USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=13 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 -136:sc= -1.05 (180deg=-1.09) USER MOD Set 1.2: A 64 TYR OH : rot 15:sc= -1.11 USER MOD Single : A 26 HIS : no HD1:sc= -4.76! C(o=-4.8!,f=-15!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 146:sc= 0.0802 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0166 X(o=-0.017,f=0) USER MOD Single : A 44 GLN : amide:sc=-0.00328 K(o=-0.0033,f=-0.89) USER MOD Single : A 48 SER OG : rot -48:sc= 0.554 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -137:sc= -0.0408 (180deg=-0.246) USER MOD Single : A 54 THR OG1 : rot 180:sc= -1.25 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 -140:sc= -0.0896 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0573 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= -0.271 K(o=-0.27,f=-1.5!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.185 K(o=-0.19,f=-3.9!) USER MOD Single : A 96 THR OG1 : rot 82:sc= 0.0268 USER MOD Single : A 100 LYS NZ :NH3+ 153:sc= 0.599 (180deg=0.258) USER MOD Single : A 103 GLN : amide:sc= -0.126 X(o=-0.13,f=0) USER MOD Single : A 104 LYS NZ :NH3+ -179:sc= 0.0727 (180deg=0.0723) USER MOD Single : A 106 SER OG : rot -28:sc= 0.427 USER MOD ----------------------------------------------------------------- ATOM 307 N HIS A 26 2.755 8.611 -4.436 1.00 0.00 N ATOM 308 CA HIS A 26 2.822 8.754 -2.992 1.00 0.00 C ATOM 309 C HIS A 26 3.407 7.480 -2.378 1.00 0.00 C ATOM 310 O HIS A 26 3.030 6.373 -2.758 1.00 0.00 O ATOM 311 CB HIS A 26 1.451 9.114 -2.417 1.00 0.00 C ATOM 312 CG HIS A 26 1.494 9.616 -0.994 1.00 0.00 C ATOM 313 ND1 HIS A 26 1.887 8.822 0.070 1.00 0.00 N ATOM 314 CD2 HIS A 26 1.192 10.839 -0.470 1.00 0.00 C ATOM 315 CE1 HIS A 26 1.819 9.544 1.179 1.00 0.00 C ATOM 316 NE2 HIS A 26 1.387 10.794 0.842 1.00 0.00 N ATOM 0 HA HIS A 26 3.486 9.579 -2.735 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.993 9.877 -3.047 1.00 0.00 H new ATOM 0 HB3 HIS A 26 0.808 8.235 -2.462 1.00 0.00 H new ATOM 0 HD2 HIS A 26 0.852 11.698 -1.028 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.063 9.203 2.174 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.238 11.566 1.491 1.00 0.00 H new ATOM 324 N PRO A 27 4.342 7.685 -1.412 1.00 0.00 N ATOM 325 CA PRO A 27 4.983 6.567 -0.741 1.00 0.00 C ATOM 326 C PRO A 27 4.034 5.917 0.268 1.00 0.00 C ATOM 327 O PRO A 27 4.068 4.703 0.464 1.00 0.00 O ATOM 328 CB PRO A 27 6.225 7.156 -0.094 1.00 0.00 C ATOM 329 CG PRO A 27 5.992 8.657 -0.033 1.00 0.00 C ATOM 330 CD PRO A 27 4.814 8.982 -0.936 1.00 0.00 C ATOM 0 HA PRO A 27 5.251 5.762 -1.426 1.00 0.00 H new ATOM 0 HB2 PRO A 27 6.378 6.744 0.903 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.117 6.923 -0.676 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.786 8.970 0.991 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.882 9.195 -0.358 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.033 9.512 -0.392 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.116 9.622 -1.765 1.00 0.00 H new ATOM 338 N GLY A 28 3.210 6.754 0.881 1.00 0.00 N ATOM 339 CA GLY A 28 2.254 6.275 1.865 1.00 0.00 C ATOM 340 C GLY A 28 1.365 5.177 1.278 1.00 0.00 C ATOM 341 O GLY A 28 0.944 4.267 1.990 1.00 0.00 O ATOM 0 H GLY A 28 3.185 7.760 0.716 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.785 5.891 2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.635 7.104 2.209 1.00 0.00 H new ATOM 345 N VAL A 29 1.106 5.299 -0.016 1.00 0.00 N ATOM 346 CA VAL A 29 0.275 4.328 -0.708 1.00 0.00 C ATOM 347 C VAL A 29 1.120 3.103 -1.066 1.00 0.00 C ATOM 348 O VAL A 29 0.808 1.987 -0.652 1.00 0.00 O ATOM 349 CB VAL A 29 -0.383 4.977 -1.927 1.00 0.00 C ATOM 350 CG1 VAL A 29 -1.377 4.019 -2.588 1.00 0.00 C ATOM 351 CG2 VAL A 29 -1.061 6.295 -1.547 1.00 0.00 C ATOM 0 H VAL A 29 1.457 6.055 -0.603 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.534 3.988 -0.061 1.00 0.00 H new ATOM 0 HB VAL A 29 0.400 5.200 -2.652 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.831 4.505 -3.452 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.855 3.118 -2.911 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.154 3.751 -1.873 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.521 6.736 -2.431 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.827 6.106 -0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.318 6.983 -1.143 1.00 0.00 H new ATOM 361 N LEU A 30 2.173 3.353 -1.830 1.00 0.00 N ATOM 362 CA LEU A 30 3.065 2.285 -2.248 1.00 0.00 C ATOM 363 C LEU A 30 3.351 1.369 -1.056 1.00 0.00 C ATOM 364 O LEU A 30 3.477 0.156 -1.217 1.00 0.00 O ATOM 365 CB LEU A 30 4.325 2.862 -2.897 1.00 0.00 C ATOM 366 CG LEU A 30 4.098 3.797 -4.086 1.00 0.00 C ATOM 367 CD1 LEU A 30 5.159 4.899 -4.127 1.00 0.00 C ATOM 368 CD2 LEU A 30 4.038 3.012 -5.398 1.00 0.00 C ATOM 0 H LEU A 30 2.429 4.280 -2.171 1.00 0.00 H new ATOM 0 HA LEU A 30 2.592 1.672 -3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.886 3.404 -2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.952 2.034 -3.226 1.00 0.00 H new ATOM 0 HG LEU A 30 3.131 4.284 -3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.975 5.550 -4.982 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.112 5.484 -3.208 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.147 4.449 -4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.876 3.701 -6.227 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.978 2.480 -5.547 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.218 2.295 -5.356 1.00 0.00 H new ATOM 380 N LYS A 31 3.445 1.985 0.113 1.00 0.00 N ATOM 381 CA LYS A 31 3.714 1.241 1.332 1.00 0.00 C ATOM 382 C LYS A 31 2.786 0.027 1.398 1.00 0.00 C ATOM 383 O LYS A 31 3.164 -1.021 1.920 1.00 0.00 O ATOM 384 CB LYS A 31 3.615 2.158 2.553 1.00 0.00 C ATOM 385 CG LYS A 31 4.899 2.107 3.383 1.00 0.00 C ATOM 386 CD LYS A 31 5.133 3.430 4.113 1.00 0.00 C ATOM 387 CE LYS A 31 6.509 3.452 4.782 1.00 0.00 C ATOM 388 NZ LYS A 31 6.807 4.802 5.310 1.00 0.00 N ATOM 0 H LYS A 31 3.340 2.991 0.242 1.00 0.00 H new ATOM 0 HA LYS A 31 4.736 0.862 1.329 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.428 3.182 2.229 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.767 1.859 3.169 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.836 1.294 4.107 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.747 1.891 2.734 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.054 4.257 3.408 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.357 3.577 4.864 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.538 2.724 5.592 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.274 3.159 4.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.744 4.799 5.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.800 5.489 4.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.086 5.067 6.011 1.00 0.00 H new ATOM 402 N VAL A 32 1.588 0.207 0.860 1.00 0.00 N ATOM 403 CA VAL A 32 0.603 -0.861 0.851 1.00 0.00 C ATOM 404 C VAL A 32 0.804 -1.724 -0.396 1.00 0.00 C ATOM 405 O VAL A 32 0.826 -2.951 -0.309 1.00 0.00 O ATOM 406 CB VAL A 32 -0.806 -0.273 0.951 1.00 0.00 C ATOM 407 CG1 VAL A 32 -0.795 1.051 1.717 1.00 0.00 C ATOM 408 CG2 VAL A 32 -1.427 -0.099 -0.437 1.00 0.00 C ATOM 0 H VAL A 32 1.278 1.077 0.427 1.00 0.00 H new ATOM 0 HA VAL A 32 0.733 -1.508 1.718 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.424 -0.977 1.509 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.809 1.447 1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.414 0.885 2.725 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.155 1.765 1.200 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.428 0.320 -0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.809 0.574 -1.030 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.487 -1.068 -0.933 1.00 0.00 H new ATOM 418 N GLU A 33 0.946 -1.049 -1.527 1.00 0.00 N ATOM 419 CA GLU A 33 1.144 -1.739 -2.790 1.00 0.00 C ATOM 420 C GLU A 33 2.347 -2.681 -2.698 1.00 0.00 C ATOM 421 O GLU A 33 2.297 -3.807 -3.190 1.00 0.00 O ATOM 422 CB GLU A 33 1.316 -0.743 -3.939 1.00 0.00 C ATOM 423 CG GLU A 33 0.077 0.143 -4.086 1.00 0.00 C ATOM 424 CD GLU A 33 -0.093 0.611 -5.532 1.00 0.00 C ATOM 425 OE1 GLU A 33 0.887 1.176 -6.065 1.00 0.00 O ATOM 426 OE2 GLU A 33 -1.199 0.395 -6.073 1.00 0.00 O ATOM 0 H GLU A 33 0.928 -0.031 -1.595 1.00 0.00 H new ATOM 0 HA GLU A 33 0.255 -2.334 -2.998 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.193 -0.121 -3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.494 -1.282 -4.869 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.809 -0.409 -3.772 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.163 1.008 -3.428 1.00 0.00 H new ATOM 433 N ALA A 34 3.399 -2.185 -2.063 1.00 0.00 N ATOM 434 CA ALA A 34 4.612 -2.968 -1.899 1.00 0.00 C ATOM 435 C ALA A 34 4.281 -4.262 -1.151 1.00 0.00 C ATOM 436 O ALA A 34 4.904 -5.296 -1.387 1.00 0.00 O ATOM 437 CB ALA A 34 5.667 -2.130 -1.176 1.00 0.00 C ATOM 0 H ALA A 34 3.436 -1.250 -1.656 1.00 0.00 H new ATOM 0 HA ALA A 34 5.025 -3.244 -2.869 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.577 -2.718 -1.053 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.888 -1.238 -1.762 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.290 -1.836 -0.196 1.00 0.00 H new ATOM 443 N ILE A 35 3.302 -4.161 -0.265 1.00 0.00 N ATOM 444 CA ILE A 35 2.881 -5.310 0.519 1.00 0.00 C ATOM 445 C ILE A 35 1.927 -6.169 -0.313 1.00 0.00 C ATOM 446 O ILE A 35 2.155 -7.365 -0.488 1.00 0.00 O ATOM 447 CB ILE A 35 2.293 -4.859 1.858 1.00 0.00 C ATOM 448 CG1 ILE A 35 3.337 -4.112 2.691 1.00 0.00 C ATOM 449 CG2 ILE A 35 1.692 -6.042 2.619 1.00 0.00 C ATOM 450 CD1 ILE A 35 2.673 -3.077 3.601 1.00 0.00 C ATOM 0 H ILE A 35 2.788 -3.301 -0.072 1.00 0.00 H new ATOM 0 HA ILE A 35 3.738 -5.935 0.768 1.00 0.00 H new ATOM 0 HB ILE A 35 1.481 -4.160 1.657 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.903 -4.822 3.294 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.049 -3.617 2.030 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.281 -5.694 3.567 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.898 -6.493 2.023 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.468 -6.784 2.810 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.437 -2.560 4.182 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.128 -2.354 2.993 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.980 -3.578 4.277 1.00 0.00 H new ATOM 462 N LEU A 36 0.879 -5.525 -0.805 1.00 0.00 N ATOM 463 CA LEU A 36 -0.110 -6.214 -1.615 1.00 0.00 C ATOM 464 C LEU A 36 0.602 -7.128 -2.614 1.00 0.00 C ATOM 465 O LEU A 36 0.145 -8.239 -2.880 1.00 0.00 O ATOM 466 CB LEU A 36 -1.061 -5.210 -2.270 1.00 0.00 C ATOM 467 CG LEU A 36 -2.376 -4.951 -1.530 1.00 0.00 C ATOM 468 CD1 LEU A 36 -3.320 -4.093 -2.375 1.00 0.00 C ATOM 469 CD2 LEU A 36 -3.029 -6.264 -1.096 1.00 0.00 C ATOM 0 H LEU A 36 0.694 -4.533 -0.658 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.737 -6.850 -0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.536 -4.261 -2.380 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.295 -5.563 -3.274 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.153 -4.388 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.247 -3.924 -1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.846 -3.136 -2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.541 -4.608 -3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.961 -6.051 -0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.237 -6.875 -1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.355 -6.803 -0.431 1.00 0.00 H new ATOM 481 N GLU A 37 1.709 -6.626 -3.141 1.00 0.00 N ATOM 482 CA GLU A 37 2.489 -7.383 -4.106 1.00 0.00 C ATOM 483 C GLU A 37 2.912 -8.727 -3.508 1.00 0.00 C ATOM 484 O GLU A 37 2.775 -9.767 -4.152 1.00 0.00 O ATOM 485 CB GLU A 37 3.707 -6.585 -4.574 1.00 0.00 C ATOM 486 CG GLU A 37 3.816 -6.596 -6.100 1.00 0.00 C ATOM 487 CD GLU A 37 5.278 -6.522 -6.546 1.00 0.00 C ATOM 488 OE1 GLU A 37 5.987 -5.638 -6.019 1.00 0.00 O ATOM 489 OE2 GLU A 37 5.653 -7.350 -7.403 1.00 0.00 O ATOM 0 H GLU A 37 2.085 -5.704 -2.918 1.00 0.00 H new ATOM 0 HA GLU A 37 1.864 -7.575 -4.978 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.631 -5.557 -4.219 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.612 -7.007 -4.138 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.357 -7.503 -6.494 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.263 -5.753 -6.514 1.00 0.00 H new ATOM 496 N LYS A 38 3.416 -8.663 -2.285 1.00 0.00 N ATOM 497 CA LYS A 38 3.859 -9.861 -1.594 1.00 0.00 C ATOM 498 C LYS A 38 2.651 -10.752 -1.301 1.00 0.00 C ATOM 499 O LYS A 38 2.729 -11.973 -1.430 1.00 0.00 O ATOM 500 CB LYS A 38 4.668 -9.493 -0.348 1.00 0.00 C ATOM 501 CG LYS A 38 6.007 -8.859 -0.731 1.00 0.00 C ATOM 502 CD LYS A 38 6.425 -7.801 0.291 1.00 0.00 C ATOM 503 CE LYS A 38 7.860 -7.333 0.041 1.00 0.00 C ATOM 504 NZ LYS A 38 7.934 -6.527 -1.198 1.00 0.00 N ATOM 0 H LYS A 38 3.527 -7.799 -1.754 1.00 0.00 H new ATOM 0 HA LYS A 38 4.535 -10.437 -2.226 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.097 -8.800 0.269 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.843 -10.385 0.253 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.774 -9.631 -0.795 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.929 -8.405 -1.719 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.746 -6.950 0.236 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.343 -8.210 1.298 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.209 -6.742 0.888 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.521 -8.196 -0.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.652 -5.783 -1.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.193 -7.141 -1.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.009 -6.090 -1.383 1.00 0.00 H new ATOM 518 N VAL A 39 1.560 -10.107 -0.912 1.00 0.00 N ATOM 519 CA VAL A 39 0.337 -10.826 -0.600 1.00 0.00 C ATOM 520 C VAL A 39 0.004 -11.781 -1.748 1.00 0.00 C ATOM 521 O VAL A 39 -0.337 -12.940 -1.517 1.00 0.00 O ATOM 522 CB VAL A 39 -0.790 -9.836 -0.301 1.00 0.00 C ATOM 523 CG1 VAL A 39 -2.128 -10.560 -0.136 1.00 0.00 C ATOM 524 CG2 VAL A 39 -0.466 -8.994 0.935 1.00 0.00 C ATOM 0 H VAL A 39 1.498 -9.094 -0.806 1.00 0.00 H new ATOM 0 HA VAL A 39 0.468 -11.430 0.298 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.878 -9.162 -1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.912 -9.833 0.076 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.368 -11.095 -1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.059 -11.269 0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.283 -8.298 1.126 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.338 -9.648 1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.454 -8.435 0.763 1.00 0.00 H new ATOM 534 N GLN A 40 0.115 -11.259 -2.961 1.00 0.00 N ATOM 535 CA GLN A 40 -0.169 -12.050 -4.145 1.00 0.00 C ATOM 536 C GLN A 40 0.513 -13.417 -4.047 1.00 0.00 C ATOM 537 O GLN A 40 -0.042 -14.424 -4.485 1.00 0.00 O ATOM 538 CB GLN A 40 0.262 -11.313 -5.414 1.00 0.00 C ATOM 539 CG GLN A 40 -0.565 -10.041 -5.617 1.00 0.00 C ATOM 540 CD GLN A 40 -1.236 -10.036 -6.991 1.00 0.00 C ATOM 541 OE1 GLN A 40 -2.042 -10.891 -7.320 1.00 0.00 O ATOM 542 NE2 GLN A 40 -0.861 -9.028 -7.773 1.00 0.00 N ATOM 0 H GLN A 40 0.398 -10.297 -3.149 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.246 -12.206 -4.203 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.320 -11.057 -5.349 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.145 -11.969 -6.277 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.324 -9.968 -4.838 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.077 -9.166 -5.519 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.181 -8.346 -7.436 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.253 -8.937 -8.710 1.00 0.00 H new ATOM 551 N GLY A 41 1.705 -13.407 -3.470 1.00 0.00 N ATOM 552 CA GLY A 41 2.469 -14.633 -3.309 1.00 0.00 C ATOM 553 C GLY A 41 1.870 -15.511 -2.208 1.00 0.00 C ATOM 554 O GLY A 41 1.972 -16.735 -2.262 1.00 0.00 O ATOM 0 H GLY A 41 2.161 -12.570 -3.108 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.484 -15.183 -4.250 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.503 -14.392 -3.064 1.00 0.00 H new ATOM 558 N LEU A 42 1.259 -14.850 -1.236 1.00 0.00 N ATOM 559 CA LEU A 42 0.645 -15.555 -0.124 1.00 0.00 C ATOM 560 C LEU A 42 -0.774 -15.973 -0.513 1.00 0.00 C ATOM 561 O LEU A 42 -1.311 -16.939 0.029 1.00 0.00 O ATOM 562 CB LEU A 42 0.709 -14.708 1.149 1.00 0.00 C ATOM 563 CG LEU A 42 2.105 -14.255 1.584 1.00 0.00 C ATOM 564 CD1 LEU A 42 2.020 -13.228 2.714 1.00 0.00 C ATOM 565 CD2 LEU A 42 2.977 -15.454 1.962 1.00 0.00 C ATOM 0 H LEU A 42 1.176 -13.834 -1.195 1.00 0.00 H new ATOM 0 HA LEU A 42 1.197 -16.468 0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.090 -13.823 1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.263 -15.278 1.964 1.00 0.00 H new ATOM 0 HG LEU A 42 2.584 -13.763 0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.025 -12.923 3.004 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.461 -12.357 2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.514 -13.671 3.571 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.963 -15.105 2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.513 -15.996 2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.077 -16.117 1.102 1.00 0.00 H new ATOM 577 N GLU A 43 -1.342 -15.226 -1.448 1.00 0.00 N ATOM 578 CA GLU A 43 -2.688 -15.508 -1.916 1.00 0.00 C ATOM 579 C GLU A 43 -2.712 -16.816 -2.709 1.00 0.00 C ATOM 580 O GLU A 43 -3.580 -17.661 -2.494 1.00 0.00 O ATOM 581 CB GLU A 43 -3.231 -14.349 -2.754 1.00 0.00 C ATOM 582 CG GLU A 43 -4.755 -14.264 -2.651 1.00 0.00 C ATOM 583 CD GLU A 43 -5.417 -15.476 -3.311 1.00 0.00 C ATOM 584 OE1 GLU A 43 -5.207 -15.643 -4.532 1.00 0.00 O ATOM 585 OE2 GLU A 43 -6.118 -16.208 -2.579 1.00 0.00 O ATOM 0 H GLU A 43 -0.894 -14.425 -1.894 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.337 -15.621 -1.048 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.787 -13.412 -2.416 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.940 -14.482 -3.796 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.050 -14.210 -1.603 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.105 -13.349 -3.129 1.00 0.00 H new ATOM 592 N GLN A 44 -1.749 -16.943 -3.610 1.00 0.00 N ATOM 593 CA GLN A 44 -1.649 -18.134 -4.436 1.00 0.00 C ATOM 594 C GLN A 44 -1.561 -19.383 -3.557 1.00 0.00 C ATOM 595 O GLN A 44 -2.202 -20.393 -3.842 1.00 0.00 O ATOM 596 CB GLN A 44 -0.451 -18.044 -5.383 1.00 0.00 C ATOM 597 CG GLN A 44 0.832 -18.510 -4.691 1.00 0.00 C ATOM 598 CD GLN A 44 2.054 -18.263 -5.578 1.00 0.00 C ATOM 599 OE1 GLN A 44 2.090 -17.353 -6.390 1.00 0.00 O ATOM 600 NE2 GLN A 44 3.050 -19.122 -5.378 1.00 0.00 N ATOM 0 H GLN A 44 -1.031 -16.240 -3.786 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.549 -18.206 -5.047 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.635 -18.656 -6.266 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.331 -17.016 -5.726 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.952 -17.982 -3.745 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.758 -19.572 -4.456 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.954 -19.861 -4.682 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.910 -19.041 -5.921 1.00 0.00 H new ATOM 609 N ALA A 45 -0.761 -19.274 -2.506 1.00 0.00 N ATOM 610 CA ALA A 45 -0.581 -20.382 -1.584 1.00 0.00 C ATOM 611 C ALA A 45 -1.943 -20.807 -1.033 1.00 0.00 C ATOM 612 O ALA A 45 -2.188 -21.994 -0.820 1.00 0.00 O ATOM 613 CB ALA A 45 0.394 -19.974 -0.479 1.00 0.00 C ATOM 0 H ALA A 45 -0.230 -18.435 -2.273 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.150 -21.242 -2.097 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.529 -20.806 0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.355 -19.710 -0.921 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.006 -19.115 0.060 1.00 0.00 H new ATOM 619 N VAL A 46 -2.794 -19.815 -0.816 1.00 0.00 N ATOM 620 CA VAL A 46 -4.125 -20.072 -0.293 1.00 0.00 C ATOM 621 C VAL A 46 -4.954 -20.799 -1.354 1.00 0.00 C ATOM 622 O VAL A 46 -5.304 -21.966 -1.181 1.00 0.00 O ATOM 623 CB VAL A 46 -4.766 -18.762 0.171 1.00 0.00 C ATOM 624 CG1 VAL A 46 -6.288 -18.899 0.263 1.00 0.00 C ATOM 625 CG2 VAL A 46 -4.175 -18.306 1.506 1.00 0.00 C ATOM 0 H VAL A 46 -2.588 -18.832 -0.993 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.073 -20.722 0.581 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.543 -17.997 -0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.719 -17.954 0.595 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.690 -19.157 -0.717 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.540 -19.683 0.977 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.647 -17.373 1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.354 -19.070 2.263 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.102 -18.150 1.394 1.00 0.00 H new ATOM 635 N ASP A 47 -5.243 -20.081 -2.429 1.00 0.00 N ATOM 636 CA ASP A 47 -6.024 -20.644 -3.517 1.00 0.00 C ATOM 637 C ASP A 47 -5.441 -22.004 -3.908 1.00 0.00 C ATOM 638 O ASP A 47 -6.135 -22.838 -4.486 1.00 0.00 O ATOM 639 CB ASP A 47 -5.981 -19.740 -4.751 1.00 0.00 C ATOM 640 CG ASP A 47 -7.176 -19.878 -5.696 1.00 0.00 C ATOM 641 OD1 ASP A 47 -7.117 -20.783 -6.556 1.00 0.00 O ATOM 642 OD2 ASP A 47 -8.121 -19.076 -5.537 1.00 0.00 O ATOM 0 H ASP A 47 -4.950 -19.114 -2.570 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.055 -20.742 -3.176 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.916 -18.703 -4.421 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.069 -19.955 -5.309 1.00 0.00 H new ATOM 647 N SER A 48 -4.171 -22.184 -3.576 1.00 0.00 N ATOM 648 CA SER A 48 -3.487 -23.428 -3.884 1.00 0.00 C ATOM 649 C SER A 48 -3.018 -24.102 -2.593 1.00 0.00 C ATOM 650 O SER A 48 -1.941 -24.696 -2.553 1.00 0.00 O ATOM 651 CB SER A 48 -2.299 -23.187 -4.818 1.00 0.00 C ATOM 652 OG SER A 48 -1.697 -24.407 -5.242 1.00 0.00 O ATOM 0 H SER A 48 -3.598 -21.489 -3.097 1.00 0.00 H new ATOM 0 HA SER A 48 -4.190 -24.086 -4.395 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.632 -22.625 -5.690 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.556 -22.574 -4.308 1.00 0.00 H new ATOM 0 HG SER A 48 -1.546 -24.985 -4.465 1.00 0.00 H new ATOM 658 N PHE A 49 -3.850 -23.987 -1.568 1.00 0.00 N ATOM 659 CA PHE A 49 -3.534 -24.578 -0.278 1.00 0.00 C ATOM 660 C PHE A 49 -4.230 -25.930 -0.109 1.00 0.00 C ATOM 661 O PHE A 49 -5.056 -26.315 -0.935 1.00 0.00 O ATOM 662 CB PHE A 49 -4.050 -23.615 0.793 1.00 0.00 C ATOM 663 CG PHE A 49 -4.054 -24.201 2.206 1.00 0.00 C ATOM 664 CD1 PHE A 49 -2.885 -24.345 2.887 1.00 0.00 C ATOM 665 CD2 PHE A 49 -5.227 -24.578 2.783 1.00 0.00 C ATOM 666 CE1 PHE A 49 -2.890 -24.889 4.198 1.00 0.00 C ATOM 667 CE2 PHE A 49 -5.232 -25.121 4.094 1.00 0.00 C ATOM 668 CZ PHE A 49 -4.063 -25.266 4.774 1.00 0.00 C ATOM 0 H PHE A 49 -4.742 -23.494 -1.604 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.459 -24.740 -0.196 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.434 -22.716 0.785 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.064 -23.310 0.534 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.953 -24.045 2.430 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.155 -24.464 2.243 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.962 -25.004 4.738 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.164 -25.419 4.552 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.066 -25.680 5.771 1.00 0.00 H new ATOM 678 N GLU A 50 -3.870 -26.614 0.967 1.00 0.00 N ATOM 679 CA GLU A 50 -4.450 -27.915 1.255 1.00 0.00 C ATOM 680 C GLU A 50 -4.157 -28.318 2.702 1.00 0.00 C ATOM 681 O GLU A 50 -3.002 -28.336 3.123 1.00 0.00 O ATOM 682 CB GLU A 50 -3.936 -28.973 0.276 1.00 0.00 C ATOM 683 CG GLU A 50 -2.514 -29.407 0.636 1.00 0.00 C ATOM 684 CD GLU A 50 -1.772 -29.929 -0.597 1.00 0.00 C ATOM 685 OE1 GLU A 50 -1.871 -29.257 -1.646 1.00 0.00 O ATOM 686 OE2 GLU A 50 -1.122 -30.989 -0.461 1.00 0.00 O ATOM 0 H GLU A 50 -3.184 -26.292 1.650 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.531 -27.846 1.129 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.599 -29.838 0.289 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.953 -28.574 -0.738 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.970 -28.565 1.063 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.549 -30.184 1.400 1.00 0.00 H new ATOM 693 N GLY A 51 -5.224 -28.632 3.422 1.00 0.00 N ATOM 694 CA GLY A 51 -5.096 -29.034 4.813 1.00 0.00 C ATOM 695 C GLY A 51 -6.308 -28.580 5.629 1.00 0.00 C ATOM 696 O GLY A 51 -7.442 -28.655 5.157 1.00 0.00 O ATOM 0 H GLY A 51 -6.181 -28.616 3.069 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.997 -30.118 4.874 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.187 -28.607 5.237 1.00 0.00 H new ATOM 700 N LYS A 52 -6.028 -28.119 6.839 1.00 0.00 N ATOM 701 CA LYS A 52 -7.081 -27.653 7.724 1.00 0.00 C ATOM 702 C LYS A 52 -6.577 -26.448 8.520 1.00 0.00 C ATOM 703 O LYS A 52 -5.486 -25.941 8.261 1.00 0.00 O ATOM 704 CB LYS A 52 -7.591 -28.799 8.601 1.00 0.00 C ATOM 705 CG LYS A 52 -6.441 -29.711 9.032 1.00 0.00 C ATOM 706 CD LYS A 52 -6.563 -31.092 8.383 1.00 0.00 C ATOM 707 CE LYS A 52 -7.067 -32.128 9.389 1.00 0.00 C ATOM 708 NZ LYS A 52 -7.565 -33.332 8.687 1.00 0.00 N ATOM 0 H LYS A 52 -5.087 -28.058 7.227 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.942 -27.317 7.146 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.089 -28.394 9.482 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.334 -29.378 8.053 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.489 -29.258 8.755 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.441 -29.814 10.117 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.247 -31.040 7.536 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.594 -31.401 7.992 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.262 -32.404 10.070 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.864 -31.697 9.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.903 -34.025 9.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.347 -33.067 8.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.795 -33.751 8.128 1.00 0.00 H new ATOM 722 N LYS A 53 -7.394 -26.024 9.473 1.00 0.00 N ATOM 723 CA LYS A 53 -7.044 -24.888 10.309 1.00 0.00 C ATOM 724 C LYS A 53 -6.143 -25.359 11.452 1.00 0.00 C ATOM 725 O LYS A 53 -5.774 -24.571 12.322 1.00 0.00 O ATOM 726 CB LYS A 53 -8.305 -24.160 10.779 1.00 0.00 C ATOM 727 CG LYS A 53 -9.157 -23.714 9.589 1.00 0.00 C ATOM 728 CD LYS A 53 -10.608 -23.477 10.012 1.00 0.00 C ATOM 729 CE LYS A 53 -11.578 -24.194 9.070 1.00 0.00 C ATOM 730 NZ LYS A 53 -12.043 -25.463 9.673 1.00 0.00 N ATOM 0 H LYS A 53 -8.298 -26.447 9.685 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.475 -24.155 9.737 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.889 -24.817 11.423 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.027 -23.292 11.377 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.744 -22.799 9.164 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.122 -24.473 8.807 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.756 -23.833 11.032 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.820 -22.408 10.013 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.432 -23.550 8.859 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.088 -24.395 8.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.040 -26.212 8.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.408 -25.730 10.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.008 -25.340 10.040 1.00 0.00 H new ATOM 744 N THR A 54 -5.815 -26.642 11.414 1.00 0.00 N ATOM 745 CA THR A 54 -4.965 -27.228 12.436 1.00 0.00 C ATOM 746 C THR A 54 -3.588 -27.562 11.858 1.00 0.00 C ATOM 747 O THR A 54 -2.585 -27.517 12.568 1.00 0.00 O ATOM 748 CB THR A 54 -5.691 -28.444 13.016 1.00 0.00 C ATOM 749 OG1 THR A 54 -5.476 -29.470 12.050 1.00 0.00 O ATOM 750 CG2 THR A 54 -7.211 -28.264 13.036 1.00 0.00 C ATOM 0 H THR A 54 -6.123 -27.292 10.691 1.00 0.00 H new ATOM 0 HA THR A 54 -4.781 -26.524 13.247 1.00 0.00 H new ATOM 0 HB THR A 54 -5.334 -28.631 14.029 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.912 -30.296 12.347 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.677 -29.155 13.457 1.00 0.00 H new ATOM 0 HG22 THR A 54 -7.467 -27.398 13.646 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.573 -28.111 12.019 1.00 0.00 H new ATOM 758 N ASP A 55 -3.585 -27.888 10.574 1.00 0.00 N ATOM 759 CA ASP A 55 -2.348 -28.229 9.892 1.00 0.00 C ATOM 760 C ASP A 55 -1.353 -27.076 10.042 1.00 0.00 C ATOM 761 O ASP A 55 -1.706 -25.916 9.834 1.00 0.00 O ATOM 762 CB ASP A 55 -2.587 -28.455 8.398 1.00 0.00 C ATOM 763 CG ASP A 55 -3.262 -29.782 8.044 1.00 0.00 C ATOM 764 OD1 ASP A 55 -3.475 -30.578 8.984 1.00 0.00 O ATOM 765 OD2 ASP A 55 -3.550 -29.969 6.843 1.00 0.00 O ATOM 0 H ASP A 55 -4.419 -27.923 9.988 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.959 -29.144 10.338 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.201 -27.639 8.016 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.629 -28.402 7.880 1.00 0.00 H new ATOM 770 N LYS A 56 -0.130 -27.435 10.403 1.00 0.00 N ATOM 771 CA LYS A 56 0.918 -26.445 10.583 1.00 0.00 C ATOM 772 C LYS A 56 1.014 -25.575 9.328 1.00 0.00 C ATOM 773 O LYS A 56 1.213 -24.365 9.422 1.00 0.00 O ATOM 774 CB LYS A 56 2.236 -27.123 10.963 1.00 0.00 C ATOM 775 CG LYS A 56 3.405 -26.140 10.873 1.00 0.00 C ATOM 776 CD LYS A 56 3.397 -25.169 12.055 1.00 0.00 C ATOM 777 CE LYS A 56 4.665 -24.313 12.070 1.00 0.00 C ATOM 778 NZ LYS A 56 4.801 -23.609 13.365 1.00 0.00 N ATOM 0 H LYS A 56 0.159 -28.398 10.576 1.00 0.00 H new ATOM 0 HA LYS A 56 0.676 -25.782 11.413 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.166 -27.519 11.976 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.417 -27.970 10.302 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.346 -26.689 10.855 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.344 -25.582 9.939 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.520 -24.525 11.995 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.320 -25.727 12.988 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.538 -24.943 11.899 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.631 -23.588 11.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.667 -23.033 13.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.976 -22.993 13.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.856 -24.306 14.135 1.00 0.00 H new ATOM 792 N LYS A 57 0.867 -26.225 8.184 1.00 0.00 N ATOM 793 CA LYS A 57 0.934 -25.526 6.912 1.00 0.00 C ATOM 794 C LYS A 57 0.065 -24.268 6.980 1.00 0.00 C ATOM 795 O LYS A 57 0.549 -23.162 6.744 1.00 0.00 O ATOM 796 CB LYS A 57 0.565 -26.467 5.763 1.00 0.00 C ATOM 797 CG LYS A 57 0.470 -25.705 4.439 1.00 0.00 C ATOM 798 CD LYS A 57 1.737 -25.897 3.604 1.00 0.00 C ATOM 799 CE LYS A 57 2.701 -24.724 3.791 1.00 0.00 C ATOM 800 NZ LYS A 57 2.890 -24.000 2.515 1.00 0.00 N ATOM 0 H LYS A 57 0.702 -27.229 8.111 1.00 0.00 H new ATOM 0 HA LYS A 57 1.954 -25.199 6.710 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.313 -27.256 5.680 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.388 -26.952 5.977 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.397 -26.053 3.877 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.317 -24.644 4.636 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.229 -26.826 3.892 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.472 -25.990 2.551 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.312 -24.043 4.548 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.662 -25.089 4.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.547 -23.207 2.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.282 -24.649 1.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.974 -23.635 2.184 1.00 0.00 H new ATOM 814 N TYR A 58 -1.202 -24.479 7.303 1.00 0.00 N ATOM 815 CA TYR A 58 -2.142 -23.376 7.405 1.00 0.00 C ATOM 816 C TYR A 58 -1.574 -22.250 8.271 1.00 0.00 C ATOM 817 O TYR A 58 -1.596 -21.086 7.875 1.00 0.00 O ATOM 818 CB TYR A 58 -3.389 -23.946 8.085 1.00 0.00 C ATOM 819 CG TYR A 58 -4.539 -22.946 8.216 1.00 0.00 C ATOM 820 CD1 TYR A 58 -5.193 -22.495 7.087 1.00 0.00 C ATOM 821 CD2 TYR A 58 -4.922 -22.494 9.462 1.00 0.00 C ATOM 822 CE1 TYR A 58 -6.275 -21.553 7.211 1.00 0.00 C ATOM 823 CE2 TYR A 58 -6.004 -21.552 9.586 1.00 0.00 C ATOM 824 CZ TYR A 58 -6.627 -21.128 8.454 1.00 0.00 C ATOM 825 OH TYR A 58 -7.649 -20.238 8.570 1.00 0.00 O ATOM 0 H TYR A 58 -1.600 -25.398 7.498 1.00 0.00 H new ATOM 0 HA TYR A 58 -2.355 -22.961 6.420 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.736 -24.811 7.519 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.117 -24.304 9.078 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -4.893 -22.848 6.111 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.410 -22.847 10.345 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.795 -21.192 6.336 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.314 -21.191 10.556 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.428 -19.574 9.256 1.00 0.00 H new ATOM 835 N LEU A 59 -1.078 -22.636 9.438 1.00 0.00 N ATOM 836 CA LEU A 59 -0.505 -21.674 10.363 1.00 0.00 C ATOM 837 C LEU A 59 0.615 -20.902 9.661 1.00 0.00 C ATOM 838 O LEU A 59 0.614 -19.672 9.651 1.00 0.00 O ATOM 839 CB LEU A 59 -0.060 -22.368 11.651 1.00 0.00 C ATOM 840 CG LEU A 59 -1.180 -22.850 12.576 1.00 0.00 C ATOM 841 CD1 LEU A 59 -1.964 -23.997 11.936 1.00 0.00 C ATOM 842 CD2 LEU A 59 -0.630 -23.229 13.952 1.00 0.00 C ATOM 0 H LEU A 59 -1.061 -23.603 9.764 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.255 -20.943 10.665 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.557 -23.226 11.383 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.575 -21.680 12.210 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.878 -22.026 12.725 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.754 -24.321 12.614 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.406 -23.657 10.999 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.291 -24.831 11.738 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.447 -23.568 14.589 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.102 -24.029 13.843 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.153 -22.360 14.405 1.00 0.00 H new ATOM 854 N MET A 60 1.543 -21.657 9.092 1.00 0.00 N ATOM 855 CA MET A 60 2.666 -21.060 8.390 1.00 0.00 C ATOM 856 C MET A 60 2.195 -19.953 7.444 1.00 0.00 C ATOM 857 O MET A 60 2.915 -18.983 7.211 1.00 0.00 O ATOM 858 CB MET A 60 3.399 -22.138 7.589 1.00 0.00 C ATOM 859 CG MET A 60 4.914 -22.016 7.765 1.00 0.00 C ATOM 860 SD MET A 60 5.747 -23.210 6.733 1.00 0.00 S ATOM 861 CE MET A 60 5.410 -22.517 5.123 1.00 0.00 C ATOM 0 H MET A 60 1.540 -22.677 9.103 1.00 0.00 H new ATOM 0 HA MET A 60 3.339 -20.621 9.127 1.00 0.00 H new ATOM 0 HB2 MET A 60 3.070 -23.125 7.914 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.143 -22.049 6.533 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.239 -21.009 7.504 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.181 -22.177 8.809 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.116 -23.313 4.439 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.602 -21.789 5.202 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.306 -22.025 4.744 1.00 0.00 H new ATOM 871 N ILE A 61 0.990 -20.135 6.924 1.00 0.00 N ATOM 872 CA ILE A 61 0.415 -19.164 6.009 1.00 0.00 C ATOM 873 C ILE A 61 -0.320 -18.088 6.810 1.00 0.00 C ATOM 874 O ILE A 61 -0.044 -16.899 6.659 1.00 0.00 O ATOM 875 CB ILE A 61 -0.462 -19.863 4.968 1.00 0.00 C ATOM 876 CG1 ILE A 61 0.382 -20.736 4.037 1.00 0.00 C ATOM 877 CG2 ILE A 61 -1.307 -18.850 4.194 1.00 0.00 C ATOM 878 CD1 ILE A 61 -0.506 -21.643 3.183 1.00 0.00 C ATOM 0 H ILE A 61 0.396 -20.941 7.119 1.00 0.00 H new ATOM 0 HA ILE A 61 1.200 -18.661 5.444 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.152 -20.525 5.492 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.990 -20.103 3.391 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.069 -21.344 4.626 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.921 -19.373 3.461 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.951 -18.309 4.887 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.652 -18.145 3.682 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.118 -22.253 2.530 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.095 -22.291 3.832 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.175 -21.032 2.578 1.00 0.00 H new ATOM 890 N GLU A 62 -1.242 -18.544 7.645 1.00 0.00 N ATOM 891 CA GLU A 62 -2.019 -17.635 8.471 1.00 0.00 C ATOM 892 C GLU A 62 -1.133 -16.502 8.993 1.00 0.00 C ATOM 893 O GLU A 62 -1.562 -15.351 9.053 1.00 0.00 O ATOM 894 CB GLU A 62 -2.692 -18.381 9.625 1.00 0.00 C ATOM 895 CG GLU A 62 -4.101 -17.842 9.879 1.00 0.00 C ATOM 896 CD GLU A 62 -4.906 -18.804 10.756 1.00 0.00 C ATOM 897 OE1 GLU A 62 -4.280 -19.748 11.284 1.00 0.00 O ATOM 898 OE2 GLU A 62 -6.128 -18.572 10.879 1.00 0.00 O ATOM 0 H GLU A 62 -1.469 -19.531 7.767 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.806 -17.200 7.855 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.742 -19.445 9.395 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.091 -18.278 10.529 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.040 -16.867 10.363 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.614 -17.694 8.929 1.00 0.00 H new ATOM 905 N GLU A 63 0.087 -16.869 9.357 1.00 0.00 N ATOM 906 CA GLU A 63 1.038 -15.898 9.872 1.00 0.00 C ATOM 907 C GLU A 63 1.529 -14.987 8.745 1.00 0.00 C ATOM 908 O GLU A 63 1.617 -13.773 8.917 1.00 0.00 O ATOM 909 CB GLU A 63 2.210 -16.594 10.566 1.00 0.00 C ATOM 910 CG GLU A 63 3.379 -16.794 9.599 1.00 0.00 C ATOM 911 CD GLU A 63 4.535 -17.529 10.281 1.00 0.00 C ATOM 912 OE1 GLU A 63 4.267 -18.617 10.836 1.00 0.00 O ATOM 913 OE2 GLU A 63 5.660 -16.988 10.232 1.00 0.00 O ATOM 0 H GLU A 63 0.439 -17.825 9.306 1.00 0.00 H new ATOM 0 HA GLU A 63 0.533 -15.282 10.616 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.537 -16.000 11.419 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.886 -17.559 10.955 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.044 -17.362 8.731 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.723 -15.826 9.234 1.00 0.00 H new ATOM 920 N TYR A 64 1.837 -15.610 7.617 1.00 0.00 N ATOM 921 CA TYR A 64 2.318 -14.870 6.462 1.00 0.00 C ATOM 922 C TYR A 64 1.304 -13.810 6.029 1.00 0.00 C ATOM 923 O TYR A 64 1.681 -12.695 5.671 1.00 0.00 O ATOM 924 CB TYR A 64 2.475 -15.898 5.339 1.00 0.00 C ATOM 925 CG TYR A 64 3.572 -16.934 5.592 1.00 0.00 C ATOM 926 CD1 TYR A 64 4.424 -16.788 6.667 1.00 0.00 C ATOM 927 CD2 TYR A 64 3.709 -18.014 4.744 1.00 0.00 C ATOM 928 CE1 TYR A 64 5.456 -17.763 6.905 1.00 0.00 C ATOM 929 CE2 TYR A 64 4.741 -18.990 4.982 1.00 0.00 C ATOM 930 CZ TYR A 64 5.564 -18.816 6.051 1.00 0.00 C ATOM 931 OH TYR A 64 6.539 -19.737 6.276 1.00 0.00 O ATOM 0 H TYR A 64 1.763 -16.618 7.478 1.00 0.00 H new ATOM 0 HA TYR A 64 3.252 -14.359 6.695 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.526 -16.416 5.199 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.692 -15.374 4.408 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.317 -15.942 7.330 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.042 -18.127 3.902 1.00 0.00 H new ATOM 0 HE1 TYR A 64 6.129 -17.661 7.743 1.00 0.00 H new ATOM 0 HE2 TYR A 64 4.859 -19.840 4.327 1.00 0.00 H new ATOM 0 HH TYR A 64 6.891 -19.626 7.184 1.00 0.00 H new ATOM 941 N LEU A 65 0.037 -14.194 6.076 1.00 0.00 N ATOM 942 CA LEU A 65 -1.034 -13.290 5.693 1.00 0.00 C ATOM 943 C LEU A 65 -1.084 -12.120 6.677 1.00 0.00 C ATOM 944 O LEU A 65 -0.611 -11.026 6.371 1.00 0.00 O ATOM 945 CB LEU A 65 -2.358 -14.048 5.572 1.00 0.00 C ATOM 946 CG LEU A 65 -2.535 -14.890 4.307 1.00 0.00 C ATOM 947 CD1 LEU A 65 -1.337 -15.818 4.093 1.00 0.00 C ATOM 948 CD2 LEU A 65 -3.857 -15.660 4.341 1.00 0.00 C ATOM 0 H LEU A 65 -0.272 -15.119 6.374 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.842 -12.870 4.706 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.460 -14.703 6.438 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.173 -13.326 5.621 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.577 -14.216 3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.489 -16.405 3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.429 -15.223 3.992 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.239 -16.488 4.947 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.958 -16.250 3.430 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.870 -16.323 5.206 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.686 -14.956 4.411 1.00 0.00 H new ATOM 960 N THR A 66 -1.662 -12.389 7.839 1.00 0.00 N ATOM 961 CA THR A 66 -1.779 -11.371 8.869 1.00 0.00 C ATOM 962 C THR A 66 -0.533 -10.484 8.888 1.00 0.00 C ATOM 963 O THR A 66 -0.635 -9.268 9.046 1.00 0.00 O ATOM 964 CB THR A 66 -2.043 -12.076 10.201 1.00 0.00 C ATOM 965 OG1 THR A 66 -3.440 -12.357 10.175 1.00 0.00 O ATOM 966 CG2 THR A 66 -1.874 -11.142 11.402 1.00 0.00 C ATOM 0 H THR A 66 -2.054 -13.297 8.090 1.00 0.00 H new ATOM 0 HA THR A 66 -2.614 -10.699 8.668 1.00 0.00 H new ATOM 0 HB THR A 66 -1.366 -12.924 10.302 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.697 -12.816 11.002 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.073 -11.692 12.322 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.855 -10.757 11.423 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.574 -10.311 11.318 1.00 0.00 H new ATOM 974 N LYS A 67 0.614 -11.126 8.723 1.00 0.00 N ATOM 975 CA LYS A 67 1.878 -10.411 8.719 1.00 0.00 C ATOM 976 C LYS A 67 1.696 -9.065 8.013 1.00 0.00 C ATOM 977 O LYS A 67 2.145 -8.034 8.510 1.00 0.00 O ATOM 978 CB LYS A 67 2.983 -11.278 8.112 1.00 0.00 C ATOM 979 CG LYS A 67 3.959 -11.755 9.189 1.00 0.00 C ATOM 980 CD LYS A 67 4.714 -13.005 8.731 1.00 0.00 C ATOM 981 CE LYS A 67 6.061 -13.125 9.446 1.00 0.00 C ATOM 982 NZ LYS A 67 7.169 -12.783 8.526 1.00 0.00 N ATOM 0 H LYS A 67 0.694 -12.134 8.591 1.00 0.00 H new ATOM 0 HA LYS A 67 2.197 -10.197 9.739 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.541 -12.139 7.610 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.522 -10.709 7.354 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.669 -10.961 9.419 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.414 -11.971 10.108 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.112 -13.891 8.931 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.873 -12.964 7.653 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.081 -12.462 10.311 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.192 -14.140 9.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.076 -12.870 9.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.159 -13.433 7.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.052 -11.806 8.189 1.00 0.00 H new ATOM 996 N GLU A 68 1.035 -9.120 6.866 1.00 0.00 N ATOM 997 CA GLU A 68 0.787 -7.919 6.087 1.00 0.00 C ATOM 998 C GLU A 68 -0.194 -7.003 6.822 1.00 0.00 C ATOM 999 O GLU A 68 0.064 -5.811 6.982 1.00 0.00 O ATOM 1000 CB GLU A 68 0.270 -8.268 4.690 1.00 0.00 C ATOM 1001 CG GLU A 68 1.090 -9.401 4.070 1.00 0.00 C ATOM 1002 CD GLU A 68 0.178 -10.465 3.456 1.00 0.00 C ATOM 1003 OE1 GLU A 68 -0.913 -10.675 4.027 1.00 0.00 O ATOM 1004 OE2 GLU A 68 0.593 -11.044 2.428 1.00 0.00 O ATOM 0 H GLU A 68 0.664 -9.978 6.457 1.00 0.00 H new ATOM 0 HA GLU A 68 1.730 -7.387 5.966 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.778 -8.563 4.749 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.318 -7.387 4.050 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.752 -8.998 3.304 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.723 -9.855 4.832 1.00 0.00 H new ATOM 1011 N LEU A 69 -1.300 -7.595 7.249 1.00 0.00 N ATOM 1012 CA LEU A 69 -2.321 -6.847 7.963 1.00 0.00 C ATOM 1013 C LEU A 69 -1.651 -5.919 8.978 1.00 0.00 C ATOM 1014 O LEU A 69 -1.998 -4.742 9.073 1.00 0.00 O ATOM 1015 CB LEU A 69 -3.347 -7.798 8.582 1.00 0.00 C ATOM 1016 CG LEU A 69 -4.175 -8.625 7.597 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.902 -9.765 8.313 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -5.139 -7.736 6.809 1.00 0.00 C ATOM 0 H LEU A 69 -1.511 -8.584 7.114 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.882 -6.215 7.275 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.823 -8.482 9.249 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.030 -7.213 9.198 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.495 -9.079 6.877 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.483 -10.337 7.590 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.172 -10.419 8.791 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.569 -9.352 9.070 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.715 -8.349 6.116 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.817 -7.233 7.499 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.573 -6.991 6.250 1.00 0.00 H new ATOM 1030 N LEU A 70 -0.704 -6.483 9.713 1.00 0.00 N ATOM 1031 CA LEU A 70 0.018 -5.721 10.718 1.00 0.00 C ATOM 1032 C LEU A 70 0.806 -4.602 10.034 1.00 0.00 C ATOM 1033 O LEU A 70 0.849 -3.477 10.529 1.00 0.00 O ATOM 1034 CB LEU A 70 0.883 -6.648 11.574 1.00 0.00 C ATOM 1035 CG LEU A 70 0.167 -7.360 12.724 1.00 0.00 C ATOM 1036 CD1 LEU A 70 -0.479 -6.353 13.676 1.00 0.00 C ATOM 1037 CD2 LEU A 70 -0.844 -8.378 12.193 1.00 0.00 C ATOM 0 H LEU A 70 -0.420 -7.459 9.633 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.678 -5.245 11.409 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.325 -7.403 10.924 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.705 -6.065 11.989 1.00 0.00 H new ATOM 0 HG LEU A 70 0.910 -7.913 13.298 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.981 -6.886 14.484 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.289 -5.702 14.093 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.207 -5.752 13.131 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.339 -8.870 13.030 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.588 -7.867 11.581 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.327 -9.123 11.589 1.00 0.00 H new ATOM 1049 N ALA A 71 1.410 -4.950 8.908 1.00 0.00 N ATOM 1050 CA ALA A 71 2.194 -3.988 8.151 1.00 0.00 C ATOM 1051 C ALA A 71 1.262 -2.926 7.564 1.00 0.00 C ATOM 1052 O ALA A 71 1.645 -1.765 7.431 1.00 0.00 O ATOM 1053 CB ALA A 71 2.998 -4.720 7.074 1.00 0.00 C ATOM 0 H ALA A 71 1.373 -5.885 8.501 1.00 0.00 H new ATOM 0 HA ALA A 71 2.907 -3.478 8.799 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.586 -3.999 6.506 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.665 -5.442 7.545 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.316 -5.241 6.402 1.00 0.00 H new ATOM 1059 N LEU A 72 0.057 -3.363 7.228 1.00 0.00 N ATOM 1060 CA LEU A 72 -0.932 -2.464 6.657 1.00 0.00 C ATOM 1061 C LEU A 72 -1.354 -1.440 7.714 1.00 0.00 C ATOM 1062 O LEU A 72 -1.627 -0.286 7.390 1.00 0.00 O ATOM 1063 CB LEU A 72 -2.100 -3.257 6.068 1.00 0.00 C ATOM 1064 CG LEU A 72 -1.810 -4.014 4.771 1.00 0.00 C ATOM 1065 CD1 LEU A 72 -2.799 -5.165 4.575 1.00 0.00 C ATOM 1066 CD2 LEU A 72 -1.794 -3.063 3.573 1.00 0.00 C ATOM 0 H LEU A 72 -0.257 -4.327 7.340 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.504 -1.906 5.824 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.440 -3.974 6.815 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.926 -2.569 5.887 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.815 -4.453 4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.571 -5.687 3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.718 -5.860 5.411 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.814 -4.769 4.529 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.586 -3.627 2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.764 -2.575 3.483 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.021 -2.309 3.718 1.00 0.00 H new ATOM 1078 N ASP A 73 -1.393 -1.901 8.955 1.00 0.00 N ATOM 1079 CA ASP A 73 -1.777 -1.040 10.061 1.00 0.00 C ATOM 1080 C ASP A 73 -0.608 -0.119 10.415 1.00 0.00 C ATOM 1081 O ASP A 73 -0.811 1.042 10.764 1.00 0.00 O ATOM 1082 CB ASP A 73 -2.125 -1.862 11.304 1.00 0.00 C ATOM 1083 CG ASP A 73 -3.158 -1.223 12.233 1.00 0.00 C ATOM 1084 OD1 ASP A 73 -2.728 -0.440 13.108 1.00 0.00 O ATOM 1085 OD2 ASP A 73 -4.356 -1.531 12.048 1.00 0.00 O ATOM 0 H ASP A 73 -1.165 -2.859 9.220 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.650 -0.465 9.753 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.498 -2.835 10.985 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.211 -2.041 11.870 1.00 0.00 H new ATOM 1090 N SER A 74 0.592 -0.673 10.312 1.00 0.00 N ATOM 1091 CA SER A 74 1.794 0.084 10.617 1.00 0.00 C ATOM 1092 C SER A 74 1.832 1.365 9.782 1.00 0.00 C ATOM 1093 O SER A 74 2.551 2.306 10.114 1.00 0.00 O ATOM 1094 CB SER A 74 3.050 -0.752 10.364 1.00 0.00 C ATOM 1095 OG SER A 74 4.217 -0.141 10.908 1.00 0.00 O ATOM 0 H SER A 74 0.757 -1.637 10.022 1.00 0.00 H new ATOM 0 HA SER A 74 1.773 0.348 11.674 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.921 -1.742 10.802 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.181 -0.893 9.291 1.00 0.00 H new ATOM 0 HG SER A 74 4.997 -0.706 10.727 1.00 0.00 H new ATOM 1101 N VAL A 75 1.049 1.360 8.713 1.00 0.00 N ATOM 1102 CA VAL A 75 0.984 2.510 7.827 1.00 0.00 C ATOM 1103 C VAL A 75 0.015 3.541 8.408 1.00 0.00 C ATOM 1104 O VAL A 75 -1.054 3.185 8.902 1.00 0.00 O ATOM 1105 CB VAL A 75 0.603 2.062 6.415 1.00 0.00 C ATOM 1106 CG1 VAL A 75 0.392 3.266 5.496 1.00 0.00 C ATOM 1107 CG2 VAL A 75 1.655 1.111 5.839 1.00 0.00 C ATOM 0 H VAL A 75 0.454 0.578 8.440 1.00 0.00 H new ATOM 0 HA VAL A 75 1.961 2.988 7.750 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.340 1.520 6.479 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.122 2.919 4.498 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.409 3.890 5.892 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.312 3.848 5.441 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.360 0.807 4.835 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.619 1.618 5.797 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.736 0.230 6.475 1.00 0.00 H new ATOM 1117 N ASP A 76 0.423 4.799 8.330 1.00 0.00 N ATOM 1118 CA ASP A 76 -0.396 5.885 8.842 1.00 0.00 C ATOM 1119 C ASP A 76 -0.581 6.938 7.748 1.00 0.00 C ATOM 1120 O ASP A 76 0.375 7.605 7.355 1.00 0.00 O ATOM 1121 CB ASP A 76 0.273 6.561 10.041 1.00 0.00 C ATOM 1122 CG ASP A 76 1.695 7.066 9.789 1.00 0.00 C ATOM 1123 OD1 ASP A 76 2.204 6.798 8.679 1.00 0.00 O ATOM 1124 OD2 ASP A 76 2.241 7.708 10.711 1.00 0.00 O ATOM 0 H ASP A 76 1.310 5.091 7.920 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.354 5.468 9.151 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.345 7.402 10.356 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.296 5.855 10.871 1.00 0.00 H new ATOM 1129 N PRO A 77 -1.850 7.059 7.275 1.00 0.00 N ATOM 1130 CA PRO A 77 -2.173 8.020 6.234 1.00 0.00 C ATOM 1131 C PRO A 77 -2.210 9.443 6.794 1.00 0.00 C ATOM 1132 O PRO A 77 -1.861 10.397 6.099 1.00 0.00 O ATOM 1133 CB PRO A 77 -3.513 7.565 5.681 1.00 0.00 C ATOM 1134 CG PRO A 77 -4.110 6.648 6.735 1.00 0.00 C ATOM 1135 CD PRO A 77 -3.008 6.287 7.717 1.00 0.00 C ATOM 0 HA PRO A 77 -1.422 8.054 5.445 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.166 8.417 5.489 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.387 7.041 4.734 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.933 7.143 7.250 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.518 5.750 6.272 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.288 6.543 8.739 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.800 5.217 7.703 1.00 0.00 H new ATOM 1143 N GLU A 78 -2.635 9.542 8.045 1.00 0.00 N ATOM 1144 CA GLU A 78 -2.722 10.833 8.706 1.00 0.00 C ATOM 1145 C GLU A 78 -3.806 11.692 8.053 1.00 0.00 C ATOM 1146 O GLU A 78 -3.789 12.916 8.172 1.00 0.00 O ATOM 1147 CB GLU A 78 -1.370 11.550 8.689 1.00 0.00 C ATOM 1148 CG GLU A 78 -0.302 10.723 9.407 1.00 0.00 C ATOM 1149 CD GLU A 78 0.447 11.571 10.437 1.00 0.00 C ATOM 1150 OE1 GLU A 78 -0.180 12.521 10.954 1.00 0.00 O ATOM 1151 OE2 GLU A 78 1.630 11.251 10.683 1.00 0.00 O ATOM 0 H GLU A 78 -2.923 8.749 8.618 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.996 10.668 9.748 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.063 11.731 7.659 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -1.465 12.524 9.169 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.768 9.871 9.902 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.403 10.322 8.679 1.00 0.00 H new ATOM 1158 N GLY A 79 -4.725 11.017 7.378 1.00 0.00 N ATOM 1159 CA GLY A 79 -5.815 11.703 6.706 1.00 0.00 C ATOM 1160 C GLY A 79 -5.772 11.454 5.197 1.00 0.00 C ATOM 1161 O GLY A 79 -6.808 11.461 4.533 1.00 0.00 O ATOM 0 H GLY A 79 -4.737 10.002 7.282 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.768 11.360 7.108 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.753 12.773 6.904 1.00 0.00 H new ATOM 1165 N ARG A 80 -4.563 11.241 4.699 1.00 0.00 N ATOM 1166 CA ARG A 80 -4.371 10.990 3.280 1.00 0.00 C ATOM 1167 C ARG A 80 -5.392 9.967 2.779 1.00 0.00 C ATOM 1168 O ARG A 80 -5.355 8.803 3.175 1.00 0.00 O ATOM 1169 CB ARG A 80 -2.960 10.473 2.998 1.00 0.00 C ATOM 1170 CG ARG A 80 -1.921 11.579 3.191 1.00 0.00 C ATOM 1171 CD ARG A 80 -1.496 12.173 1.847 1.00 0.00 C ATOM 1172 NE ARG A 80 -0.290 13.012 2.023 1.00 0.00 N ATOM 1173 CZ ARG A 80 0.111 13.944 1.147 1.00 0.00 C ATOM 1174 NH1 ARG A 80 -0.595 14.161 0.029 1.00 0.00 N ATOM 1175 NH2 ARG A 80 1.219 14.659 1.390 1.00 0.00 N ATOM 0 H ARG A 80 -3.706 11.237 5.253 1.00 0.00 H new ATOM 0 HA ARG A 80 -4.511 11.935 2.754 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -2.735 9.638 3.662 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -2.906 10.092 1.978 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -2.334 12.364 3.825 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -1.049 11.178 3.707 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -1.292 11.373 1.135 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -2.307 12.771 1.431 1.00 0.00 H new ATOM 0 HE ARG A 80 0.271 12.872 2.863 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.438 13.617 -0.156 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.290 14.870 -0.637 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.756 14.494 2.241 1.00 0.00 H new ATOM 0 HH22 ARG A 80 1.525 15.368 0.724 1.00 0.00 H new ATOM 1189 N ALA A 81 -6.280 10.437 1.915 1.00 0.00 N ATOM 1190 CA ALA A 81 -7.309 9.578 1.356 1.00 0.00 C ATOM 1191 C ALA A 81 -6.656 8.526 0.457 1.00 0.00 C ATOM 1192 O ALA A 81 -6.902 7.331 0.614 1.00 0.00 O ATOM 1193 CB ALA A 81 -8.335 10.430 0.606 1.00 0.00 C ATOM 0 H ALA A 81 -6.308 11.403 1.588 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.841 9.051 2.148 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -9.107 9.785 0.187 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.791 11.141 1.295 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.839 10.972 -0.199 1.00 0.00 H new ATOM 1199 N ASP A 82 -5.836 9.009 -0.465 1.00 0.00 N ATOM 1200 CA ASP A 82 -5.146 8.125 -1.389 1.00 0.00 C ATOM 1201 C ASP A 82 -4.494 6.984 -0.606 1.00 0.00 C ATOM 1202 O ASP A 82 -4.443 5.850 -1.080 1.00 0.00 O ATOM 1203 CB ASP A 82 -4.044 8.870 -2.144 1.00 0.00 C ATOM 1204 CG ASP A 82 -2.955 9.483 -1.261 1.00 0.00 C ATOM 1205 OD1 ASP A 82 -3.333 10.136 -0.264 1.00 0.00 O ATOM 1206 OD2 ASP A 82 -1.769 9.285 -1.602 1.00 0.00 O ATOM 0 H ASP A 82 -5.634 10.001 -0.592 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.878 7.744 -2.101 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.576 8.180 -2.846 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -4.502 9.664 -2.734 1.00 0.00 H new ATOM 1211 N VAL A 83 -4.011 7.323 0.580 1.00 0.00 N ATOM 1212 CA VAL A 83 -3.364 6.341 1.434 1.00 0.00 C ATOM 1213 C VAL A 83 -4.430 5.571 2.217 1.00 0.00 C ATOM 1214 O VAL A 83 -4.433 4.341 2.223 1.00 0.00 O ATOM 1215 CB VAL A 83 -2.338 7.028 2.338 1.00 0.00 C ATOM 1216 CG1 VAL A 83 -1.678 6.021 3.281 1.00 0.00 C ATOM 1217 CG2 VAL A 83 -1.289 7.773 1.509 1.00 0.00 C ATOM 0 H VAL A 83 -4.055 8.264 0.970 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.814 5.616 0.834 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.866 7.762 2.948 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.953 6.535 3.912 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.439 5.556 3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.170 5.254 2.696 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.572 8.252 2.175 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.768 7.067 0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.779 8.531 0.898 1.00 0.00 H new ATOM 1227 N ARG A 84 -5.309 6.327 2.858 1.00 0.00 N ATOM 1228 CA ARG A 84 -6.377 5.731 3.642 1.00 0.00 C ATOM 1229 C ARG A 84 -7.119 4.679 2.815 1.00 0.00 C ATOM 1230 O ARG A 84 -7.426 3.597 3.313 1.00 0.00 O ATOM 1231 CB ARG A 84 -7.372 6.794 4.114 1.00 0.00 C ATOM 1232 CG ARG A 84 -7.142 7.145 5.585 1.00 0.00 C ATOM 1233 CD ARG A 84 -8.471 7.361 6.312 1.00 0.00 C ATOM 1234 NE ARG A 84 -8.748 8.809 6.440 1.00 0.00 N ATOM 1235 CZ ARG A 84 -9.931 9.317 6.812 1.00 0.00 C ATOM 1236 NH1 ARG A 84 -10.953 8.498 7.095 1.00 0.00 N ATOM 1237 NH2 ARG A 84 -10.092 10.644 6.901 1.00 0.00 N ATOM 0 H ARG A 84 -5.303 7.347 2.850 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.925 5.259 4.515 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.270 7.690 3.502 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.390 6.430 3.978 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.584 6.344 6.071 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.534 8.047 5.657 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.278 6.875 5.764 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.434 6.901 7.299 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.992 9.461 6.232 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.831 7.488 7.027 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.853 8.885 7.378 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -9.314 11.268 6.686 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -10.992 11.031 7.184 1.00 0.00 H new ATOM 1251 N GLN A 85 -7.386 5.034 1.567 1.00 0.00 N ATOM 1252 CA GLN A 85 -8.086 4.134 0.666 1.00 0.00 C ATOM 1253 C GLN A 85 -7.247 2.880 0.411 1.00 0.00 C ATOM 1254 O GLN A 85 -7.675 1.769 0.721 1.00 0.00 O ATOM 1255 CB GLN A 85 -8.437 4.836 -0.647 1.00 0.00 C ATOM 1256 CG GLN A 85 -8.916 3.830 -1.695 1.00 0.00 C ATOM 1257 CD GLN A 85 -10.358 4.122 -2.117 1.00 0.00 C ATOM 1258 OE1 GLN A 85 -10.842 5.239 -2.033 1.00 0.00 O ATOM 1259 NE2 GLN A 85 -11.014 3.059 -2.574 1.00 0.00 N ATOM 0 H GLN A 85 -7.130 5.933 1.158 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.021 3.832 1.139 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.214 5.580 -0.470 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.564 5.370 -1.023 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.263 3.869 -2.567 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.849 2.820 -1.292 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.549 2.152 -2.618 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.982 3.150 -2.881 1.00 0.00 H new ATOM 1268 N ALA A 86 -6.068 3.100 -0.152 1.00 0.00 N ATOM 1269 CA ALA A 86 -5.166 2.002 -0.452 1.00 0.00 C ATOM 1270 C ALA A 86 -5.172 1.009 0.712 1.00 0.00 C ATOM 1271 O ALA A 86 -5.558 -0.147 0.545 1.00 0.00 O ATOM 1272 CB ALA A 86 -3.768 2.553 -0.740 1.00 0.00 C ATOM 0 H ALA A 86 -5.717 4.023 -0.408 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.496 1.468 -1.343 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.091 1.729 -0.965 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.812 3.230 -1.593 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.403 3.094 0.133 1.00 0.00 H new ATOM 1278 N ARG A 87 -4.740 1.497 1.866 1.00 0.00 N ATOM 1279 CA ARG A 87 -4.691 0.667 3.058 1.00 0.00 C ATOM 1280 C ARG A 87 -5.903 -0.266 3.105 1.00 0.00 C ATOM 1281 O ARG A 87 -5.753 -1.478 3.253 1.00 0.00 O ATOM 1282 CB ARG A 87 -4.665 1.523 4.325 1.00 0.00 C ATOM 1283 CG ARG A 87 -3.578 1.044 5.289 1.00 0.00 C ATOM 1284 CD ARG A 87 -3.146 2.170 6.231 1.00 0.00 C ATOM 1285 NE ARG A 87 -3.428 1.791 7.634 1.00 0.00 N ATOM 1286 CZ ARG A 87 -4.633 1.890 8.212 1.00 0.00 C ATOM 1287 NH1 ARG A 87 -5.675 2.358 7.511 1.00 0.00 N ATOM 1288 NH2 ARG A 87 -4.795 1.523 9.490 1.00 0.00 N ATOM 0 H ARG A 87 -4.421 2.456 2.001 1.00 0.00 H new ATOM 0 HA ARG A 87 -3.776 0.077 3.014 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -4.487 2.565 4.060 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.637 1.480 4.817 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.949 0.200 5.871 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.717 0.687 4.724 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.082 2.371 6.107 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.676 3.089 5.980 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.656 1.432 8.196 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.551 2.639 6.538 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.592 2.434 7.950 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.001 1.168 10.023 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.712 1.598 9.930 1.00 0.00 H new ATOM 1302 N ARG A 88 -7.077 0.335 2.976 1.00 0.00 N ATOM 1303 CA ARG A 88 -8.314 -0.427 3.003 1.00 0.00 C ATOM 1304 C ARG A 88 -8.217 -1.629 2.061 1.00 0.00 C ATOM 1305 O ARG A 88 -8.251 -2.775 2.507 1.00 0.00 O ATOM 1306 CB ARG A 88 -9.504 0.441 2.589 1.00 0.00 C ATOM 1307 CG ARG A 88 -10.539 0.524 3.713 1.00 0.00 C ATOM 1308 CD ARG A 88 -11.868 1.077 3.195 1.00 0.00 C ATOM 1309 NE ARG A 88 -12.990 0.250 3.692 1.00 0.00 N ATOM 1310 CZ ARG A 88 -13.479 0.318 4.938 1.00 0.00 C ATOM 1311 NH1 ARG A 88 -12.949 1.176 5.820 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -14.499 -0.472 5.301 1.00 0.00 N ATOM 0 H ARG A 88 -7.198 1.340 2.853 1.00 0.00 H new ATOM 0 HA ARG A 88 -8.469 -0.773 4.025 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -9.157 1.442 2.334 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -9.967 0.027 1.693 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -10.695 -0.466 4.142 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -10.162 1.162 4.513 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -11.994 2.109 3.522 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -11.867 1.086 2.105 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.418 -0.413 3.046 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -12.173 1.778 5.543 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -13.321 1.228 6.768 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.903 -1.125 4.629 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -14.871 -0.421 6.249 1.00 0.00 H new ATOM 1326 N ASP A 89 -8.099 -1.327 0.777 1.00 0.00 N ATOM 1327 CA ASP A 89 -7.997 -2.368 -0.231 1.00 0.00 C ATOM 1328 C ASP A 89 -6.961 -3.402 0.213 1.00 0.00 C ATOM 1329 O ASP A 89 -7.267 -4.589 0.315 1.00 0.00 O ATOM 1330 CB ASP A 89 -7.545 -1.793 -1.574 1.00 0.00 C ATOM 1331 CG ASP A 89 -8.005 -2.579 -2.803 1.00 0.00 C ATOM 1332 OD1 ASP A 89 -7.285 -3.533 -3.169 1.00 0.00 O ATOM 1333 OD2 ASP A 89 -9.068 -2.210 -3.348 1.00 0.00 O ATOM 0 H ASP A 89 -8.072 -0.375 0.411 1.00 0.00 H new ATOM 0 HA ASP A 89 -8.981 -2.822 -0.347 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.914 -0.771 -1.657 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.456 -1.741 -1.582 1.00 0.00 H new ATOM 1338 N GLY A 90 -5.755 -2.914 0.466 1.00 0.00 N ATOM 1339 CA GLY A 90 -4.672 -3.781 0.897 1.00 0.00 C ATOM 1340 C GLY A 90 -5.113 -4.674 2.058 1.00 0.00 C ATOM 1341 O GLY A 90 -4.906 -5.886 2.026 1.00 0.00 O ATOM 0 H GLY A 90 -5.504 -1.929 0.381 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.343 -4.400 0.062 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.818 -3.177 1.202 1.00 0.00 H new ATOM 1345 N VAL A 91 -5.713 -4.041 3.055 1.00 0.00 N ATOM 1346 CA VAL A 91 -6.185 -4.763 4.224 1.00 0.00 C ATOM 1347 C VAL A 91 -7.290 -5.735 3.806 1.00 0.00 C ATOM 1348 O VAL A 91 -7.187 -6.937 4.044 1.00 0.00 O ATOM 1349 CB VAL A 91 -6.634 -3.775 5.303 1.00 0.00 C ATOM 1350 CG1 VAL A 91 -7.428 -4.487 6.401 1.00 0.00 C ATOM 1351 CG2 VAL A 91 -5.438 -3.024 5.890 1.00 0.00 C ATOM 0 H VAL A 91 -5.883 -3.036 3.077 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.379 -5.355 4.659 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.292 -3.043 4.835 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.735 -3.763 7.155 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.311 -4.955 5.966 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.804 -5.251 6.864 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.785 -2.328 6.654 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.744 -3.737 6.336 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.932 -2.471 5.099 1.00 0.00 H new ATOM 1361 N ARG A 92 -8.322 -5.177 3.189 1.00 0.00 N ATOM 1362 CA ARG A 92 -9.445 -5.980 2.735 1.00 0.00 C ATOM 1363 C ARG A 92 -8.948 -7.182 1.929 1.00 0.00 C ATOM 1364 O ARG A 92 -9.503 -8.275 2.031 1.00 0.00 O ATOM 1365 CB ARG A 92 -10.398 -5.154 1.869 1.00 0.00 C ATOM 1366 CG ARG A 92 -11.209 -6.053 0.935 1.00 0.00 C ATOM 1367 CD ARG A 92 -12.441 -5.320 0.400 1.00 0.00 C ATOM 1368 NE ARG A 92 -13.381 -6.287 -0.209 1.00 0.00 N ATOM 1369 CZ ARG A 92 -14.659 -6.009 -0.504 1.00 0.00 C ATOM 1370 NH1 ARG A 92 -15.156 -4.791 -0.248 1.00 0.00 N ATOM 1371 NH2 ARG A 92 -15.439 -6.949 -1.056 1.00 0.00 N ATOM 0 H ARG A 92 -8.404 -4.179 2.993 1.00 0.00 H new ATOM 0 HA ARG A 92 -9.982 -6.327 3.618 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -11.073 -4.584 2.507 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -9.829 -4.433 1.282 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -10.584 -6.376 0.103 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.519 -6.952 1.468 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.934 -4.782 1.210 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -12.140 -4.578 -0.339 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.035 -7.224 -0.417 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -14.562 -4.076 0.171 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -16.128 -4.579 -0.472 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.060 -7.876 -1.252 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -16.411 -6.738 -1.280 1.00 0.00 H new ATOM 1385 N LYS A 93 -7.906 -6.939 1.147 1.00 0.00 N ATOM 1386 CA LYS A 93 -7.328 -7.988 0.324 1.00 0.00 C ATOM 1387 C LYS A 93 -6.932 -9.168 1.214 1.00 0.00 C ATOM 1388 O LYS A 93 -7.612 -10.193 1.231 1.00 0.00 O ATOM 1389 CB LYS A 93 -6.174 -7.436 -0.514 1.00 0.00 C ATOM 1390 CG LYS A 93 -5.426 -8.564 -1.228 1.00 0.00 C ATOM 1391 CD LYS A 93 -5.936 -8.739 -2.661 1.00 0.00 C ATOM 1392 CE LYS A 93 -6.407 -10.174 -2.903 1.00 0.00 C ATOM 1393 NZ LYS A 93 -7.725 -10.179 -3.578 1.00 0.00 N ATOM 0 H LYS A 93 -7.447 -6.032 1.066 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.062 -8.359 -0.391 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -6.559 -6.728 -1.248 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.485 -6.887 0.127 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -4.358 -8.345 -1.242 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.553 -9.496 -0.677 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.757 -8.047 -2.846 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -5.143 -8.489 -3.366 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.677 -10.705 -3.514 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.476 -10.706 -1.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -8.031 -11.161 -3.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -8.423 -9.690 -2.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -7.649 -9.690 -4.492 1.00 0.00 H new ATOM 1407 N VAL A 94 -5.834 -8.984 1.933 1.00 0.00 N ATOM 1408 CA VAL A 94 -5.340 -10.020 2.823 1.00 0.00 C ATOM 1409 C VAL A 94 -6.517 -10.649 3.570 1.00 0.00 C ATOM 1410 O VAL A 94 -6.607 -11.871 3.679 1.00 0.00 O ATOM 1411 CB VAL A 94 -4.277 -9.443 3.760 1.00 0.00 C ATOM 1412 CG1 VAL A 94 -3.610 -10.548 4.581 1.00 0.00 C ATOM 1413 CG2 VAL A 94 -3.237 -8.637 2.979 1.00 0.00 C ATOM 0 H VAL A 94 -5.273 -8.132 1.917 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.856 -10.813 2.253 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.775 -8.765 4.453 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.859 -10.110 5.238 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.362 -11.060 5.181 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.133 -11.262 3.910 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.493 -8.238 3.669 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.747 -9.284 2.251 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.729 -7.814 2.460 1.00 0.00 H new ATOM 1423 N GLN A 95 -7.391 -9.786 4.066 1.00 0.00 N ATOM 1424 CA GLN A 95 -8.560 -10.241 4.800 1.00 0.00 C ATOM 1425 C GLN A 95 -9.279 -11.345 4.021 1.00 0.00 C ATOM 1426 O GLN A 95 -9.441 -12.457 4.521 1.00 0.00 O ATOM 1427 CB GLN A 95 -9.506 -9.078 5.101 1.00 0.00 C ATOM 1428 CG GLN A 95 -8.965 -8.212 6.241 1.00 0.00 C ATOM 1429 CD GLN A 95 -10.024 -7.220 6.727 1.00 0.00 C ATOM 1430 OE1 GLN A 95 -10.484 -6.357 5.998 1.00 0.00 O ATOM 1431 NE2 GLN A 95 -10.383 -7.391 7.996 1.00 0.00 N ATOM 0 H GLN A 95 -7.313 -8.773 3.974 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.228 -10.652 5.753 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -9.635 -8.469 4.206 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.490 -9.464 5.368 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -8.651 -8.848 7.068 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -8.082 -7.670 5.903 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -9.958 -8.134 8.551 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.084 -6.779 8.415 1.00 0.00 H new ATOM 1440 N THR A 96 -9.690 -10.999 2.810 1.00 0.00 N ATOM 1441 CA THR A 96 -10.388 -11.946 1.958 1.00 0.00 C ATOM 1442 C THR A 96 -9.615 -13.264 1.881 1.00 0.00 C ATOM 1443 O THR A 96 -10.213 -14.339 1.866 1.00 0.00 O ATOM 1444 CB THR A 96 -10.601 -11.287 0.594 1.00 0.00 C ATOM 1445 OG1 THR A 96 -11.642 -10.341 0.824 1.00 0.00 O ATOM 1446 CG2 THR A 96 -11.195 -12.250 -0.436 1.00 0.00 C ATOM 0 H THR A 96 -9.553 -10.076 2.399 1.00 0.00 H new ATOM 0 HA THR A 96 -11.365 -12.201 2.368 1.00 0.00 H new ATOM 0 HB THR A 96 -9.650 -10.902 0.225 1.00 0.00 H new ATOM 0 HG1 THR A 96 -11.262 -9.524 1.211 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.326 -11.732 -1.386 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.522 -13.096 -0.574 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.162 -12.610 -0.083 1.00 0.00 H new ATOM 1454 N ILE A 97 -8.297 -13.139 1.835 1.00 0.00 N ATOM 1455 CA ILE A 97 -7.436 -14.307 1.760 1.00 0.00 C ATOM 1456 C ILE A 97 -7.602 -15.140 3.032 1.00 0.00 C ATOM 1457 O ILE A 97 -7.751 -16.359 2.965 1.00 0.00 O ATOM 1458 CB ILE A 97 -5.990 -13.890 1.483 1.00 0.00 C ATOM 1459 CG1 ILE A 97 -5.922 -12.867 0.347 1.00 0.00 C ATOM 1460 CG2 ILE A 97 -5.110 -15.111 1.207 1.00 0.00 C ATOM 1461 CD1 ILE A 97 -4.471 -12.523 0.004 1.00 0.00 C ATOM 0 H ILE A 97 -7.804 -12.246 1.848 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.727 -14.941 0.923 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.598 -13.405 2.377 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.423 -13.264 -0.535 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -6.455 -11.961 0.636 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.088 -14.786 1.013 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -5.123 -15.772 2.074 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.492 -15.646 0.337 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -4.452 -11.794 -0.806 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.979 -12.103 0.882 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.947 -13.426 -0.308 1.00 0.00 H new ATOM 1473 N LEU A 98 -7.571 -14.449 4.162 1.00 0.00 N ATOM 1474 CA LEU A 98 -7.717 -15.110 5.448 1.00 0.00 C ATOM 1475 C LEU A 98 -8.996 -15.950 5.443 1.00 0.00 C ATOM 1476 O LEU A 98 -8.983 -17.110 5.851 1.00 0.00 O ATOM 1477 CB LEU A 98 -7.657 -14.089 6.585 1.00 0.00 C ATOM 1478 CG LEU A 98 -6.274 -13.838 7.190 1.00 0.00 C ATOM 1479 CD1 LEU A 98 -5.514 -15.152 7.384 1.00 0.00 C ATOM 1480 CD2 LEU A 98 -5.481 -12.837 6.348 1.00 0.00 C ATOM 0 H LEU A 98 -7.447 -13.438 4.214 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.886 -15.794 5.621 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.048 -13.141 6.216 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.325 -14.421 7.380 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.408 -13.394 8.177 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.534 -14.946 7.815 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.076 -15.802 8.055 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.389 -15.646 6.420 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.502 -12.676 6.800 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.355 -13.230 5.339 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -6.020 -11.891 6.304 1.00 0.00 H new ATOM 1492 N GLU A 99 -10.070 -15.331 4.975 1.00 0.00 N ATOM 1493 CA GLU A 99 -11.355 -16.008 4.911 1.00 0.00 C ATOM 1494 C GLU A 99 -11.305 -17.146 3.890 1.00 0.00 C ATOM 1495 O GLU A 99 -12.071 -18.104 3.985 1.00 0.00 O ATOM 1496 CB GLU A 99 -12.477 -15.022 4.580 1.00 0.00 C ATOM 1497 CG GLU A 99 -13.576 -15.064 5.644 1.00 0.00 C ATOM 1498 CD GLU A 99 -14.742 -14.150 5.264 1.00 0.00 C ATOM 1499 OE1 GLU A 99 -15.488 -14.537 4.339 1.00 0.00 O ATOM 1500 OE2 GLU A 99 -14.861 -13.085 5.908 1.00 0.00 O ATOM 0 H GLU A 99 -10.077 -14.369 4.637 1.00 0.00 H new ATOM 0 HA GLU A 99 -11.569 -16.435 5.891 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -12.071 -14.013 4.512 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -12.901 -15.262 3.605 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -13.934 -16.087 5.762 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -13.167 -14.757 6.607 1.00 0.00 H new ATOM 1507 N LYS A 100 -10.396 -17.003 2.936 1.00 0.00 N ATOM 1508 CA LYS A 100 -10.237 -18.008 1.898 1.00 0.00 C ATOM 1509 C LYS A 100 -9.507 -19.221 2.477 1.00 0.00 C ATOM 1510 O LYS A 100 -10.033 -20.333 2.460 1.00 0.00 O ATOM 1511 CB LYS A 100 -9.551 -17.405 0.671 1.00 0.00 C ATOM 1512 CG LYS A 100 -9.614 -18.365 -0.519 1.00 0.00 C ATOM 1513 CD LYS A 100 -9.878 -17.607 -1.822 1.00 0.00 C ATOM 1514 CE LYS A 100 -8.584 -17.013 -2.382 1.00 0.00 C ATOM 1515 NZ LYS A 100 -8.744 -16.683 -3.816 1.00 0.00 N ATOM 0 H LYS A 100 -9.763 -16.207 2.860 1.00 0.00 H new ATOM 0 HA LYS A 100 -11.210 -18.357 1.552 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.031 -16.462 0.408 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.511 -17.179 0.906 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.676 -18.915 -0.597 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -10.402 -19.101 -0.356 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.321 -18.281 -2.556 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -10.601 -16.811 -1.644 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.317 -16.116 -1.824 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.766 -17.722 -2.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.098 -15.908 -4.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.522 -17.520 -4.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -9.725 -16.388 -3.997 1.00 0.00 H new ATOM 1529 N LEU A 101 -8.306 -18.967 2.975 1.00 0.00 N ATOM 1530 CA LEU A 101 -7.499 -20.025 3.558 1.00 0.00 C ATOM 1531 C LEU A 101 -8.398 -20.960 4.370 1.00 0.00 C ATOM 1532 O LEU A 101 -8.320 -22.179 4.229 1.00 0.00 O ATOM 1533 CB LEU A 101 -6.341 -19.433 4.365 1.00 0.00 C ATOM 1534 CG LEU A 101 -5.000 -20.160 4.245 1.00 0.00 C ATOM 1535 CD1 LEU A 101 -4.101 -19.853 5.445 1.00 0.00 C ATOM 1536 CD2 LEU A 101 -5.206 -21.664 4.054 1.00 0.00 C ATOM 0 H LEU A 101 -7.872 -18.044 2.987 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.038 -20.626 2.775 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.200 -18.398 4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.629 -19.414 5.416 1.00 0.00 H new ATOM 0 HG LEU A 101 -4.489 -19.790 3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.154 -20.382 5.335 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.914 -18.780 5.494 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.594 -20.178 6.361 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.237 -22.156 3.972 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -5.747 -22.069 4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.781 -21.840 3.145 1.00 0.00 H new ATOM 1548 N GLU A 102 -9.232 -20.352 5.201 1.00 0.00 N ATOM 1549 CA GLU A 102 -10.146 -21.114 6.034 1.00 0.00 C ATOM 1550 C GLU A 102 -10.872 -22.170 5.198 1.00 0.00 C ATOM 1551 O GLU A 102 -10.522 -23.349 5.240 1.00 0.00 O ATOM 1552 CB GLU A 102 -11.143 -20.193 6.740 1.00 0.00 C ATOM 1553 CG GLU A 102 -10.795 -20.042 8.222 1.00 0.00 C ATOM 1554 CD GLU A 102 -11.985 -19.489 9.011 1.00 0.00 C ATOM 1555 OE1 GLU A 102 -12.242 -18.274 8.873 1.00 0.00 O ATOM 1556 OE2 GLU A 102 -12.610 -20.295 9.733 1.00 0.00 O ATOM 0 H GLU A 102 -9.294 -19.340 5.315 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.566 -21.624 6.803 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.141 -19.214 6.261 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -12.151 -20.596 6.639 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.501 -21.009 8.631 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.940 -19.376 8.332 1.00 0.00 H new ATOM 1563 N GLN A 103 -11.870 -21.709 4.458 1.00 0.00 N ATOM 1564 CA GLN A 103 -12.648 -22.599 3.614 1.00 0.00 C ATOM 1565 C GLN A 103 -11.726 -23.571 2.875 1.00 0.00 C ATOM 1566 O GLN A 103 -12.061 -24.742 2.703 1.00 0.00 O ATOM 1567 CB GLN A 103 -13.511 -21.806 2.630 1.00 0.00 C ATOM 1568 CG GLN A 103 -14.993 -21.908 2.994 1.00 0.00 C ATOM 1569 CD GLN A 103 -15.682 -23.010 2.186 1.00 0.00 C ATOM 1570 OE1 GLN A 103 -16.472 -22.758 1.292 1.00 0.00 O ATOM 1571 NE2 GLN A 103 -15.340 -24.242 2.551 1.00 0.00 N ATOM 0 H GLN A 103 -12.157 -20.731 4.426 1.00 0.00 H new ATOM 0 HA GLN A 103 -13.318 -23.177 4.250 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -13.204 -20.760 2.632 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -13.355 -22.182 1.619 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -15.096 -22.115 4.059 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -15.484 -20.953 2.806 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -14.672 -24.382 3.309 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -15.746 -25.047 2.073 1.00 0.00 H new ATOM 1580 N LYS A 104 -10.582 -23.049 2.456 1.00 0.00 N ATOM 1581 CA LYS A 104 -9.609 -23.856 1.740 1.00 0.00 C ATOM 1582 C LYS A 104 -9.210 -25.053 2.604 1.00 0.00 C ATOM 1583 O LYS A 104 -9.104 -26.174 2.109 1.00 0.00 O ATOM 1584 CB LYS A 104 -8.424 -22.996 1.294 1.00 0.00 C ATOM 1585 CG LYS A 104 -8.903 -21.735 0.573 1.00 0.00 C ATOM 1586 CD LYS A 104 -8.562 -21.793 -0.917 1.00 0.00 C ATOM 1587 CE LYS A 104 -9.185 -23.026 -1.574 1.00 0.00 C ATOM 1588 NZ LYS A 104 -9.066 -22.945 -3.047 1.00 0.00 N ATOM 0 H LYS A 104 -10.308 -22.077 2.599 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.045 -24.256 0.825 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -7.825 -22.718 2.161 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -7.779 -23.574 0.633 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -9.980 -21.626 0.699 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.439 -20.857 1.022 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -8.923 -20.891 -1.412 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.480 -21.816 -1.046 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -8.690 -23.927 -1.212 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.235 -23.104 -1.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -9.509 -23.782 -3.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -9.544 -22.086 -3.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -8.061 -22.910 -3.313 1.00 0.00 H new ATOM 1602 N ALA A 105 -8.999 -24.775 3.883 1.00 0.00 N ATOM 1603 CA ALA A 105 -8.613 -25.815 4.821 1.00 0.00 C ATOM 1604 C ALA A 105 -9.832 -26.682 5.144 1.00 0.00 C ATOM 1605 O ALA A 105 -9.738 -27.908 5.167 1.00 0.00 O ATOM 1606 CB ALA A 105 -8.005 -25.176 6.071 1.00 0.00 C ATOM 0 H ALA A 105 -9.088 -23.844 4.291 1.00 0.00 H new ATOM 0 HA ALA A 105 -7.853 -26.463 4.384 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -7.716 -25.957 6.775 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.126 -24.595 5.792 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -8.740 -24.520 6.539 1.00 0.00 H new ATOM 1612 N SER A 106 -10.949 -26.010 5.385 1.00 0.00 N ATOM 1613 CA SER A 106 -12.185 -26.704 5.706 1.00 0.00 C ATOM 1614 C SER A 106 -12.763 -27.351 4.446 1.00 0.00 C ATOM 1615 O SER A 106 -13.801 -28.009 4.503 1.00 0.00 O ATOM 1616 CB SER A 106 -13.206 -25.750 6.329 1.00 0.00 C ATOM 1617 OG SER A 106 -14.369 -26.436 6.784 1.00 0.00 O ATOM 0 H SER A 106 -11.024 -24.993 5.364 1.00 0.00 H new ATOM 0 HA SER A 106 -11.962 -27.481 6.437 1.00 0.00 H new ATOM 0 HB2 SER A 106 -12.746 -25.222 7.165 1.00 0.00 H new ATOM 0 HB3 SER A 106 -13.493 -24.997 5.595 1.00 0.00 H new ATOM 0 HG SER A 106 -14.502 -27.245 6.247 1.00 0.00 H new