -20.657 -0.373 1.00 0.00 C ATOM 621 C VAL A 46 -4.980 -21.077 -1.468 1.00 0.00 C ATOM 622 O VAL A 46 -5.622 -22.121 -1.363 1.00 0.00 O ATOM 623 CB VAL A 46 -4.514 -19.498 0.481 1.00 0.00 C ATOM 624 CG1 VAL A 46 -3.355 -18.692 1.072 1.00 0.00 C ATOM 625 CG2 VAL A 46 -5.452 -18.597 -0.326 1.00 0.00 C ATOM 0 H VAL A 46 -2.526 -19.299 -0.990 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.874 -21.508 0.297 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.084 -19.921 1.308 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.750 -17.874 1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.743 -19.341 1.698 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.745 -18.286 0.265 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.805 -17.781 0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.916 -18.188 -1.182 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.304 -19.180 -0.676 1.00 0.00 H new ATOM 635 N ASP A 47 -5.067 -20.243 -2.493 1.00 0.00 N ATOM 636 CA ASP A 47 -5.960 -20.515 -3.606 1.00 0.00 C ATOM 637 C ASP A 47 -5.727 -21.942 -4.105 1.00 0.00 C ATOM 638 O ASP A 47 -6.617 -22.550 -4.699 1.00 0.00 O ATOM 639 CB ASP A 47 -5.697 -19.558 -4.771 1.00 0.00 C ATOM 640 CG ASP A 47 -6.861 -19.396 -5.750 1.00 0.00 C ATOM 641 OD1 ASP A 47 -7.845 -18.733 -5.357 1.00 0.00 O ATOM 642 OD2 ASP A 47 -6.740 -19.938 -6.870 1.00 0.00 O ATOM 0 H ASP A 47 -4.533 -19.378 -2.576 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.984 -20.384 -3.256 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.443 -18.578 -4.366 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.825 -19.911 -5.322 1.00 0.00 H new ATOM 647 N SER A 48 -4.525 -22.436 -3.846 1.00 0.00 N ATOM 648 CA SER A 48 -4.163 -23.781 -4.261 1.00 0.00 C ATOM 649 C SER A 48 -3.476 -24.517 -3.110 1.00 0.00 C ATOM 650 O SER A 48 -2.492 -25.225 -3.320 1.00 0.00 O ATOM 651 CB SER A 48 -3.253 -23.751 -5.491 1.00 0.00 C ATOM 652 OG SER A 48 -3.263 -24.992 -6.192 1.00 0.00 O ATOM 0 H SER A 48 -3.789 -21.929 -3.354 1.00 0.00 H new ATOM 0 HA SER A 48 -5.075 -24.313 -4.530 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.575 -22.954 -6.161 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.234 -23.517 -5.183 1.00 0.00 H new ATOM 0 HG SER A 48 -2.959 -25.707 -5.595 1.00 0.00 H new ATOM 658 N PHE A 49 -4.022 -24.326 -1.918 1.00 0.00 N ATOM 659 CA PHE A 49 -3.473 -24.963 -0.732 1.00 0.00 C ATOM 660 C PHE A 49 -4.199 -26.275 -0.430 1.00 0.00 C ATOM 661 O PHE A 49 -5.242 -26.561 -1.016 1.00 0.00 O ATOM 662 CB PHE A 49 -3.685 -23.996 0.434 1.00 0.00 C ATOM 663 CG PHE A 49 -3.747 -24.676 1.803 1.00 0.00 C ATOM 664 CD1 PHE A 49 -4.837 -25.413 2.147 1.00 0.00 C ATOM 665 CD2 PHE A 49 -2.713 -24.543 2.676 1.00 0.00 C ATOM 666 CE1 PHE A 49 -4.894 -26.045 3.418 1.00 0.00 C ATOM 667 CE2 PHE A 49 -2.770 -25.174 3.946 1.00 0.00 C ATOM 668 CZ PHE A 49 -3.860 -25.912 4.291 1.00 0.00 C ATOM 0 H PHE A 49 -4.839 -23.739 -1.748 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.418 -25.189 -0.885 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.876 -23.266 0.439 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.611 -23.444 0.271 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.659 -25.518 1.454 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.848 -23.957 2.403 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.759 -26.631 3.691 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.948 -25.068 4.639 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.904 -26.392 5.258 1.00 0.00 H new ATOM 678 N GLU A 50 -3.619 -27.038 0.485 1.00 0.00 N ATOM 679 CA GLU A 50 -4.198 -28.313 0.872 1.00 0.00 C ATOM 680 C GLU A 50 -3.873 -28.620 2.336 1.00 0.00 C ATOM 681 O GLU A 50 -2.731 -28.470 2.767 1.00 0.00 O ATOM 682 CB GLU A 50 -3.712 -29.437 -0.045 1.00 0.00 C ATOM 683 CG GLU A 50 -4.679 -29.651 -1.211 1.00 0.00 C ATOM 684 CD GLU A 50 -3.921 -29.975 -2.500 1.00 0.00 C ATOM 685 OE1 GLU A 50 -3.207 -31.001 -2.496 1.00 0.00 O ATOM 686 OE2 GLU A 50 -4.073 -29.189 -3.460 1.00 0.00 O ATOM 0 H GLU A 50 -2.754 -26.798 0.969 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.281 -28.246 0.766 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.721 -29.195 -0.429 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.615 -30.361 0.526 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.365 -30.464 -0.974 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.284 -28.756 -1.356 1.00 0.00 H new ATOM 693 N GLY A 51 -4.899 -29.046 3.059 1.00 0.00 N ATOM 694 CA GLY A 51 -4.737 -29.375 4.465 1.00 0.00 C ATOM 695 C GLY A 51 -5.923 -28.867 5.287 1.00 0.00 C ATOM 696 O GLY A 51 -7.006 -28.642 4.748 1.00 0.00 O ATOM 0 H GLY A 51 -5.845 -29.171 2.698 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.645 -30.455 4.581 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.814 -28.934 4.841 1.00 0.00 H new ATOM 700 N LYS A 52 -5.679 -28.701 6.579 1.00 0.00 N ATOM 701 CA LYS A 52 -6.713 -28.223 7.481 1.00 0.00 C ATOM 702 C LYS A 52 -6.137 -27.121 8.371 1.00 0.00 C ATOM 703 O LYS A 52 -5.178 -26.450 7.993 1.00 0.00 O ATOM 704 CB LYS A 52 -7.323 -29.389 8.262 1.00 0.00 C ATOM 705 CG LYS A 52 -7.211 -30.696 7.474 1.00 0.00 C ATOM 706 CD LYS A 52 -8.069 -30.648 6.208 1.00 0.00 C ATOM 707 CE LYS A 52 -9.146 -31.734 6.234 1.00 0.00 C ATOM 708 NZ LYS A 52 -10.422 -31.186 6.746 1.00 0.00 N ATOM 0 H LYS A 52 -4.780 -28.889 7.023 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.536 -27.781 6.918 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.816 -29.494 9.221 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.371 -29.179 8.477 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.170 -30.875 7.205 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.527 -31.531 8.100 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.538 -29.668 6.119 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.436 -30.779 5.330 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.292 -32.134 5.231 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.821 -32.562 6.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.142 -31.936 6.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.282 -30.826 7.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.739 -30.411 6.130 1.00 0.00 H new ATOM 722 N LYS A 53 -6.747 -26.967 9.538 1.00 0.00 N ATOM 723 CA LYS A 53 -6.307 -25.957 10.485 1.00 0.00 C ATOM 724 C LYS A 53 -5.284 -26.573 11.441 1.00 0.00 C ATOM 725 O LYS A 53 -5.000 -26.011 12.498 1.00 0.00 O ATOM 726 CB LYS A 53 -7.508 -25.327 11.193 1.00 0.00 C ATOM 727 CG LYS A 53 -8.329 -24.473 10.224 1.00 0.00 C ATOM 728 CD LYS A 53 -9.370 -23.640 10.975 1.00 0.00 C ATOM 729 CE LYS A 53 -10.554 -23.295 10.068 1.00 0.00 C ATOM 730 NZ LYS A 53 -11.771 -23.054 10.874 1.00 0.00 N ATOM 0 H LYS A 53 -7.542 -27.525 9.849 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.807 -25.139 9.966 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.137 -26.110 11.616 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.163 -24.711 12.024 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.666 -23.814 9.663 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.827 -25.116 9.499 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.723 -24.192 11.846 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.910 -22.723 11.344 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.321 -22.409 9.477 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.731 -24.110 9.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.565 -22.821 10.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.001 -23.909 11.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.604 -22.262 11.527 1.00 0.00 H new ATOM 744 N THR A 54 -4.757 -27.719 11.036 1.00 0.00 N ATOM 745 CA THR A 54 -3.771 -28.417 11.844 1.00 0.00 C ATOM 746 C THR A 54 -2.417 -28.438 11.131 1.00 0.00 C ATOM 747 O THR A 54 -1.380 -28.219 11.755 1.00 0.00 O ATOM 748 CB THR A 54 -4.316 -29.812 12.155 1.00 0.00 C ATOM 749 OG1 THR A 54 -4.250 -30.497 10.907 1.00 0.00 O ATOM 750 CG2 THR A 54 -5.809 -29.796 12.492 1.00 0.00 C ATOM 0 H THR A 54 -4.994 -28.182 10.159 1.00 0.00 H new ATOM 0 HA THR A 54 -3.598 -27.903 12.789 1.00 0.00 H new ATOM 0 HB THR A 54 -3.760 -30.241 12.989 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.584 -31.412 11.018 1.00 0.00 H new ATOM 0 HG21 THR A 54 -6.145 -30.811 12.704 1.00 0.00 H new ATOM 0 HG22 THR A 54 -5.978 -29.167 13.366 1.00 0.00 H new ATOM 0 HG23 THR A 54 -6.369 -29.398 11.646 1.00 0.00 H new ATOM 758 N ASP A 55 -2.471 -28.705 9.835 1.00 0.00 N ATOM 759 CA ASP A 55 -1.262 -28.758 9.031 1.00 0.00 C ATOM 760 C ASP A 55 -0.448 -27.482 9.256 1.00 0.00 C ATOM 761 O ASP A 55 -0.940 -26.379 9.023 1.00 0.00 O ATOM 762 CB ASP A 55 -1.595 -28.849 7.540 1.00 0.00 C ATOM 763 CG ASP A 55 -2.616 -29.927 7.171 1.00 0.00 C ATOM 764 OD1 ASP A 55 -3.652 -29.989 7.867 1.00 0.00 O ATOM 765 OD2 ASP A 55 -2.338 -30.663 6.200 1.00 0.00 O ATOM 0 H ASP A 55 -3.333 -28.887 9.321 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.698 -29.642 9.329 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.973 -27.882 7.208 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.674 -29.038 6.988 1.00 0.00 H new ATOM 770 N LYS A 56 0.783 -27.675 9.707 1.00 0.00 N ATOM 771 CA LYS A 56 1.669 -26.553 9.967 1.00 0.00 C ATOM 772 C LYS A 56 1.655 -25.609 8.763 1.00 0.00 C ATOM 773 O LYS A 56 1.575 -24.392 8.925 1.00 0.00 O ATOM 774 CB LYS A 56 3.067 -27.051 10.342 1.00 0.00 C ATOM 775 CG LYS A 56 4.062 -25.890 10.408 1.00 0.00 C ATOM 776 CD LYS A 56 5.057 -25.955 9.248 1.00 0.00 C ATOM 777 CE LYS A 56 6.403 -26.516 9.710 1.00 0.00 C ATOM 778 NZ LYS A 56 6.998 -27.369 8.657 1.00 0.00 N ATOM 0 H LYS A 56 1.188 -28.591 9.899 1.00 0.00 H new ATOM 0 HA LYS A 56 1.318 -25.981 10.826 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.030 -27.558 11.306 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.405 -27.783 9.609 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.524 -24.943 10.378 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.600 -25.921 11.356 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.652 -26.580 8.452 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.199 -24.958 8.830 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.082 -25.698 9.950 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.268 -27.096 10.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.911 -27.742 8.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.356 -28.160 8.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.145 -26.805 7.796 1.00 0.00 H new ATOM 792 N LYS A 57 1.735 -26.205 7.583 1.00 0.00 N ATOM 793 CA LYS A 57 1.732 -25.432 6.352 1.00 0.00 C ATOM 794 C LYS A 57 0.714 -24.296 6.471 1.00 0.00 C ATOM 795 O LYS A 57 1.078 -23.123 6.405 1.00 0.00 O ATOM 796 CB LYS A 57 1.497 -26.345 5.147 1.00 0.00 C ATOM 797 CG LYS A 57 1.169 -25.527 3.896 1.00 0.00 C ATOM 798 CD LYS A 57 2.342 -24.626 3.505 1.00 0.00 C ATOM 799 CE LYS A 57 2.945 -25.060 2.168 1.00 0.00 C ATOM 800 NZ LYS A 57 4.263 -25.701 2.377 1.00 0.00 N ATOM 0 H LYS A 57 1.802 -27.214 7.453 1.00 0.00 H new ATOM 0 HA LYS A 57 2.706 -24.972 6.189 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.385 -26.952 4.967 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.679 -27.033 5.361 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.931 -26.198 3.071 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.283 -24.918 4.077 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.004 -23.592 3.437 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.106 -24.661 4.281 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.271 -25.755 1.667 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.054 -24.195 1.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.658 -25.989 1.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.908 -25.026 2.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.150 -26.538 2.984 1.00 0.00 H new ATOM 814 N TYR A 58 -0.541 -24.684 6.644 1.00 0.00 N ATOM 815 CA TYR A 58 -1.613 -23.713 6.773 1.00 0.00 C ATOM 816 C TYR A 58 -1.214 -22.577 7.717 1.00 0.00 C ATOM 817 O TYR A 58 -1.359 -21.403 7.378 1.00 0.00 O ATOM 818 CB TYR A 58 -2.798 -24.469 7.377 1.00 0.00 C ATOM 819 CG TYR A 58 -3.973 -23.573 7.773 1.00 0.00 C ATOM 820 CD1 TYR A 58 -4.618 -22.819 6.814 1.00 0.00 C ATOM 821 CD2 TYR A 58 -4.387 -23.519 9.088 1.00 0.00 C ATOM 822 CE1 TYR A 58 -5.724 -21.975 7.186 1.00 0.00 C ATOM 823 CE2 TYR A 58 -5.494 -22.675 9.460 1.00 0.00 C ATOM 824 CZ TYR A 58 -6.107 -21.945 8.490 1.00 0.00 C ATOM 825 OH TYR A 58 -7.152 -21.148 8.842 1.00 0.00 O ATOM 0 H TYR A 58 -0.839 -25.658 6.698 1.00 0.00 H new ATOM 0 HA TYR A 58 -1.849 -23.272 5.804 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.147 -25.211 6.658 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.457 -25.014 8.258 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -4.293 -22.862 5.785 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -3.882 -24.109 9.838 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.238 -21.379 6.446 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.829 -22.623 10.485 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.315 -21.228 9.805 1.00 0.00 H new ATOM 835 N LEU A 59 -0.719 -22.965 8.883 1.00 0.00 N ATOM 836 CA LEU A 59 -0.298 -21.994 9.878 1.00 0.00 C ATOM 837 C LEU A 59 0.681 -21.007 9.239 1.00 0.00 C ATOM 838 O LEU A 59 0.507 -19.795 9.350 1.00 0.00 O ATOM 839 CB LEU A 59 0.261 -22.701 11.114 1.00 0.00 C ATOM 840 CG LEU A 59 -0.762 -23.423 11.994 1.00 0.00 C ATOM 841 CD1 LEU A 59 -1.358 -24.629 11.266 1.00 0.00 C ATOM 842 CD2 LEU A 59 -0.150 -23.811 13.341 1.00 0.00 C ATOM 0 H LEU A 59 -0.600 -23.939 9.161 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.152 -21.415 10.230 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.006 -23.427 10.787 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.781 -21.964 11.726 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.582 -22.734 12.200 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.082 -25.124 11.914 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.855 -24.295 10.355 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.563 -25.329 11.010 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.898 -24.322 13.947 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.699 -24.474 13.177 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.185 -22.913 13.860 1.00 0.00 H new ATOM 854 N MET A 60 1.690 -21.564 8.584 1.00 0.00 N ATOM 855 CA MET A 60 2.697 -20.748 7.927 1.00 0.00 C ATOM 856 C MET A 60 2.049 -19.624 7.116 1.00 0.00 C ATOM 857 O MET A 60 2.479 -18.474 7.188 1.00 0.00 O ATOM 858 CB MET A 60 3.540 -21.626 7.000 1.00 0.00 C ATOM 859 CG MET A 60 5.021 -21.558 7.379 1.00 0.00 C ATOM 860 SD MET A 60 5.975 -22.614 6.302 1.00 0.00 S ATOM 861 CE MET A 60 5.683 -21.806 4.737 1.00 0.00 C ATOM 0 H MET A 60 1.831 -22.570 8.494 1.00 0.00 H new ATOM 0 HA MET A 60 3.330 -20.299 8.693 1.00 0.00 H new ATOM 0 HB2 MET A 60 3.193 -22.658 7.056 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.410 -21.301 5.968 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.377 -20.531 7.304 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.154 -21.867 8.416 1.00 0.00 H new ATOM 0 HE1 MET A 60 6.239 -22.320 3.953 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.618 -21.836 4.505 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.013 -20.769 4.796 1.00 0.00 H new ATOM 871 N ILE A 61 1.024 -19.996 6.363 1.00 0.00 N ATOM 872 CA ILE A 61 0.312 -19.034 5.540 1.00 0.00 C ATOM 873 C ILE A 61 -0.335 -17.979 6.439 1.00 0.00 C ATOM 874 O ILE A 61 0.045 -16.810 6.404 1.00 0.00 O ATOM 875 CB ILE A 61 -0.678 -19.747 4.617 1.00 0.00 C ATOM 876 CG1 ILE A 61 0.040 -20.751 3.712 1.00 0.00 C ATOM 877 CG2 ILE A 61 -1.502 -18.739 3.813 1.00 0.00 C ATOM 878 CD1 ILE A 61 -0.926 -21.826 3.211 1.00 0.00 C ATOM 0 H ILE A 61 0.670 -20.951 6.306 1.00 0.00 H new ATOM 0 HA ILE A 61 1.005 -18.510 4.882 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.375 -20.312 5.236 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.482 -20.230 2.863 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.858 -21.219 4.259 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.198 -19.272 3.165 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.060 -18.098 4.496 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.836 -18.127 3.205 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.390 -22.526 2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.347 -22.362 4.062 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.730 -21.357 2.644 1.00 0.00 H new ATOM 890 N GLU A 62 -1.303 -18.431 7.224 1.00 0.00 N ATOM 891 CA GLU A 62 -2.007 -17.541 8.132 1.00 0.00 C ATOM 892 C GLU A 62 -1.056 -16.467 8.666 1.00 0.00 C ATOM 893 O GLU A 62 -1.254 -15.279 8.418 1.00 0.00 O ATOM 894 CB GLU A 62 -2.650 -18.323 9.278 1.00 0.00 C ATOM 895 CG GLU A 62 -3.859 -17.575 9.842 1.00 0.00 C ATOM 896 CD GLU A 62 -3.424 -16.309 10.584 1.00 0.00 C ATOM 897 OE1 GLU A 62 -2.544 -16.441 11.462 1.00 0.00 O ATOM 898 OE2 GLU A 62 -3.980 -15.239 10.256 1.00 0.00 O ATOM 0 H GLU A 62 -1.616 -19.401 7.250 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.807 -17.048 7.579 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.959 -19.306 8.923 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.917 -18.485 10.068 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.538 -17.310 9.031 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.410 -18.227 10.520 1.00 0.00 H new ATOM 905 N GLU A 63 -0.045 -16.925 9.389 1.00 0.00 N ATOM 906 CA GLU A 63 0.936 -16.019 9.961 1.00 0.00 C ATOM 907 C GLU A 63 1.266 -14.900 8.971 1.00 0.00 C ATOM 908 O GLU A 63 1.031 -13.726 9.254 1.00 0.00 O ATOM 909 CB GLU A 63 2.201 -16.772 10.378 1.00 0.00 C ATOM 910 CG GLU A 63 2.235 -16.992 11.892 1.00 0.00 C ATOM 911 CD GLU A 63 0.995 -17.756 12.362 1.00 0.00 C ATOM 912 OE1 GLU A 63 1.027 -19.001 12.267 1.00 0.00 O ATOM 913 OE2 GLU A 63 0.045 -17.076 12.807 1.00 0.00 O ATOM 0 H GLU A 63 0.116 -17.912 9.592 1.00 0.00 H new ATOM 0 HA GLU A 63 0.508 -15.570 10.857 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.241 -17.734 9.866 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.082 -16.209 10.069 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.133 -17.547 12.163 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.289 -16.030 12.402 1.00 0.00 H new ATOM 920 N TYR A 64 1.805 -15.303 7.829 1.00 0.00 N ATOM 921 CA TYR A 64 2.169 -14.349 6.795 1.00 0.00 C ATOM 922 C TYR A 64 0.998 -13.421 6.469 1.00 0.00 C ATOM 923 O TYR A 64 1.159 -12.202 6.431 1.00 0.00 O ATOM 924 CB TYR A 64 2.508 -15.180 5.556 1.00 0.00 C ATOM 925 CG TYR A 64 3.620 -16.206 5.779 1.00 0.00 C ATOM 926 CD1 TYR A 64 4.654 -15.925 6.648 1.00 0.00 C ATOM 927 CD2 TYR A 64 3.588 -17.414 5.112 1.00 0.00 C ATOM 928 CE1 TYR A 64 5.701 -16.891 6.858 1.00 0.00 C ATOM 929 CE2 TYR A 64 4.635 -18.380 5.322 1.00 0.00 C ATOM 930 CZ TYR A 64 5.640 -18.071 6.185 1.00 0.00 C ATOM 931 OH TYR A 64 6.629 -18.984 6.383 1.00 0.00 O ATOM 0 H TYR A 64 1.998 -16.277 7.597 1.00 0.00 H new ATOM 0 HA TYR A 64 3.002 -13.727 7.122 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.610 -15.700 5.223 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.804 -14.508 4.751 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.678 -14.980 7.171 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.778 -17.635 4.433 1.00 0.00 H new ATOM 0 HE1 TYR A 64 6.516 -16.683 7.535 1.00 0.00 H new ATOM 0 HE2 TYR A 64 4.623 -19.329 4.806 1.00 0.00 H new ATOM 0 HH TYR A 64 6.984 -18.890 7.292 1.00 0.00 H new ATOM 941 N LEU A 65 -0.155 -14.033 6.240 1.00 0.00 N ATOM 942 CA LEU A 65 -1.353 -13.277 5.918 1.00 0.00 C ATOM 943 C LEU A 65 -1.505 -12.122 6.910 1.00 0.00 C ATOM 944 O LEU A 65 -1.270 -10.966 6.563 1.00 0.00 O ATOM 945 CB LEU A 65 -2.571 -14.201 5.859 1.00 0.00 C ATOM 946 CG LEU A 65 -2.856 -14.850 4.503 1.00 0.00 C ATOM 947 CD1 LEU A 65 -1.748 -15.834 4.122 1.00 0.00 C ATOM 948 CD2 LEU A 65 -4.236 -15.509 4.490 1.00 0.00 C ATOM 0 H LEU A 65 -0.285 -15.044 6.271 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.268 -12.836 4.925 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.438 -14.992 6.597 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.450 -13.630 6.158 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.866 -14.067 3.745 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.975 -16.281 3.154 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.797 -15.306 4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.682 -16.617 4.877 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.413 -15.963 3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.279 -16.278 5.261 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.000 -14.757 4.685 1.00 0.00 H new ATOM 960 N THR A 66 -1.895 -12.476 8.125 1.00 0.00 N ATOM 961 CA THR A 66 -2.081 -11.484 9.171 1.00 0.00 C ATOM 962 C THR A 66 -0.846 -10.587 9.280 1.00 0.00 C ATOM 963 O THR A 66 -0.966 -9.365 9.341 1.00 0.00 O ATOM 964 CB THR A 66 -2.413 -12.222 10.469 1.00 0.00 C ATOM 965 OG1 THR A 66 -3.783 -12.585 10.322 1.00 0.00 O ATOM 966 CG2 THR A 66 -2.402 -11.296 11.688 1.00 0.00 C ATOM 0 H THR A 66 -2.088 -13.436 8.409 1.00 0.00 H new ATOM 0 HA THR A 66 -2.910 -10.815 8.940 1.00 0.00 H new ATOM 0 HB THR A 66 -1.697 -13.030 10.620 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.865 -13.562 10.327 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.644 -11.870 12.583 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.413 -10.851 11.798 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.141 -10.507 11.552 1.00 0.00 H new ATOM 974 N LYS A 67 0.312 -11.230 9.302 1.00 0.00 N ATOM 975 CA LYS A 67 1.568 -10.506 9.403 1.00 0.00 C ATOM 976 C LYS A 67 1.530 -9.295 8.467 1.00 0.00 C ATOM 977 O LYS A 67 2.026 -8.224 8.813 1.00 0.00 O ATOM 978 CB LYS A 67 2.749 -11.443 9.147 1.00 0.00 C ATOM 979 CG LYS A 67 3.213 -12.107 10.445 1.00 0.00 C ATOM 980 CD LYS A 67 3.872 -13.459 10.164 1.00 0.00 C ATOM 981 CE LYS A 67 5.129 -13.644 11.016 1.00 0.00 C ATOM 982 NZ LYS A 67 5.780 -14.937 10.705 1.00 0.00 N ATOM 0 H LYS A 67 0.407 -12.244 9.252 1.00 0.00 H new ATOM 0 HA LYS A 67 1.707 -10.124 10.414 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.461 -12.208 8.426 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.573 -10.883 8.706 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.918 -11.454 10.959 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.362 -12.245 11.112 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.165 -14.262 10.373 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.131 -13.529 9.108 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.825 -12.826 10.831 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.868 -13.607 12.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.632 -15.047 11.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.119 -15.715 10.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.047 -14.958 9.700 1.00 0.00 H new ATOM 996 N GLU A 68 0.937 -9.506 7.302 1.00 0.00 N ATOM 997 CA GLU A 68 0.828 -8.446 6.314 1.00 0.00 C ATOM 998 C GLU A 68 -0.208 -7.412 6.759 1.00 0.00 C ATOM 999 O GLU A 68 -0.010 -6.211 6.577 1.00 0.00 O ATOM 1000 CB GLU A 68 0.480 -9.013 4.937 1.00 0.00 C ATOM 1001 CG GLU A 68 1.648 -9.821 4.366 1.00 0.00 C ATOM 1002 CD GLU A 68 2.953 -9.027 4.440 1.00 0.00 C ATOM 1003 OE1 GLU A 68 2.946 -7.877 3.950 1.00 0.00 O ATOM 1004 OE2 GLU A 68 3.928 -9.587 4.986 1.00 0.00 O ATOM 0 H GLU A 68 0.526 -10.396 7.019 1.00 0.00 H new ATOM 0 HA GLU A 68 1.796 -7.951 6.232 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.403 -9.648 5.013 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.229 -8.199 4.257 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.754 -10.754 4.919 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.438 -10.087 3.330 1.00 0.00 H new ATOM 1011 N LEU A 69 -1.291 -7.915 7.333 1.00 0.00 N ATOM 1012 CA LEU A 69 -2.359 -7.049 7.804 1.00 0.00 C ATOM 1013 C LEU A 69 -1.773 -5.982 8.731 1.00 0.00 C ATOM 1014 O LEU A 69 -2.005 -4.790 8.536 1.00 0.00 O ATOM 1015 CB LEU A 69 -3.475 -7.876 8.447 1.00 0.00 C ATOM 1016 CG LEU A 69 -4.855 -7.761 7.796 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -5.122 -8.944 6.864 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -5.949 -7.606 8.855 1.00 0.00 C ATOM 0 H LEU A 69 -1.452 -8.911 7.483 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.822 -6.526 6.967 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.176 -8.924 8.436 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.563 -7.581 9.493 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.870 -6.860 7.183 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.109 -8.837 6.415 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.366 -8.966 6.079 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.081 -9.872 7.434 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.920 -7.526 8.366 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.944 -8.475 9.513 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.763 -6.706 9.441 1.00 0.00 H new ATOM 1030 N LEU A 70 -1.024 -6.449 9.719 1.00 0.00 N ATOM 1031 CA LEU A 70 -0.403 -5.550 10.677 1.00 0.00 C ATOM 1032 C LEU A 70 0.493 -4.558 9.932 1.00 0.00 C ATOM 1033 O LEU A 70 0.693 -3.433 10.387 1.00 0.00 O ATOM 1034 CB LEU A 70 0.327 -6.343 11.762 1.00 0.00 C ATOM 1035 CG LEU A 70 -0.560 -7.042 12.794 1.00 0.00 C ATOM 1036 CD1 LEU A 70 -1.181 -6.030 13.758 1.00 0.00 C ATOM 1037 CD2 LEU A 70 -1.621 -7.907 12.109 1.00 0.00 C ATOM 0 H LEU A 70 -0.833 -7.438 9.877 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.162 -4.966 11.198 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.949 -7.096 11.278 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.999 -5.666 12.289 1.00 0.00 H new ATOM 0 HG LEU A 70 0.066 -7.709 13.387 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.807 -6.553 14.481 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.390 -5.495 14.283 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.790 -5.320 13.198 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.238 -8.393 12.865 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.249 -7.280 11.476 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.133 -8.665 11.497 1.00 0.00 H new ATOM 1049 N ALA A 71 1.008 -5.012 8.798 1.00 0.00 N ATOM 1050 CA ALA A 71 1.878 -4.179 7.986 1.00 0.00 C ATOM 1051 C ALA A 71 1.026 -3.223 7.149 1.00 0.00 C ATOM 1052 O ALA A 71 1.533 -2.236 6.618 1.00 0.00 O ATOM 1053 CB ALA A 71 2.776 -5.068 7.122 1.00 0.00 C ATOM 0 H ALA A 71 0.839 -5.945 8.423 1.00 0.00 H new ATOM 0 HA ALA A 71 2.529 -3.574 8.618 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.429 -4.443 6.513 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.382 -5.707 7.764 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.158 -5.688 6.473 1.00 0.00 H new ATOM 1059 N LEU A 72 -0.255 -3.549 7.057 1.00 0.00 N ATOM 1060 CA LEU A 72 -1.183 -2.732 6.293 1.00 0.00 C ATOM 1061 C LEU A 72 -1.669 -1.572 7.164 1.00 0.00 C ATOM 1062 O LEU A 72 -2.020 -0.510 6.651 1.00 0.00 O ATOM 1063 CB LEU A 72 -2.314 -3.592 5.728 1.00 0.00 C ATOM 1064 CG LEU A 72 -1.954 -4.468 4.525 1.00 0.00 C ATOM 1065 CD1 LEU A 72 -2.979 -5.588 4.337 1.00 0.00 C ATOM 1066 CD2 LEU A 72 -1.790 -3.622 3.261 1.00 0.00 C ATOM 0 H LEU A 72 -0.672 -4.368 7.499 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.684 -2.295 5.428 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.685 -4.237 6.524 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.135 -2.935 5.441 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.992 -4.942 4.722 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.700 -6.196 3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.003 -6.213 5.230 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.965 -5.155 4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.534 -4.268 2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.724 -3.102 3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.995 -2.892 3.412 1.00 0.00 H new ATOM 1078 N ASP A 73 -1.673 -1.813 8.467 1.00 0.00 N ATOM 1079 CA ASP A 73 -2.111 -0.801 9.414 1.00 0.00 C ATOM 1080 C ASP A 73 -0.888 -0.075 9.978 1.00 0.00 C ATOM 1081 O ASP A 73 -1.013 1.009 10.547 1.00 0.00 O ATOM 1082 CB ASP A 73 -2.868 -1.432 10.584 1.00 0.00 C ATOM 1083 CG ASP A 73 -3.998 -0.576 11.159 1.00 0.00 C ATOM 1084 OD1 ASP A 73 -4.281 0.477 10.548 1.00 0.00 O ATOM 1085 OD2 ASP A 73 -4.554 -0.995 12.198 1.00 0.00 O ATOM 0 H ASP A 73 -1.380 -2.694 8.889 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.771 -0.110 8.889 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.285 -2.385 10.256 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.157 -1.652 11.381 1.00 0.00 H new ATOM 1090 N SER A 74 0.266 -0.701 9.802 1.00 0.00 N ATOM 1091 CA SER A 74 1.510 -0.128 10.287 1.00 0.00 C ATOM 1092 C SER A 74 1.805 1.181 9.553 1.00 0.00 C ATOM 1093 O SER A 74 2.313 2.130 10.147 1.00 0.00 O ATOM 1094 CB SER A 74 2.672 -1.108 10.113 1.00 0.00 C ATOM 1095 OG SER A 74 3.886 -0.599 10.660 1.00 0.00 O ATOM 0 H SER A 74 0.366 -1.600 9.330 1.00 0.00 H new ATOM 0 HA SER A 74 1.400 0.078 11.352 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.425 -2.053 10.596 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.812 -1.319 9.053 1.00 0.00 H new ATOM 0 HG SER A 74 4.603 -1.254 10.530 1.00 0.00 H new ATOM 1101 N VAL A 75 1.472 1.190 8.270 1.00 0.00 N ATOM 1102 CA VAL A 75 1.695 2.368 7.448 1.00 0.00 C ATOM 1103 C VAL A 75 0.857 3.528 7.988 1.00 0.00 C ATOM 1104 O VAL A 75 -0.245 3.319 8.494 1.00 0.00 O ATOM 1105 CB VAL A 75 1.397 2.046 5.982 1.00 0.00 C ATOM 1106 CG1 VAL A 75 2.167 0.806 5.525 1.00 0.00 C ATOM 1107 CG2 VAL A 75 -0.106 1.874 5.754 1.00 0.00 C ATOM 0 H VAL A 75 1.050 0.401 7.780 1.00 0.00 H new ATOM 0 HA VAL A 75 2.740 2.674 7.494 1.00 0.00 H new ATOM 0 HB VAL A 75 1.733 2.889 5.378 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.937 0.600 4.480 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.237 0.982 5.633 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.876 -0.049 6.136 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.291 1.646 4.704 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.477 1.058 6.374 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.622 2.796 6.021 1.00 0.00 H new ATOM 1117 N ASP A 76 1.411 4.725 7.863 1.00 0.00 N ATOM 1118 CA ASP A 76 0.728 5.918 8.332 1.00 0.00 C ATOM 1119 C ASP A 76 0.307 6.766 7.130 1.00 0.00 C ATOM 1120 O ASP A 76 1.153 7.233 6.369 1.00 0.00 O ATOM 1121 CB ASP A 76 1.646 6.768 9.213 1.00 0.00 C ATOM 1122 CG ASP A 76 2.060 6.117 10.534 1.00 0.00 C ATOM 1123 OD1 ASP A 76 1.330 5.199 10.967 1.00 0.00 O ATOM 1124 OD2 ASP A 76 3.096 6.552 11.081 1.00 0.00 O ATOM 0 H ASP A 76 2.325 4.894 7.444 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.139 5.604 8.913 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.546 7.010 8.647 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.144 7.710 9.432 1.00 0.00 H new ATOM 1129 N PRO A 77 -1.034 6.944 6.993 1.00 0.00 N ATOM 1130 CA PRO A 77 -1.577 7.728 5.897 1.00 0.00 C ATOM 1131 C PRO A 77 -1.368 9.225 6.136 1.00 0.00 C ATOM 1132 O PRO A 77 -1.307 10.006 5.188 1.00 0.00 O ATOM 1133 CB PRO A 77 -3.044 7.338 5.823 1.00 0.00 C ATOM 1134 CG PRO A 77 -3.375 6.706 7.165 1.00 0.00 C ATOM 1135 CD PRO A 77 -2.065 6.407 7.875 1.00 0.00 C ATOM 0 HA PRO A 77 -1.077 7.528 4.949 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.671 8.210 5.637 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.221 6.637 5.007 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.988 7.380 7.763 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.951 5.791 7.025 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -2.031 6.878 8.857 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.934 5.336 8.031 1.00 0.00 H new ATOM 1143 N GLU A 78 -1.263 9.579 7.409 1.00 0.00 N ATOM 1144 CA GLU A 78 -1.061 10.968 7.785 1.00 0.00 C ATOM 1145 C GLU A 78 -2.290 11.801 7.414 1.00 0.00 C ATOM 1146 O GLU A 78 -2.253 13.029 7.477 1.00 0.00 O ATOM 1147 CB GLU A 78 0.202 11.534 7.134 1.00 0.00 C ATOM 1148 CG GLU A 78 1.374 11.530 8.118 1.00 0.00 C ATOM 1149 CD GLU A 78 2.430 12.562 7.717 1.00 0.00 C ATOM 1150 OE1 GLU A 78 2.039 13.737 7.544 1.00 0.00 O ATOM 1151 OE2 GLU A 78 3.605 12.154 7.593 1.00 0.00 O ATOM 0 H GLU A 78 -1.314 8.928 8.193 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.925 11.016 8.865 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.459 10.943 6.255 1.00 0.00 H new ATOM 0 HB3 GLU A 78 0.014 12.551 6.791 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.011 11.747 9.122 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.824 10.538 8.149 1.00 0.00 H new ATOM 1158 N GLY A 79 -3.349 11.101 7.036 1.00 0.00 N ATOM 1159 CA GLY A 79 -4.586 11.761 6.655 1.00 0.00 C ATOM 1160 C GLY A 79 -4.836 11.632 5.151 1.00 0.00 C ATOM 1161 O GLY A 79 -5.981 11.665 4.703 1.00 0.00 O ATOM 0 H GLY A 79 -3.376 10.083 6.985 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.420 11.324 7.205 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.540 12.815 6.931 1.00 0.00 H new ATOM 1165 N ARG A 80 -3.745 11.486 4.413 1.00 0.00 N ATOM 1166 CA ARG A 80 -3.832 11.352 2.968 1.00 0.00 C ATOM 1167 C ARG A 80 -4.796 10.224 2.597 1.00 0.00 C ATOM 1168 O ARG A 80 -4.504 9.052 2.827 1.00 0.00 O ATOM 1169 CB ARG A 80 -2.459 11.061 2.359 1.00 0.00 C ATOM 1170 CG ARG A 80 -1.693 12.358 2.088 1.00 0.00 C ATOM 1171 CD ARG A 80 -0.654 12.620 3.180 1.00 0.00 C ATOM 1172 NE ARG A 80 0.511 13.332 2.609 1.00 0.00 N ATOM 1173 CZ ARG A 80 1.424 13.985 3.341 1.00 0.00 C ATOM 1174 NH1 ARG A 80 1.313 14.020 4.676 1.00 0.00 N ATOM 1175 NH2 ARG A 80 2.449 14.603 2.737 1.00 0.00 N ATOM 0 H ARG A 80 -2.797 11.458 4.788 1.00 0.00 H new ATOM 0 HA ARG A 80 -4.202 12.296 2.569 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -1.884 10.429 3.036 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -2.580 10.505 1.429 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -1.199 12.297 1.118 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -2.391 13.193 2.038 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -1.097 13.213 3.980 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.333 11.677 3.622 1.00 0.00 H new ATOM 0 HE ARG A 80 0.626 13.325 1.596 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.533 13.549 5.135 1.00 0.00 H new ATOM 0 HH12 ARG A 80 2.008 14.517 5.233 1.00 0.00 H new ATOM 0 HH21 ARG A 80 2.534 14.576 1.721 1.00 0.00 H new ATOM 0 HH22 ARG A 80 3.144 15.100 3.294 1.00 0.00 H new ATOM 1189 N ALA A 81 -5.926 10.618 2.029 1.00 0.00 N ATOM 1190 CA ALA A 81 -6.936 9.654 1.623 1.00 0.00 C ATOM 1191 C ALA A 81 -6.298 8.611 0.704 1.00 0.00 C ATOM 1192 O ALA A 81 -6.397 7.411 0.958 1.00 0.00 O ATOM 1193 CB ALA A 81 -8.101 10.386 0.954 1.00 0.00 C ATOM 0 H ALA A 81 -6.165 11.591 1.840 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.336 9.129 2.490 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.858 9.663 0.650 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.538 11.095 1.658 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.738 10.922 0.077 1.00 0.00 H new ATOM 1199 N ASP A 82 -5.658 9.105 -0.345 1.00 0.00 N ATOM 1200 CA ASP A 82 -5.004 8.230 -1.304 1.00 0.00 C ATOM 1201 C ASP A 82 -4.315 7.087 -0.556 1.00 0.00 C ATOM 1202 O ASP A 82 -4.497 5.919 -0.897 1.00 0.00 O ATOM 1203 CB ASP A 82 -3.938 8.985 -2.100 1.00 0.00 C ATOM 1204 CG ASP A 82 -4.322 10.409 -2.506 1.00 0.00 C ATOM 1205 OD1 ASP A 82 -5.478 10.581 -2.949 1.00 0.00 O ATOM 1206 OD2 ASP A 82 -3.450 11.294 -2.365 1.00 0.00 O ATOM 0 H ASP A 82 -5.578 10.100 -0.553 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.763 7.851 -1.988 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.024 9.026 -1.507 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.708 8.416 -3.001 1.00 0.00 H new ATOM 1211 N VAL A 83 -3.537 7.463 0.448 1.00 0.00 N ATOM 1212 CA VAL A 83 -2.820 6.484 1.247 1.00 0.00 C ATOM 1213 C VAL A 83 -3.825 5.566 1.946 1.00 0.00 C ATOM 1214 O VAL A 83 -3.821 4.356 1.729 1.00 0.00 O ATOM 1215 CB VAL A 83 -1.878 7.193 2.223 1.00 0.00 C ATOM 1216 CG1 VAL A 83 -1.109 6.181 3.075 1.00 0.00 C ATOM 1217 CG2 VAL A 83 -0.920 8.125 1.480 1.00 0.00 C ATOM 0 H VAL A 83 -3.387 8.433 0.727 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.195 5.857 0.611 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.485 7.802 2.893 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.447 6.711 3.760 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.813 5.576 3.646 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.518 5.534 2.427 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.262 8.616 2.196 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.322 7.546 0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.492 8.878 0.938 1.00 0.00 H new ATOM 1227 N ARG A 84 -4.663 6.179 2.770 1.00 0.00 N ATOM 1228 CA ARG A 84 -5.672 5.432 3.501 1.00 0.00 C ATOM 1229 C ARG A 84 -6.399 4.464 2.566 1.00 0.00 C ATOM 1230 O ARG A 84 -6.587 3.295 2.901 1.00 0.00 O ATOM 1231 CB ARG A 84 -6.694 6.372 4.145 1.00 0.00 C ATOM 1232 CG ARG A 84 -6.054 7.191 5.268 1.00 0.00 C ATOM 1233 CD ARG A 84 -7.117 7.721 6.233 1.00 0.00 C ATOM 1234 NE ARG A 84 -7.514 9.093 5.845 1.00 0.00 N ATOM 1235 CZ ARG A 84 -8.409 9.373 4.888 1.00 0.00 C ATOM 1236 NH1 ARG A 84 -9.005 8.379 4.216 1.00 0.00 N ATOM 1237 NH2 ARG A 84 -8.707 10.648 4.603 1.00 0.00 N ATOM 0 H ARG A 84 -4.664 7.184 2.947 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.165 4.871 4.286 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.104 7.042 3.389 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -7.527 5.792 4.542 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -5.339 6.573 5.812 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -5.496 8.025 4.842 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.988 7.065 6.224 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -6.728 7.720 7.251 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.079 9.874 6.337 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.778 7.409 4.433 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -9.686 8.593 3.488 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -8.253 11.405 5.114 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -9.388 10.862 3.875 1.00 0.00 H new ATOM 1251 N GLN A 85 -6.787 4.986 1.412 1.00 0.00 N ATOM 1252 CA GLN A 85 -7.489 4.182 0.426 1.00 0.00 C ATOM 1253 C GLN A 85 -6.828 2.808 0.293 1.00 0.00 C ATOM 1254 O GLN A 85 -7.448 1.787 0.586 1.00 0.00 O ATOM 1255 CB GLN A 85 -7.543 4.896 -0.926 1.00 0.00 C ATOM 1256 CG GLN A 85 -8.761 4.447 -1.735 1.00 0.00 C ATOM 1257 CD GLN A 85 -9.351 5.613 -2.531 1.00 0.00 C ATOM 1258 OE1 GLN A 85 -8.672 6.561 -2.890 1.00 0.00 O ATOM 1259 NE2 GLN A 85 -10.651 5.491 -2.787 1.00 0.00 N ATOM 0 H GLN A 85 -6.629 5.956 1.138 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.515 4.039 0.766 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.583 5.974 -0.771 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.632 4.688 -1.488 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.474 3.645 -2.416 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.518 4.040 -1.064 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.161 4.671 -2.457 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.138 6.217 -3.313 1.00 0.00 H new ATOM 1268 N ALA A 86 -5.579 2.827 -0.148 1.00 0.00 N ATOM 1269 CA ALA A 86 -4.828 1.596 -0.322 1.00 0.00 C ATOM 1270 C ALA A 86 -4.731 0.868 1.020 1.00 0.00 C ATOM 1271 O ALA A 86 -5.031 -0.322 1.108 1.00 0.00 O ATOM 1272 CB ALA A 86 -3.453 1.916 -0.913 1.00 0.00 C ATOM 0 H ALA A 86 -5.068 3.676 -0.390 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.337 0.932 -1.021 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.889 0.992 -1.044 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.577 2.405 -1.879 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.912 2.579 -0.238 1.00 0.00 H new ATOM 1278 N ARG A 87 -4.311 1.613 2.032 1.00 0.00 N ATOM 1279 CA ARG A 87 -4.171 1.053 3.365 1.00 0.00 C ATOM 1280 C ARG A 87 -5.479 0.391 3.803 1.00 0.00 C ATOM 1281 O ARG A 87 -5.482 -0.458 4.693 1.00 0.00 O ATOM 1282 CB ARG A 87 -3.791 2.134 4.379 1.00 0.00 C ATOM 1283 CG ARG A 87 -3.926 1.614 5.812 1.00 0.00 C ATOM 1284 CD ARG A 87 -2.925 2.303 6.742 1.00 0.00 C ATOM 1285 NE ARG A 87 -3.574 2.632 8.030 1.00 0.00 N ATOM 1286 CZ ARG A 87 -4.670 3.395 8.145 1.00 0.00 C ATOM 1287 NH1 ARG A 87 -5.246 3.911 7.050 1.00 0.00 N ATOM 1288 NH2 ARG A 87 -5.191 3.641 9.355 1.00 0.00 N ATOM 0 H ARG A 87 -4.063 2.599 1.955 1.00 0.00 H new ATOM 0 HA ARG A 87 -3.376 0.308 3.330 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.766 2.460 4.202 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.431 3.006 4.243 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.940 1.787 6.171 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.761 0.537 5.829 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.068 1.652 6.913 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.547 3.212 6.273 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.162 2.255 8.883 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.850 3.723 6.129 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.080 4.492 7.138 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.753 3.248 10.188 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.025 4.222 9.443 1.00 0.00 H new ATOM 1302 N ARG A 88 -6.560 0.804 3.157 1.00 0.00 N ATOM 1303 CA ARG A 88 -7.871 0.261 3.468 1.00 0.00 C ATOM 1304 C ARG A 88 -8.228 -0.859 2.489 1.00 0.00 C ATOM 1305 O ARG A 88 -8.486 -1.989 2.901 1.00 0.00 O ATOM 1306 CB ARG A 88 -8.946 1.348 3.404 1.00 0.00 C ATOM 1307 CG ARG A 88 -10.336 0.733 3.225 1.00 0.00 C ATOM 1308 CD ARG A 88 -11.420 1.813 3.252 1.00 0.00 C ATOM 1309 NE ARG A 88 -12.425 1.495 4.291 1.00 0.00 N ATOM 1310 CZ ARG A 88 -13.418 0.609 4.130 1.00 0.00 C ATOM 1311 NH1 ARG A 88 -13.544 -0.052 2.972 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -14.284 0.385 5.128 1.00 0.00 N ATOM 0 H ARG A 88 -6.554 1.509 2.419 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.833 -0.137 4.482 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -8.922 1.943 4.317 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -8.735 2.026 2.577 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -10.380 0.192 2.280 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -10.521 0.007 4.016 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -10.971 2.786 3.454 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -11.902 1.881 2.277 1.00 0.00 H new ATOM 0 HE ARG A 88 -12.358 1.980 5.186 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -12.884 0.119 2.213 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -14.299 -0.726 2.849 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.187 0.889 6.010 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -15.040 -0.289 5.006 1.00 0.00 H new ATOM 1326 N ASP A 89 -8.232 -0.506 1.212 1.00 0.00 N ATOM 1327 CA ASP A 89 -8.553 -1.468 0.171 1.00 0.00 C ATOM 1328 C ASP A 89 -7.653 -2.696 0.322 1.00 0.00 C ATOM 1329 O ASP A 89 -8.131 -3.828 0.292 1.00 0.00 O ATOM 1330 CB ASP A 89 -8.315 -0.875 -1.219 1.00 0.00 C ATOM 1331 CG ASP A 89 -9.147 -1.500 -2.340 1.00 0.00 C ATOM 1332 OD1 ASP A 89 -8.861 -2.670 -2.674 1.00 0.00 O ATOM 1333 OD2 ASP A 89 -10.050 -0.794 -2.839 1.00 0.00 O ATOM 0 H ASP A 89 -8.018 0.432 0.874 1.00 0.00 H new ATOM 0 HA ASP A 89 -9.604 -1.737 0.273 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -8.527 0.194 -1.183 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -7.259 -0.983 -1.467 1.00 0.00 H new ATOM 1338 N GLY A 90 -6.364 -2.429 0.480 1.00 0.00 N ATOM 1339 CA GLY A 90 -5.393 -3.499 0.636 1.00 0.00 C ATOM 1340 C GLY A 90 -5.780 -4.428 1.788 1.00 0.00 C ATOM 1341 O GLY A 90 -5.727 -5.650 1.649 1.00 0.00 O ATOM 0 H GLY A 90 -5.970 -1.488 0.503 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.325 -4.071 -0.290 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.406 -3.075 0.822 1.00 0.00 H new ATOM 1345 N VAL A 91 -6.162 -3.815 2.898 1.00 0.00 N ATOM 1346 CA VAL A 91 -6.559 -4.573 4.073 1.00 0.00 C ATOM 1347 C VAL A 91 -7.709 -5.512 3.705 1.00 0.00 C ATOM 1348 O VAL A 91 -7.724 -6.671 4.114 1.00 0.00 O ATOM 1349 CB VAL A 91 -6.908 -3.619 5.217 1.00 0.00 C ATOM 1350 CG1 VAL A 91 -7.785 -4.313 6.261 1.00 0.00 C ATOM 1351 CG2 VAL A 91 -5.643 -3.044 5.858 1.00 0.00 C ATOM 0 H VAL A 91 -6.205 -2.802 3.009 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.734 -5.193 4.424 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.478 -2.789 4.799 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.019 -3.613 7.063 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.710 -4.650 5.793 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.252 -5.171 6.672 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.920 -2.369 6.668 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.034 -3.857 6.255 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.072 -2.496 5.108 1.00 0.00 H new ATOM 1361 N ARG A 92 -8.646 -4.975 2.936 1.00 0.00 N ATOM 1362 CA ARG A 92 -9.798 -5.751 2.509 1.00 0.00 C ATOM 1363 C ARG A 92 -9.361 -6.871 1.563 1.00 0.00 C ATOM 1364 O ARG A 92 -9.955 -7.949 1.556 1.00 0.00 O ATOM 1365 CB ARG A 92 -10.825 -4.866 1.800 1.00 0.00 C ATOM 1366 CG ARG A 92 -11.714 -5.694 0.870 1.00 0.00 C ATOM 1367 CD ARG A 92 -12.993 -4.934 0.513 1.00 0.00 C ATOM 1368 NE ARG A 92 -14.019 -5.876 0.015 1.00 0.00 N ATOM 1369 CZ ARG A 92 -14.770 -6.656 0.805 1.00 0.00 C ATOM 1370 NH1 ARG A 92 -14.613 -6.611 2.135 1.00 0.00 N ATOM 1371 NH2 ARG A 92 -15.677 -7.481 0.265 1.00 0.00 N ATOM 0 H ARG A 92 -8.631 -4.013 2.598 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.258 -6.181 3.399 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -11.442 -4.355 2.539 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -10.311 -4.095 1.226 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.166 -5.938 -0.040 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.970 -6.638 1.351 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -13.368 -4.405 1.389 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -12.779 -4.182 -0.246 1.00 0.00 H new ATOM 0 HE ARG A 92 -14.164 -5.936 -0.993 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -13.922 -5.983 2.546 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -15.184 -7.204 2.736 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.796 -7.516 -0.747 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -16.248 -8.075 0.866 1.00 0.00 H new ATOM 1385 N LYS A 93 -8.328 -6.579 0.787 1.00 0.00 N ATOM 1386 CA LYS A 93 -7.805 -7.548 -0.161 1.00 0.00 C ATOM 1387 C LYS A 93 -7.209 -8.732 0.604 1.00 0.00 C ATOM 1388 O LYS A 93 -7.539 -9.884 0.327 1.00 0.00 O ATOM 1389 CB LYS A 93 -6.822 -6.880 -1.124 1.00 0.00 C ATOM 1390 CG LYS A 93 -5.754 -7.871 -1.592 1.00 0.00 C ATOM 1391 CD LYS A 93 -6.366 -8.961 -2.473 1.00 0.00 C ATOM 1392 CE LYS A 93 -5.280 -9.727 -3.231 1.00 0.00 C ATOM 1393 NZ LYS A 93 -5.573 -9.741 -4.682 1.00 0.00 N ATOM 0 H LYS A 93 -7.839 -5.684 0.795 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.607 -7.942 -0.785 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.362 -6.487 -1.986 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.346 -6.032 -0.633 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -4.980 -7.341 -2.147 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.271 -8.326 -0.727 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.940 -9.652 -1.856 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -7.062 -8.513 -3.182 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.309 -9.264 -3.054 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -5.218 -10.749 -2.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.090 -10.548 -5.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.599 -9.828 -4.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.236 -8.856 -5.113 1.00 0.00 H new ATOM 1407 N VAL A 94 -6.341 -8.407 1.550 1.00 0.00 N ATOM 1408 CA VAL A 94 -5.695 -9.429 2.357 1.00 0.00 C ATOM 1409 C VAL A 94 -6.759 -10.202 3.139 1.00 0.00 C ATOM 1410 O VAL A 94 -6.813 -11.430 3.073 1.00 0.00 O ATOM 1411 CB VAL A 94 -4.635 -8.793 3.258 1.00 0.00 C ATOM 1412 CG1 VAL A 94 -3.980 -9.842 4.159 1.00 0.00 C ATOM 1413 CG2 VAL A 94 -3.585 -8.050 2.429 1.00 0.00 C ATOM 0 H VAL A 94 -6.069 -7.450 1.776 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.174 -10.145 1.721 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.133 -8.065 3.899 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.230 -9.363 4.789 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.739 -10.307 4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.503 -10.604 3.543 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.843 -7.607 3.094 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.094 -8.749 1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.069 -7.263 1.850 1.00 0.00 H new ATOM 1423 N GLN A 95 -7.578 -9.453 3.861 1.00 0.00 N ATOM 1424 CA GLN A 95 -8.637 -10.052 4.655 1.00 0.00 C ATOM 1425 C GLN A 95 -9.333 -11.160 3.862 1.00 0.00 C ATOM 1426 O GLN A 95 -9.358 -12.313 4.290 1.00 0.00 O ATOM 1427 CB GLN A 95 -9.641 -8.995 5.118 1.00 0.00 C ATOM 1428 CG GLN A 95 -9.003 -8.034 6.123 1.00 0.00 C ATOM 1429 CD GLN A 95 -9.586 -8.238 7.523 1.00 0.00 C ATOM 1430 OE1 GLN A 95 -10.227 -9.234 7.817 1.00 0.00 O ATOM 1431 NE2 GLN A 95 -9.329 -7.243 8.366 1.00 0.00 N ATOM 0 H GLN A 95 -7.530 -8.435 3.913 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.190 -10.495 5.545 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -10.008 -8.436 4.257 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.503 -9.482 5.573 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -7.925 -8.191 6.148 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -9.168 -7.005 5.803 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -8.786 -6.438 8.054 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -9.675 -7.285 9.325 1.00 0.00 H new ATOM 1440 N THR A 96 -9.880 -10.772 2.720 1.00 0.00 N ATOM 1441 CA THR A 96 -10.575 -11.718 1.863 1.00 0.00 C ATOM 1442 C THR A 96 -9.808 -13.040 1.797 1.00 0.00 C ATOM 1443 O THR A 96 -10.395 -14.110 1.952 1.00 0.00 O ATOM 1444 CB THR A 96 -10.771 -11.061 0.495 1.00 0.00 C ATOM 1445 OG1 THR A 96 -11.808 -10.108 0.713 1.00 0.00 O ATOM 1446 CG2 THR A 96 -11.361 -12.023 -0.538 1.00 0.00 C ATOM 0 H THR A 96 -9.856 -9.815 2.368 1.00 0.00 H new ATOM 0 HA THR A 96 -11.557 -11.967 2.264 1.00 0.00 H new ATOM 0 HB THR A 96 -9.815 -10.683 0.134 1.00 0.00 H new ATOM 0 HG1 THR A 96 -11.415 -9.258 1.002 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.480 -11.506 -1.490 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.691 -12.873 -0.667 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.333 -12.376 -0.193 1.00 0.00 H new ATOM 1454 N ILE A 97 -8.508 -12.923 1.568 1.00 0.00 N ATOM 1455 CA ILE A 97 -7.655 -14.096 1.480 1.00 0.00 C ATOM 1456 C ILE A 97 -7.756 -14.893 2.782 1.00 0.00 C ATOM 1457 O ILE A 97 -8.018 -16.094 2.760 1.00 0.00 O ATOM 1458 CB ILE A 97 -6.226 -13.693 1.114 1.00 0.00 C ATOM 1459 CG1 ILE A 97 -6.195 -12.916 -0.204 1.00 0.00 C ATOM 1460 CG2 ILE A 97 -5.303 -14.913 1.082 1.00 0.00 C ATOM 1461 CD1 ILE A 97 -4.837 -12.243 -0.412 1.00 0.00 C ATOM 0 H ILE A 97 -8.025 -12.034 1.441 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.991 -14.753 0.677 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.851 -13.026 1.890 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.401 -13.592 -1.034 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -6.982 -12.162 -0.204 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.293 -14.598 0.819 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -5.292 -15.387 2.064 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.666 -15.624 0.340 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -4.842 -11.698 -1.356 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.645 -11.550 0.407 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.055 -13.002 -0.435 1.00 0.00 H new ATOM 1473 N LEU A 98 -7.541 -14.192 3.886 1.00 0.00 N ATOM 1474 CA LEU A 98 -7.604 -14.819 5.195 1.00 0.00 C ATOM 1475 C LEU A 98 -8.884 -15.651 5.296 1.00 0.00 C ATOM 1476 O LEU A 98 -8.936 -16.627 6.043 1.00 0.00 O ATOM 1477 CB LEU A 98 -7.464 -13.769 6.299 1.00 0.00 C ATOM 1478 CG LEU A 98 -6.038 -13.478 6.772 1.00 0.00 C ATOM 1479 CD1 LEU A 98 -5.983 -12.186 7.588 1.00 0.00 C ATOM 1480 CD2 LEU A 98 -5.463 -14.668 7.543 1.00 0.00 C ATOM 0 H LEU A 98 -7.323 -13.196 3.900 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.767 -15.504 5.330 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.905 -12.837 5.945 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.051 -14.093 7.158 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.411 -13.330 5.893 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.958 -12.003 7.911 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.324 -11.353 6.973 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.628 -12.280 8.462 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.449 -14.435 7.868 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.085 -14.872 8.414 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.445 -15.546 6.897 1.00 0.00 H new ATOM 1492 N GLU A 99 -9.884 -15.234 4.534 1.00 0.00 N ATOM 1493 CA GLU A 99 -11.160 -15.929 4.529 1.00 0.00 C ATOM 1494 C GLU A 99 -11.142 -17.064 3.504 1.00 0.00 C ATOM 1495 O GLU A 99 -11.850 -18.058 3.660 1.00 0.00 O ATOM 1496 CB GLU A 99 -12.311 -14.959 4.253 1.00 0.00 C ATOM 1497 CG GLU A 99 -13.294 -14.926 5.426 1.00 0.00 C ATOM 1498 CD GLU A 99 -14.445 -13.958 5.150 1.00 0.00 C ATOM 1499 OE1 GLU A 99 -14.186 -12.951 4.456 1.00 0.00 O ATOM 1500 OE2 GLU A 99 -15.559 -14.246 5.638 1.00 0.00 O ATOM 0 H GLU A 99 -9.837 -14.424 3.916 1.00 0.00 H new ATOM 0 HA GLU A 99 -11.321 -16.361 5.517 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -11.914 -13.959 4.078 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -12.833 -15.258 3.344 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -13.690 -15.926 5.602 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -12.772 -14.626 6.334 1.00 0.00 H new ATOM 1507 N LYS A 100 -10.326 -16.878 2.477 1.00 0.00 N ATOM 1508 CA LYS A 100 -10.207 -17.874 1.426 1.00 0.00 C ATOM 1509 C LYS A 100 -9.322 -19.023 1.916 1.00 0.00 C ATOM 1510 O LYS A 100 -9.673 -20.191 1.758 1.00 0.00 O ATOM 1511 CB LYS A 100 -9.714 -17.229 0.129 1.00 0.00 C ATOM 1512 CG LYS A 100 -8.198 -17.375 -0.014 1.00 0.00 C ATOM 1513 CD LYS A 100 -7.699 -16.686 -1.286 1.00 0.00 C ATOM 1514 CE LYS A 100 -8.341 -17.301 -2.531 1.00 0.00 C ATOM 1515 NZ LYS A 100 -7.806 -16.668 -3.757 1.00 0.00 N ATOM 0 H LYS A 100 -9.741 -16.052 2.350 1.00 0.00 H new ATOM 0 HA LYS A 100 -11.183 -18.299 1.192 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.210 -17.693 -0.724 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.984 -16.173 0.118 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.704 -16.943 0.856 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.932 -18.432 -0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.930 -15.622 -1.242 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.615 -16.775 -1.350 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.148 -18.374 -2.555 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.423 -17.173 -2.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.594 -16.346 -4.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.213 -15.854 -3.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.234 -17.359 -4.283 1.00 0.00 H new ATOM 1529 N LEU A 101 -8.193 -18.650 2.500 1.00 0.00 N ATOM 1530 CA LEU A 101 -7.256 -19.634 3.014 1.00 0.00 C ATOM 1531 C LEU A 101 -7.915 -20.414 4.153 1.00 0.00 C ATOM 1532 O LEU A 101 -8.092 -21.627 4.059 1.00 0.00 O ATOM 1533 CB LEU A 101 -5.938 -18.964 3.409 1.00 0.00 C ATOM 1534 CG LEU A 101 -4.886 -19.876 4.043 1.00 0.00 C ATOM 1535 CD1 LEU A 101 -4.810 -19.657 5.555 1.00 0.00 C ATOM 1536 CD2 LEU A 101 -5.146 -21.342 3.689 1.00 0.00 C ATOM 0 H LEU A 101 -7.906 -17.680 2.629 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.000 -20.357 2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.505 -18.507 2.519 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.159 -18.157 4.107 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.912 -19.613 3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -4.055 -20.318 5.981 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.542 -18.620 5.759 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -5.779 -19.877 6.004 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.384 -21.969 4.152 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -6.130 -21.636 4.056 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.110 -21.467 2.607 1.00 0.00 H new ATOM 1548 N GLU A 102 -8.262 -19.684 5.204 1.00 0.00 N ATOM 1549 CA GLU A 102 -8.898 -20.292 6.360 1.00 0.00 C ATOM 1550 C GLU A 102 -9.863 -21.394 5.917 1.00 0.00 C ATOM 1551 O GLU A 102 -9.927 -22.454 6.538 1.00 0.00 O ATOM 1552 CB GLU A 102 -9.618 -19.240 7.206 1.00 0.00 C ATOM 1553 CG GLU A 102 -8.663 -18.601 8.216 1.00 0.00 C ATOM 1554 CD GLU A 102 -9.309 -17.389 8.891 1.00 0.00 C ATOM 1555 OE1 GLU A 102 -10.390 -17.581 9.488 1.00 0.00 O ATOM 1556 OE2 GLU A 102 -8.707 -16.298 8.794 1.00 0.00 O ATOM 0 H GLU A 102 -8.114 -18.677 5.278 1.00 0.00 H new ATOM 0 HA GLU A 102 -8.124 -20.742 6.981 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -10.035 -18.470 6.557 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -10.454 -19.701 7.732 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.382 -19.335 8.971 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -7.746 -18.295 7.712 1.00 0.00 H new ATOM 1563 N GLN A 103 -10.589 -21.105 4.847 1.00 0.00 N ATOM 1564 CA GLN A 103 -11.547 -22.058 4.314 1.00 0.00 C ATOM 1565 C GLN A 103 -10.819 -23.229 3.650 1.00 0.00 C ATOM 1566 O GLN A 103 -11.175 -24.387 3.863 1.00 0.00 O ATOM 1567 CB GLN A 103 -12.506 -21.382 3.332 1.00 0.00 C ATOM 1568 CG GLN A 103 -13.869 -21.131 3.980 1.00 0.00 C ATOM 1569 CD GLN A 103 -14.860 -22.239 3.618 1.00 0.00 C ATOM 1570 OE1 GLN A 103 -14.492 -23.362 3.313 1.00 0.00 O ATOM 1571 NE2 GLN A 103 -16.134 -21.862 3.667 1.00 0.00 N ATOM 0 H GLN A 103 -10.533 -20.225 4.335 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.141 -22.446 5.142 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -12.080 -20.437 2.995 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -12.629 -22.009 2.449 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -13.757 -21.078 5.063 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -14.260 -20.167 3.653 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -16.373 -20.906 3.930 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -16.872 -22.529 3.442 1.00 0.00 H new ATOM 1580 N LYS A 104 -9.812 -22.886 2.860 1.00 0.00 N ATOM 1581 CA LYS A 104 -9.030 -23.894 2.164 1.00 0.00 C ATOM 1582 C LYS A 104 -8.773 -25.073 3.105 1.00 0.00 C ATOM 1583 O LYS A 104 -8.978 -26.227 2.730 1.00 0.00 O ATOM 1584 CB LYS A 104 -7.754 -23.279 1.587 1.00 0.00 C ATOM 1585 CG LYS A 104 -8.062 -22.445 0.342 1.00 0.00 C ATOM 1586 CD LYS A 104 -8.383 -23.343 -0.855 1.00 0.00 C ATOM 1587 CE LYS A 104 -7.165 -24.179 -1.254 1.00 0.00 C ATOM 1588 NZ LYS A 104 -7.539 -25.603 -1.399 1.00 0.00 N ATOM 0 H LYS A 104 -9.520 -21.924 2.686 1.00 0.00 H new ATOM 0 HA LYS A 104 -9.584 -24.282 1.309 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -7.275 -22.652 2.340 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -7.047 -24.069 1.334 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -8.906 -21.785 0.542 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -7.209 -21.809 0.106 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -9.216 -24.002 -0.607 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -8.701 -22.731 -1.699 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -6.753 -23.808 -2.192 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -6.384 -24.077 -0.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -6.680 -26.189 -1.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -8.149 -25.884 -0.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -8.051 -25.738 -2.294 1.00 0.00 H new ATOM 1602 N ALA A 105 -8.330 -24.743 4.308 1.00 0.00 N ATOM 1603 CA ALA A 105 -8.043 -25.760 5.305 1.00 0.00 C ATOM 1604 C ALA A 105 -9.342 -26.469 5.694 1.00 0.00 C ATOM 1605 O ALA A 105 -9.412 -27.697 5.680 1.00 0.00 O ATOM 1606 CB ALA A 105 -7.348 -25.116 6.507 1.00 0.00 C ATOM 0 H ALA A 105 -8.162 -23.785 4.616 1.00 0.00 H new ATOM 0 HA ALA A 105 -7.365 -26.512 4.901 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -7.133 -25.879 7.255 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -6.416 -24.652 6.183 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -7.999 -24.357 6.940 1.00 0.00 H new ATOM 1612 N SER A 106 -10.339 -25.664 6.030 1.00 0.00 N ATOM 1613 CA SER A 106 -11.633 -26.199 6.421 1.00 0.00 C ATOM 1614 C SER A 106 -12.301 -26.880 5.225 1.00 0.00 C ATOM 1615 O SER A 106 -12.709 -26.213 4.276 1.00 0.00 O ATOM 1616 CB SER A 106 -12.537 -25.098 6.979 1.00 0.00 C ATOM 1617 OG SER A 106 -11.845 -23.861 7.127 1.00 0.00 O ATOM 0 H SER A 106 -10.277 -24.646 6.040 1.00 0.00 H new ATOM 0 HA SER A 106 -11.475 -26.936 7.208 1.00 0.00 H new ATOM 0 HB2 SER A 106 -13.390 -24.959 6.315 1.00 0.00 H new ATOM 0 HB3 SER A 106 -12.933 -25.410 7.946 1.00 0.00 H new ATOM 0 HG SER A 106 -12.457 -23.184 7.484 1.00 0.00 H new