USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 823 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 94 MET CE :methyl 153:sc= -0.101 (180deg=-0.264) USER MOD Set 1.2: A 103 HIS :FLIP no HD1:sc= -4.7! C(o=-7.5!,f=-4.8!) USER MOD Set 2.1: A 44 SER OG : rot 180:sc= -0.224 USER MOD Set 2.2: A 61 LYS NZ :NH3+ -132:sc= 1.23 (180deg=0) USER MOD Set 2.3: A 63 GLN : amide:sc= 0.876 K(o=1.9,f=-8!) USER MOD Single : A 27 SER OG : rot 97:sc= 0.926 USER MOD Single : A 31 HIS : no HD1:sc= 0.157 K(o=0.16,f=-2.4!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -5! C(o=-5!,f=-6.1!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 57 ASN : amide:sc= -3.75! C(o=-3.8!,f=-11!) USER MOD Single : A 58 SER OG : rot -148:sc= -0.175 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 31:sc= -0.0515 USER MOD Single : A 73 TYR OH : rot 0:sc= -0.894 USER MOD Single : A 78 SER OG : rot 96:sc= -1.14 USER MOD Single : A 88 SER OG : rot 25:sc= 0.0546 USER MOD Single : A 89 ASN : amide:sc= -0.0174 X(o=-0.017,f=-0.26) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= 0.0694 X(o=0.069,f=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl -151:sc= -0.0739 (180deg=-1.31) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 137:sc= 1.39 (180deg=0.292) USER MOD Single : A 112 THR OG1 : rot -76:sc= 0.746 USER MOD Single : A 114 ASN : amide:sc= 0.0248 K(o=0.025,f=-1) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 SER OG : rot -94:sc= 1.08 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= -0.216 K(o=-0.22,f=-2.3!) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ -162:sc= 0.131 (180deg=0.0443) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 287 N ALA A 21 4.930 7.633 7.460 1.00 0.00 N ATOM 288 CA ALA A 21 3.636 7.124 7.880 1.00 0.00 C ATOM 289 C ALA A 21 3.841 5.989 8.886 1.00 0.00 C ATOM 290 O ALA A 21 4.945 5.465 9.019 1.00 0.00 O ATOM 291 CB ALA A 21 2.839 6.678 6.653 1.00 0.00 C ATOM 0 HA ALA A 21 3.060 7.905 8.376 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.868 6.296 6.969 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.695 7.527 5.984 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.385 5.893 6.130 1.00 0.00 H new ATOM 297 N ALA A 22 2.759 5.644 9.569 1.00 0.00 N ATOM 298 CA ALA A 22 2.806 4.581 10.558 1.00 0.00 C ATOM 299 C ALA A 22 2.551 3.238 9.871 1.00 0.00 C ATOM 300 O ALA A 22 1.639 3.118 9.055 1.00 0.00 O ATOM 301 CB ALA A 22 1.792 4.870 11.667 1.00 0.00 C ATOM 0 H ALA A 22 1.845 6.082 9.457 1.00 0.00 H new ATOM 0 HA ALA A 22 3.791 4.532 11.021 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.827 4.072 12.409 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.035 5.820 12.143 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.791 4.924 11.240 1.00 0.00 H new ATOM 307 N VAL A 23 3.374 2.262 10.226 1.00 0.00 N ATOM 308 CA VAL A 23 3.249 0.932 9.654 1.00 0.00 C ATOM 309 C VAL A 23 2.219 0.132 10.453 1.00 0.00 C ATOM 310 O VAL A 23 2.040 0.362 11.648 1.00 0.00 O ATOM 311 CB VAL A 23 4.620 0.255 9.599 1.00 0.00 C ATOM 312 CG1 VAL A 23 4.481 -1.244 9.326 1.00 0.00 C ATOM 313 CG2 VAL A 23 5.520 0.922 8.557 1.00 0.00 C ATOM 0 H VAL A 23 4.130 2.366 10.903 1.00 0.00 H new ATOM 0 HA VAL A 23 2.889 0.991 8.627 1.00 0.00 H new ATOM 0 HB VAL A 23 5.092 0.375 10.574 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.470 -1.701 9.292 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.895 -1.706 10.121 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.979 -1.395 8.371 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.488 0.421 8.539 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.055 0.849 7.574 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.659 1.972 8.815 1.00 0.00 H new ATOM 323 N ASP A 24 1.567 -0.791 9.761 1.00 0.00 N ATOM 324 CA ASP A 24 0.559 -1.626 10.391 1.00 0.00 C ATOM 325 C ASP A 24 1.248 -2.717 11.213 1.00 0.00 C ATOM 326 O ASP A 24 2.284 -3.242 10.810 1.00 0.00 O ATOM 327 CB ASP A 24 -0.323 -2.309 9.344 1.00 0.00 C ATOM 328 CG ASP A 24 -1.800 -1.914 9.386 1.00 0.00 C ATOM 329 OD1 ASP A 24 -2.068 -0.703 9.227 1.00 0.00 O ATOM 330 OD2 ASP A 24 -2.628 -2.831 9.576 1.00 0.00 O ATOM 0 H ASP A 24 1.717 -0.979 8.770 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.059 -0.989 11.024 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.071 -2.080 8.354 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.247 -3.388 9.475 1.00 0.00 H new ATOM 335 N PRO A 25 0.629 -3.033 12.382 1.00 0.00 N ATOM 336 CA PRO A 25 1.172 -4.051 13.265 1.00 0.00 C ATOM 337 C PRO A 25 0.913 -5.453 12.709 1.00 0.00 C ATOM 338 O PRO A 25 1.589 -6.409 13.087 1.00 0.00 O ATOM 339 CB PRO A 25 0.497 -3.810 14.606 1.00 0.00 C ATOM 340 CG PRO A 25 -0.734 -2.970 14.308 1.00 0.00 C ATOM 341 CD PRO A 25 -0.599 -2.431 12.893 1.00 0.00 C ATOM 0 HA PRO A 25 2.256 -3.988 13.363 1.00 0.00 H new ATOM 0 HB2 PRO A 25 0.222 -4.752 15.079 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.166 -3.292 15.293 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.638 -3.571 14.403 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.819 -2.151 15.022 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.459 -2.705 12.281 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -0.538 -1.343 12.888 1.00 0.00 H new ATOM 349 N ASP A 26 -0.067 -5.531 11.821 1.00 0.00 N ATOM 350 CA ASP A 26 -0.423 -6.800 11.209 1.00 0.00 C ATOM 351 C ASP A 26 0.696 -7.236 10.261 1.00 0.00 C ATOM 352 O ASP A 26 0.845 -8.423 9.977 1.00 0.00 O ATOM 353 CB ASP A 26 -1.712 -6.676 10.394 1.00 0.00 C ATOM 354 CG ASP A 26 -2.979 -6.440 11.219 1.00 0.00 C ATOM 355 OD1 ASP A 26 -3.282 -7.317 12.056 1.00 0.00 O ATOM 356 OD2 ASP A 26 -3.615 -5.388 10.993 1.00 0.00 O ATOM 0 H ASP A 26 -0.626 -4.736 11.511 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.569 -7.529 12.006 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.599 -5.855 9.687 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.842 -7.586 9.808 1.00 0.00 H new ATOM 361 N SER A 27 1.453 -6.252 9.798 1.00 0.00 N ATOM 362 CA SER A 27 2.553 -6.520 8.888 1.00 0.00 C ATOM 363 C SER A 27 3.739 -7.105 9.658 1.00 0.00 C ATOM 364 O SER A 27 4.511 -7.891 9.112 1.00 0.00 O ATOM 365 CB SER A 27 2.976 -5.249 8.147 1.00 0.00 C ATOM 366 OG SER A 27 2.184 -4.125 8.520 1.00 0.00 O ATOM 0 H SER A 27 1.326 -5.268 10.036 1.00 0.00 H new ATOM 0 HA SER A 27 2.216 -7.245 8.148 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.025 -5.039 8.357 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.892 -5.411 7.072 1.00 0.00 H new ATOM 0 HG SER A 27 2.650 -3.612 9.213 1.00 0.00 H new ATOM 372 N GLY A 28 3.845 -6.699 10.915 1.00 0.00 N ATOM 373 CA GLY A 28 4.924 -7.173 11.765 1.00 0.00 C ATOM 374 C GLY A 28 6.153 -6.270 11.648 1.00 0.00 C ATOM 375 O GLY A 28 7.015 -6.272 12.525 1.00 0.00 O ATOM 0 H GLY A 28 3.202 -6.048 11.365 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.588 -7.203 12.802 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.190 -8.193 11.486 1.00 0.00 H new ATOM 379 N LEU A 29 6.194 -5.519 10.556 1.00 0.00 N ATOM 380 CA LEU A 29 7.303 -4.613 10.313 1.00 0.00 C ATOM 381 C LEU A 29 6.965 -3.235 10.886 1.00 0.00 C ATOM 382 O LEU A 29 7.583 -2.237 10.518 1.00 0.00 O ATOM 383 CB LEU A 29 7.659 -4.589 8.825 1.00 0.00 C ATOM 384 CG LEU A 29 7.661 -5.944 8.114 1.00 0.00 C ATOM 385 CD1 LEU A 29 7.909 -7.083 9.106 1.00 0.00 C ATOM 386 CD2 LEU A 29 6.370 -6.148 7.319 1.00 0.00 C ATOM 0 H LEU A 29 5.477 -5.520 9.831 1.00 0.00 H new ATOM 0 HA LEU A 29 8.199 -4.962 10.826 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.954 -3.934 8.314 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.647 -4.142 8.715 1.00 0.00 H new ATOM 0 HG LEU A 29 8.484 -5.954 7.399 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.906 -8.035 8.575 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.876 -6.941 9.589 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.123 -7.086 9.861 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.397 -7.118 6.824 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.516 -6.110 7.996 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.275 -5.361 6.571 1.00 0.00 H new ATOM 398 N GLU A 30 5.985 -3.224 11.778 1.00 0.00 N ATOM 399 CA GLU A 30 5.558 -1.986 12.406 1.00 0.00 C ATOM 400 C GLU A 30 6.709 -1.371 13.205 1.00 0.00 C ATOM 401 O GLU A 30 6.797 -0.151 13.337 1.00 0.00 O ATOM 402 CB GLU A 30 4.334 -2.215 13.294 1.00 0.00 C ATOM 403 CG GLU A 30 4.546 -3.414 14.221 1.00 0.00 C ATOM 404 CD GLU A 30 3.967 -3.142 15.611 1.00 0.00 C ATOM 405 OE1 GLU A 30 3.105 -2.240 15.700 1.00 0.00 O ATOM 406 OE2 GLU A 30 4.398 -3.841 16.552 1.00 0.00 O ATOM 0 H GLU A 30 5.474 -4.054 12.081 1.00 0.00 H new ATOM 0 HA GLU A 30 5.271 -1.285 11.623 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.139 -1.322 13.888 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.455 -2.383 12.672 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.073 -4.297 13.793 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.611 -3.631 14.303 1.00 0.00 H new ATOM 413 N HIS A 31 7.563 -2.245 13.719 1.00 0.00 N ATOM 414 CA HIS A 31 8.704 -1.804 14.502 1.00 0.00 C ATOM 415 C HIS A 31 9.998 -2.266 13.828 1.00 0.00 C ATOM 416 O HIS A 31 11.082 -2.118 14.391 1.00 0.00 O ATOM 417 CB HIS A 31 8.587 -2.282 15.950 1.00 0.00 C ATOM 418 CG HIS A 31 8.239 -3.745 16.088 1.00 0.00 C ATOM 419 ND1 HIS A 31 8.426 -4.659 15.066 1.00 0.00 N ATOM 420 CD2 HIS A 31 7.714 -4.441 17.137 1.00 0.00 C ATOM 421 CE1 HIS A 31 8.028 -5.849 15.492 1.00 0.00 C ATOM 422 NE2 HIS A 31 7.587 -5.712 16.775 1.00 0.00 N ATOM 0 H HIS A 31 7.487 -3.256 13.608 1.00 0.00 H new ATOM 0 HA HIS A 31 8.724 -0.715 14.541 1.00 0.00 H new ATOM 0 HB2 HIS A 31 9.531 -2.094 16.461 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.826 -1.689 16.457 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.447 -4.028 18.099 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.049 -6.767 14.923 1.00 0.00 H new ATOM 0 HE2 HIS A 31 7.220 -6.462 17.360 1.00 0.00 H new ATOM 430 N SER A 32 9.842 -2.815 12.633 1.00 0.00 N ATOM 431 CA SER A 32 10.984 -3.299 11.876 1.00 0.00 C ATOM 432 C SER A 32 11.188 -2.439 10.628 1.00 0.00 C ATOM 433 O SER A 32 12.266 -1.883 10.422 1.00 0.00 O ATOM 434 CB SER A 32 10.803 -4.767 11.485 1.00 0.00 C ATOM 435 OG SER A 32 12.037 -5.480 11.502 1.00 0.00 O ATOM 0 H SER A 32 8.941 -2.936 12.170 1.00 0.00 H new ATOM 0 HA SER A 32 11.869 -3.225 12.508 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.101 -5.241 12.171 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.364 -4.825 10.489 1.00 0.00 H new ATOM 0 HG SER A 32 11.879 -6.413 11.249 1.00 0.00 H new ATOM 441 N ALA A 33 10.136 -2.355 9.827 1.00 0.00 N ATOM 442 CA ALA A 33 10.186 -1.571 8.605 1.00 0.00 C ATOM 443 C ALA A 33 9.334 -0.312 8.776 1.00 0.00 C ATOM 444 O ALA A 33 8.691 -0.129 9.809 1.00 0.00 O ATOM 445 CB ALA A 33 9.724 -2.432 7.427 1.00 0.00 C ATOM 0 H ALA A 33 9.244 -2.817 10.001 1.00 0.00 H new ATOM 0 HA ALA A 33 11.207 -1.252 8.396 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.761 -1.844 6.510 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.379 -3.298 7.330 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.702 -2.768 7.601 1.00 0.00 H new ATOM 451 N HIS A 34 9.356 0.523 7.748 1.00 0.00 N ATOM 452 CA HIS A 34 8.594 1.760 7.771 1.00 0.00 C ATOM 453 C HIS A 34 7.910 1.967 6.419 1.00 0.00 C ATOM 454 O HIS A 34 8.330 1.397 5.413 1.00 0.00 O ATOM 455 CB HIS A 34 9.483 2.939 8.173 1.00 0.00 C ATOM 456 CG HIS A 34 10.573 3.253 7.176 1.00 0.00 C ATOM 457 ND1 HIS A 34 11.826 2.666 7.225 1.00 0.00 N ATOM 458 CD2 HIS A 34 10.584 4.096 6.104 1.00 0.00 C ATOM 459 CE1 HIS A 34 12.550 3.144 6.224 1.00 0.00 C ATOM 460 NE2 HIS A 34 11.780 4.030 5.531 1.00 0.00 N ATOM 0 H HIS A 34 9.890 0.367 6.893 1.00 0.00 H new ATOM 0 HA HIS A 34 7.812 1.695 8.528 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.859 3.823 8.305 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.939 2.724 9.139 1.00 0.00 H new ATOM 0 HD2 HIS A 34 9.760 4.713 5.777 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.572 2.878 5.997 1.00 0.00 H new ATOM 0 HE2 HIS A 34 12.074 4.556 4.708 1.00 0.00 H new ATOM 468 N VAL A 35 6.867 2.784 6.438 1.00 0.00 N ATOM 469 CA VAL A 35 6.120 3.073 5.226 1.00 0.00 C ATOM 470 C VAL A 35 7.086 3.548 4.138 1.00 0.00 C ATOM 471 O VAL A 35 7.727 4.588 4.284 1.00 0.00 O ATOM 472 CB VAL A 35 5.011 4.084 5.523 1.00 0.00 C ATOM 473 CG1 VAL A 35 4.225 4.424 4.255 1.00 0.00 C ATOM 474 CG2 VAL A 35 4.080 3.569 6.623 1.00 0.00 C ATOM 0 H VAL A 35 6.522 3.255 7.274 1.00 0.00 H new ATOM 0 HA VAL A 35 5.630 2.173 4.856 1.00 0.00 H new ATOM 0 HB VAL A 35 5.480 5.000 5.882 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.443 5.145 4.494 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.899 4.853 3.513 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.773 3.517 3.853 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.301 4.307 6.815 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.623 2.633 6.304 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.653 3.401 7.535 1.00 0.00 H new ATOM 484 N LEU A 36 7.159 2.764 3.073 1.00 0.00 N ATOM 485 CA LEU A 36 8.036 3.091 1.961 1.00 0.00 C ATOM 486 C LEU A 36 7.712 4.500 1.460 1.00 0.00 C ATOM 487 O LEU A 36 6.610 4.752 0.974 1.00 0.00 O ATOM 488 CB LEU A 36 7.949 2.017 0.876 1.00 0.00 C ATOM 489 CG LEU A 36 9.157 1.905 -0.056 1.00 0.00 C ATOM 490 CD1 LEU A 36 8.741 2.085 -1.517 1.00 0.00 C ATOM 491 CD2 LEU A 36 10.257 2.888 0.352 1.00 0.00 C ATOM 0 H LEU A 36 6.625 1.903 2.956 1.00 0.00 H new ATOM 0 HA LEU A 36 9.077 3.099 2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.798 1.052 1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.064 2.212 0.270 1.00 0.00 H new ATOM 0 HG LEU A 36 9.570 0.901 0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.618 2.001 -2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.019 1.315 -1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.289 3.068 -1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.104 2.788 -0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.871 3.906 0.303 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.580 2.671 1.370 1.00 0.00 H new ATOM 503 N GLU A 37 8.691 5.381 1.594 1.00 0.00 N ATOM 504 CA GLU A 37 8.524 6.758 1.160 1.00 0.00 C ATOM 505 C GLU A 37 9.308 7.007 -0.130 1.00 0.00 C ATOM 506 O GLU A 37 10.391 6.456 -0.319 1.00 0.00 O ATOM 507 CB GLU A 37 8.952 7.735 2.258 1.00 0.00 C ATOM 508 CG GLU A 37 7.737 8.268 3.021 1.00 0.00 C ATOM 509 CD GLU A 37 8.122 8.685 4.442 1.00 0.00 C ATOM 510 OE1 GLU A 37 8.587 7.796 5.187 1.00 0.00 O ATOM 511 OE2 GLU A 37 7.941 9.883 4.750 1.00 0.00 O ATOM 0 H GLU A 37 9.604 5.169 1.997 1.00 0.00 H new ATOM 0 HA GLU A 37 7.466 6.929 0.959 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.630 7.236 2.950 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.502 8.566 1.816 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.315 9.121 2.490 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.963 7.502 3.060 1.00 0.00 H new ATOM 518 N LYS A 38 8.729 7.837 -0.985 1.00 0.00 N ATOM 519 CA LYS A 38 9.359 8.166 -2.252 1.00 0.00 C ATOM 520 C LYS A 38 8.911 9.560 -2.694 1.00 0.00 C ATOM 521 O LYS A 38 7.770 9.954 -2.455 1.00 0.00 O ATOM 522 CB LYS A 38 9.082 7.074 -3.288 1.00 0.00 C ATOM 523 CG LYS A 38 10.195 7.018 -4.336 1.00 0.00 C ATOM 524 CD LYS A 38 10.233 5.650 -5.021 1.00 0.00 C ATOM 525 CE LYS A 38 9.519 5.694 -6.374 1.00 0.00 C ATOM 526 NZ LYS A 38 10.494 5.562 -7.479 1.00 0.00 N ATOM 0 H LYS A 38 7.830 8.292 -0.825 1.00 0.00 H new ATOM 0 HA LYS A 38 10.443 8.200 -2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.998 6.108 -2.790 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.127 7.265 -3.777 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.038 7.798 -5.081 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.156 7.219 -3.863 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.268 5.339 -5.162 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.760 4.905 -4.380 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.785 4.890 -6.431 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.973 6.632 -6.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.993 5.594 -8.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.179 6.343 -7.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.997 4.656 -7.392 1.00 0.00 H new ATOM 540 N GLY A 39 9.832 10.270 -3.329 1.00 0.00 N ATOM 541 CA GLY A 39 9.545 11.612 -3.806 1.00 0.00 C ATOM 542 C GLY A 39 8.788 12.419 -2.750 1.00 0.00 C ATOM 543 O GLY A 39 7.831 13.123 -3.070 1.00 0.00 O ATOM 0 H GLY A 39 10.778 9.941 -3.524 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.476 12.119 -4.058 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.954 11.558 -4.720 1.00 0.00 H new ATOM 547 N GLY A 40 9.244 12.290 -1.513 1.00 0.00 N ATOM 548 CA GLY A 40 8.621 12.998 -0.408 1.00 0.00 C ATOM 549 C GLY A 40 7.144 12.621 -0.277 1.00 0.00 C ATOM 550 O GLY A 40 6.321 13.445 0.118 1.00 0.00 O ATOM 0 H GLY A 40 10.038 11.705 -1.251 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.143 12.763 0.519 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.713 14.073 -0.562 1.00 0.00 H new ATOM 554 N LYS A 41 6.853 11.374 -0.617 1.00 0.00 N ATOM 555 CA LYS A 41 5.489 10.877 -0.543 1.00 0.00 C ATOM 556 C LYS A 41 5.467 9.582 0.272 1.00 0.00 C ATOM 557 O LYS A 41 6.497 8.929 0.435 1.00 0.00 O ATOM 558 CB LYS A 41 4.895 10.731 -1.945 1.00 0.00 C ATOM 559 CG LYS A 41 4.448 12.088 -2.494 1.00 0.00 C ATOM 560 CD LYS A 41 2.956 12.316 -2.244 1.00 0.00 C ATOM 561 CE LYS A 41 2.126 11.894 -3.458 1.00 0.00 C ATOM 562 NZ LYS A 41 0.864 12.664 -3.516 1.00 0.00 N ATOM 0 H LYS A 41 7.538 10.693 -0.944 1.00 0.00 H new ATOM 0 HA LYS A 41 4.850 11.592 -0.024 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.635 10.290 -2.613 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.045 10.049 -1.915 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.025 12.883 -2.022 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.653 12.137 -3.563 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.640 11.750 -1.368 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.777 13.369 -2.025 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.699 12.054 -4.371 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.906 10.828 -3.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.313 12.365 -4.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.311 12.490 -2.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.080 13.679 -3.591 1.00 0.00 H new ATOM 576 N VAL A 42 4.282 9.249 0.762 1.00 0.00 N ATOM 577 CA VAL A 42 4.112 8.044 1.556 1.00 0.00 C ATOM 578 C VAL A 42 3.257 7.042 0.777 1.00 0.00 C ATOM 579 O VAL A 42 2.268 7.420 0.150 1.00 0.00 O ATOM 580 CB VAL A 42 3.523 8.397 2.923 1.00 0.00 C ATOM 581 CG1 VAL A 42 3.101 7.136 3.680 1.00 0.00 C ATOM 582 CG2 VAL A 42 4.510 9.226 3.747 1.00 0.00 C ATOM 0 H VAL A 42 3.430 9.793 0.624 1.00 0.00 H new ATOM 0 HA VAL A 42 5.076 7.571 1.745 1.00 0.00 H new ATOM 0 HB VAL A 42 2.632 9.003 2.758 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.686 7.415 4.648 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.348 6.600 3.103 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.969 6.493 3.829 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.067 9.464 4.714 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.427 8.656 3.898 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.741 10.150 3.217 1.00 0.00 H new ATOM 592 N PHE A 43 3.668 5.784 0.843 1.00 0.00 N ATOM 593 CA PHE A 43 2.952 4.725 0.152 1.00 0.00 C ATOM 594 C PHE A 43 1.799 4.195 1.007 1.00 0.00 C ATOM 595 O PHE A 43 1.658 2.987 1.185 1.00 0.00 O ATOM 596 CB PHE A 43 3.952 3.594 -0.091 1.00 0.00 C ATOM 597 CG PHE A 43 4.884 3.832 -1.281 1.00 0.00 C ATOM 598 CD1 PHE A 43 5.577 4.998 -1.379 1.00 0.00 C ATOM 599 CD2 PHE A 43 5.018 2.878 -2.241 1.00 0.00 C ATOM 600 CE1 PHE A 43 6.442 5.219 -2.484 1.00 0.00 C ATOM 601 CE2 PHE A 43 5.883 3.100 -3.346 1.00 0.00 C ATOM 602 CZ PHE A 43 6.576 4.265 -3.444 1.00 0.00 C ATOM 0 H PHE A 43 4.488 5.474 1.365 1.00 0.00 H new ATOM 0 HA PHE A 43 2.533 5.105 -0.780 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.554 3.456 0.807 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.403 2.666 -0.252 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.470 5.756 -0.617 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.467 1.952 -2.163 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.993 6.145 -2.562 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.990 2.343 -4.108 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.233 4.433 -4.284 1.00 0.00 H new ATOM 612 N SER A 44 1.002 5.126 1.512 1.00 0.00 N ATOM 613 CA SER A 44 -0.134 4.768 2.344 1.00 0.00 C ATOM 614 C SER A 44 -1.407 5.418 1.798 1.00 0.00 C ATOM 615 O SER A 44 -1.658 6.598 2.039 1.00 0.00 O ATOM 616 CB SER A 44 0.094 5.186 3.798 1.00 0.00 C ATOM 617 OG SER A 44 -0.111 4.104 4.702 1.00 0.00 O ATOM 0 H SER A 44 1.121 6.128 1.361 1.00 0.00 H new ATOM 0 HA SER A 44 -0.248 3.684 2.320 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.109 5.566 3.911 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.582 6.003 4.051 1.00 0.00 H new ATOM 0 HG SER A 44 0.046 4.410 5.620 1.00 0.00 H new ATOM 623 N ALA A 45 -2.177 4.620 1.074 1.00 0.00 N ATOM 624 CA ALA A 45 -3.418 5.102 0.492 1.00 0.00 C ATOM 625 C ALA A 45 -4.579 4.239 0.989 1.00 0.00 C ATOM 626 O ALA A 45 -4.468 3.015 1.045 1.00 0.00 O ATOM 627 CB ALA A 45 -3.302 5.101 -1.033 1.00 0.00 C ATOM 0 H ALA A 45 -1.965 3.642 0.877 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.614 6.128 0.803 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.233 5.463 -1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.482 5.753 -1.336 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.108 4.087 -1.382 1.00 0.00 H new ATOM 633 N THR A 46 -5.667 4.910 1.337 1.00 0.00 N ATOM 634 CA THR A 46 -6.848 4.219 1.827 1.00 0.00 C ATOM 635 C THR A 46 -7.982 4.309 0.804 1.00 0.00 C ATOM 636 O THR A 46 -8.423 5.403 0.455 1.00 0.00 O ATOM 637 CB THR A 46 -7.211 4.812 3.190 1.00 0.00 C ATOM 638 OG1 THR A 46 -6.109 4.465 4.024 1.00 0.00 O ATOM 639 CG2 THR A 46 -8.404 4.106 3.837 1.00 0.00 C ATOM 0 H THR A 46 -5.756 5.925 1.289 1.00 0.00 H new ATOM 0 HA THR A 46 -6.656 3.154 1.960 1.00 0.00 H new ATOM 0 HB THR A 46 -7.435 5.873 3.076 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.261 4.812 4.928 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.619 4.566 4.802 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.276 4.197 3.189 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.168 3.052 3.982 1.00 0.00 H new ATOM 647 N LEU A 47 -8.422 3.144 0.352 1.00 0.00 N ATOM 648 CA LEU A 47 -9.496 3.078 -0.625 1.00 0.00 C ATOM 649 C LEU A 47 -10.791 2.661 0.076 1.00 0.00 C ATOM 650 O LEU A 47 -10.771 2.266 1.241 1.00 0.00 O ATOM 651 CB LEU A 47 -9.106 2.166 -1.789 1.00 0.00 C ATOM 652 CG LEU A 47 -7.751 2.452 -2.441 1.00 0.00 C ATOM 653 CD1 LEU A 47 -7.463 1.456 -3.566 1.00 0.00 C ATOM 654 CD2 LEU A 47 -7.671 3.902 -2.924 1.00 0.00 C ATOM 0 H LEU A 47 -8.055 2.238 0.644 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.672 4.060 -1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.105 1.136 -1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.878 2.238 -2.555 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.974 2.320 -1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.495 1.681 -4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.449 0.444 -3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.240 1.532 -4.327 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.699 4.079 -3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -8.457 4.085 -3.656 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.800 4.575 -2.077 1.00 0.00 H new ATOM 666 N GLY A 48 -11.885 2.762 -0.664 1.00 0.00 N ATOM 667 CA GLY A 48 -13.187 2.401 -0.128 1.00 0.00 C ATOM 668 C GLY A 48 -14.225 2.278 -1.246 1.00 0.00 C ATOM 669 O GLY A 48 -14.434 3.219 -2.010 1.00 0.00 O ATOM 0 H GLY A 48 -11.897 3.089 -1.630 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.113 1.456 0.410 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -13.510 3.154 0.591 1.00 0.00 H new ATOM 673 N LEU A 49 -14.847 1.110 -1.306 1.00 0.00 N ATOM 674 CA LEU A 49 -15.858 0.851 -2.317 1.00 0.00 C ATOM 675 C LEU A 49 -17.147 0.387 -1.636 1.00 0.00 C ATOM 676 O LEU A 49 -17.105 -0.388 -0.683 1.00 0.00 O ATOM 677 CB LEU A 49 -15.329 -0.130 -3.365 1.00 0.00 C ATOM 678 CG LEU A 49 -16.085 -0.162 -4.695 1.00 0.00 C ATOM 679 CD1 LEU A 49 -17.253 -1.148 -4.638 1.00 0.00 C ATOM 680 CD2 LEU A 49 -16.538 1.241 -5.103 1.00 0.00 C ATOM 0 H LEU A 49 -14.670 0.332 -0.671 1.00 0.00 H new ATOM 0 HA LEU A 49 -16.095 1.765 -2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -14.286 0.114 -3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.345 -1.132 -2.937 1.00 0.00 H new ATOM 0 HG LEU A 49 -15.402 -0.516 -5.467 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -17.773 -1.151 -5.596 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -16.875 -2.148 -4.427 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -17.944 -0.848 -3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -17.073 1.189 -6.051 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -17.198 1.648 -4.336 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -15.667 1.887 -5.212 1.00 0.00 H new ATOM 692 N VAL A 50 -18.262 0.882 -2.153 1.00 0.00 N ATOM 693 CA VAL A 50 -19.561 0.528 -1.607 1.00 0.00 C ATOM 694 C VAL A 50 -20.479 0.068 -2.741 1.00 0.00 C ATOM 695 O VAL A 50 -20.503 0.677 -3.810 1.00 0.00 O ATOM 696 CB VAL A 50 -20.135 1.705 -0.815 1.00 0.00 C ATOM 697 CG1 VAL A 50 -21.450 1.320 -0.136 1.00 0.00 C ATOM 698 CG2 VAL A 50 -19.121 2.224 0.208 1.00 0.00 C ATOM 0 H VAL A 50 -18.293 1.525 -2.944 1.00 0.00 H new ATOM 0 HA VAL A 50 -19.466 -0.303 -0.908 1.00 0.00 H new ATOM 0 HB VAL A 50 -20.345 2.511 -1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -21.836 2.174 0.420 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -22.176 1.021 -0.892 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -21.276 0.490 0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -19.554 3.060 0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -18.866 1.425 0.905 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -18.221 2.556 -0.309 1.00 0.00 H new ATOM 708 N ASP A 51 -21.210 -1.003 -2.471 1.00 0.00 N ATOM 709 CA ASP A 51 -22.127 -1.552 -3.456 1.00 0.00 C ATOM 710 C ASP A 51 -23.502 -0.902 -3.284 1.00 0.00 C ATOM 711 O ASP A 51 -23.940 -0.655 -2.162 1.00 0.00 O ATOM 712 CB ASP A 51 -22.291 -3.062 -3.274 1.00 0.00 C ATOM 713 CG ASP A 51 -22.151 -3.887 -4.555 1.00 0.00 C ATOM 714 OD1 ASP A 51 -22.794 -3.497 -5.553 1.00 0.00 O ATOM 715 OD2 ASP A 51 -21.405 -4.888 -4.506 1.00 0.00 O ATOM 0 H ASP A 51 -21.186 -1.506 -1.584 1.00 0.00 H new ATOM 0 HA ASP A 51 -21.719 -1.351 -4.446 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -21.550 -3.409 -2.554 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -23.272 -3.256 -2.840 1.00 0.00 H new ATOM 720 N ILE A 52 -24.144 -0.645 -4.414 1.00 0.00 N ATOM 721 CA ILE A 52 -25.460 -0.029 -4.403 1.00 0.00 C ATOM 722 C ILE A 52 -26.530 -1.122 -4.432 1.00 0.00 C ATOM 723 O ILE A 52 -27.585 -0.979 -3.817 1.00 0.00 O ATOM 724 CB ILE A 52 -25.586 0.985 -5.541 1.00 0.00 C ATOM 725 CG1 ILE A 52 -26.964 1.650 -5.533 1.00 0.00 C ATOM 726 CG2 ILE A 52 -25.271 0.337 -6.891 1.00 0.00 C ATOM 727 CD1 ILE A 52 -26.840 3.171 -5.642 1.00 0.00 C ATOM 0 H ILE A 52 -23.778 -0.852 -5.343 1.00 0.00 H new ATOM 0 HA ILE A 52 -25.608 0.538 -3.484 1.00 0.00 H new ATOM 0 HB ILE A 52 -24.848 1.771 -5.381 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -27.560 1.270 -6.363 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -27.492 1.389 -4.616 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -25.368 1.080 -7.683 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -24.252 -0.050 -6.880 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -25.968 -0.481 -7.073 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -27.834 3.619 -5.634 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -26.264 3.551 -4.798 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -26.333 3.429 -6.572 1.00 0.00 H new ATOM 739 N VAL A 53 -26.220 -2.190 -5.154 1.00 0.00 N ATOM 740 CA VAL A 53 -27.142 -3.307 -5.271 1.00 0.00 C ATOM 741 C VAL A 53 -26.983 -4.224 -4.057 1.00 0.00 C ATOM 742 O VAL A 53 -27.928 -4.421 -3.295 1.00 0.00 O ATOM 743 CB VAL A 53 -26.921 -4.031 -6.600 1.00 0.00 C ATOM 744 CG1 VAL A 53 -27.505 -5.444 -6.559 1.00 0.00 C ATOM 745 CG2 VAL A 53 -27.505 -3.230 -7.765 1.00 0.00 C ATOM 0 H VAL A 53 -25.344 -2.305 -5.663 1.00 0.00 H new ATOM 0 HA VAL A 53 -28.173 -2.952 -5.277 1.00 0.00 H new ATOM 0 HB VAL A 53 -25.846 -4.118 -6.759 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -27.334 -5.936 -7.516 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -27.022 -6.015 -5.766 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -28.576 -5.389 -6.365 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -27.334 -3.767 -8.698 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -28.576 -3.097 -7.614 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -27.021 -2.254 -7.814 1.00 0.00 H new ATOM 755 N LYS A 54 -25.780 -4.760 -3.914 1.00 0.00 N ATOM 756 CA LYS A 54 -25.484 -5.652 -2.806 1.00 0.00 C ATOM 757 C LYS A 54 -25.611 -4.882 -1.490 1.00 0.00 C ATOM 758 O LYS A 54 -25.739 -5.484 -0.425 1.00 0.00 O ATOM 759 CB LYS A 54 -24.119 -6.315 -3.001 1.00 0.00 C ATOM 760 CG LYS A 54 -24.096 -7.157 -4.278 1.00 0.00 C ATOM 761 CD LYS A 54 -24.044 -8.651 -3.950 1.00 0.00 C ATOM 762 CE LYS A 54 -25.441 -9.193 -3.640 1.00 0.00 C ATOM 763 NZ LYS A 54 -26.174 -9.484 -4.893 1.00 0.00 N ATOM 0 H LYS A 54 -24.998 -4.594 -4.548 1.00 0.00 H new ATOM 0 HA LYS A 54 -26.206 -6.468 -2.770 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -23.343 -5.551 -3.051 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -23.891 -6.945 -2.141 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -24.983 -6.943 -4.875 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -23.231 -6.884 -4.882 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -23.617 -9.197 -4.791 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -23.388 -8.817 -3.096 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -25.361 -10.099 -3.040 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -25.996 -8.466 -3.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -27.120 -9.851 -4.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -26.267 -8.612 -5.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -25.651 -10.194 -5.444 1.00 0.00 H new ATOM 777 N GLY A 55 -25.572 -3.563 -1.607 1.00 0.00 N ATOM 778 CA GLY A 55 -25.681 -2.705 -0.440 1.00 0.00 C ATOM 779 C GLY A 55 -24.590 -3.028 0.583 1.00 0.00 C ATOM 780 O GLY A 55 -24.800 -2.884 1.786 1.00 0.00 O ATOM 0 H GLY A 55 -25.466 -3.068 -2.492 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -25.602 -1.661 -0.743 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -26.662 -2.831 0.018 1.00 0.00 H new ATOM 784 N THR A 56 -23.449 -3.460 0.066 1.00 0.00 N ATOM 785 CA THR A 56 -22.325 -3.805 0.919 1.00 0.00 C ATOM 786 C THR A 56 -21.307 -2.663 0.948 1.00 0.00 C ATOM 787 O THR A 56 -21.470 -1.664 0.249 1.00 0.00 O ATOM 788 CB THR A 56 -21.741 -5.128 0.420 1.00 0.00 C ATOM 789 OG1 THR A 56 -21.693 -4.973 -0.996 1.00 0.00 O ATOM 790 CG2 THR A 56 -22.693 -6.306 0.634 1.00 0.00 C ATOM 0 H THR A 56 -23.279 -3.579 -0.933 1.00 0.00 H new ATOM 0 HA THR A 56 -22.641 -3.943 1.953 1.00 0.00 H new ATOM 0 HB THR A 56 -20.799 -5.325 0.932 1.00 0.00 H new ATOM 0 HG1 THR A 56 -21.325 -5.785 -1.402 1.00 0.00 H new ATOM 0 HG21 THR A 56 -22.230 -7.220 0.263 1.00 0.00 H new ATOM 0 HG22 THR A 56 -22.906 -6.413 1.698 1.00 0.00 H new ATOM 0 HG23 THR A 56 -23.623 -6.125 0.094 1.00 0.00 H new ATOM 798 N ASN A 57 -20.279 -2.850 1.763 1.00 0.00 N ATOM 799 CA ASN A 57 -19.234 -1.848 1.891 1.00 0.00 C ATOM 800 C ASN A 57 -17.872 -2.542 1.949 1.00 0.00 C ATOM 801 O ASN A 57 -17.670 -3.456 2.746 1.00 0.00 O ATOM 802 CB ASN A 57 -19.405 -1.036 3.177 1.00 0.00 C ATOM 803 CG ASN A 57 -20.675 -0.184 3.122 1.00 0.00 C ATOM 804 OD1 ASN A 57 -21.656 -0.526 2.481 1.00 0.00 O ATOM 805 ND2 ASN A 57 -20.603 0.940 3.828 1.00 0.00 N ATOM 0 H ASN A 57 -20.147 -3.680 2.341 1.00 0.00 H new ATOM 0 HA ASN A 57 -19.299 -1.181 1.031 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -19.451 -1.709 4.033 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -18.537 -0.393 3.324 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -21.399 1.577 3.856 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -19.751 1.166 4.342 1.00 0.00 H new ATOM 812 N SER A 58 -16.972 -2.081 1.092 1.00 0.00 N ATOM 813 CA SER A 58 -15.635 -2.647 1.035 1.00 0.00 C ATOM 814 C SER A 58 -14.593 -1.548 1.255 1.00 0.00 C ATOM 815 O SER A 58 -14.883 -0.367 1.072 1.00 0.00 O ATOM 816 CB SER A 58 -15.391 -3.350 -0.301 1.00 0.00 C ATOM 817 OG SER A 58 -14.013 -3.655 -0.500 1.00 0.00 O ATOM 0 H SER A 58 -17.143 -1.322 0.432 1.00 0.00 H new ATOM 0 HA SER A 58 -15.544 -3.390 1.827 1.00 0.00 H new ATOM 0 HB2 SER A 58 -15.975 -4.270 -0.339 1.00 0.00 H new ATOM 0 HB3 SER A 58 -15.743 -2.715 -1.114 1.00 0.00 H new ATOM 0 HG SER A 58 -13.804 -3.617 -1.457 1.00 0.00 H new ATOM 823 N TYR A 59 -13.401 -1.977 1.645 1.00 0.00 N ATOM 824 CA TYR A 59 -12.314 -1.045 1.892 1.00 0.00 C ATOM 825 C TYR A 59 -10.957 -1.712 1.665 1.00 0.00 C ATOM 826 O TYR A 59 -10.613 -2.676 2.348 1.00 0.00 O ATOM 827 CB TYR A 59 -12.431 -0.641 3.364 1.00 0.00 C ATOM 828 CG TYR A 59 -11.996 -1.733 4.344 1.00 0.00 C ATOM 829 CD1 TYR A 59 -10.677 -1.820 4.739 1.00 0.00 C ATOM 830 CD2 TYR A 59 -12.924 -2.630 4.833 1.00 0.00 C ATOM 831 CE1 TYR A 59 -10.268 -2.847 5.662 1.00 0.00 C ATOM 832 CE2 TYR A 59 -12.515 -3.657 5.756 1.00 0.00 C ATOM 833 CZ TYR A 59 -11.207 -3.715 6.125 1.00 0.00 C ATOM 834 OH TYR A 59 -10.821 -4.685 6.996 1.00 0.00 O ATOM 0 H TYR A 59 -13.165 -2.958 1.796 1.00 0.00 H new ATOM 0 HA TYR A 59 -12.380 -0.191 1.217 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.826 0.249 3.535 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -13.465 -0.369 3.575 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.951 -1.118 4.356 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -13.956 -2.562 4.524 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.239 -2.926 5.979 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -13.231 -4.365 6.146 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.597 -5.231 7.243 1.00 0.00 H new ATOM 844 N TYR A 60 -10.222 -1.174 0.702 1.00 0.00 N ATOM 845 CA TYR A 60 -8.910 -1.706 0.376 1.00 0.00 C ATOM 846 C TYR A 60 -7.804 -0.750 0.827 1.00 0.00 C ATOM 847 O TYR A 60 -7.702 0.369 0.325 1.00 0.00 O ATOM 848 CB TYR A 60 -8.872 -1.828 -1.148 1.00 0.00 C ATOM 849 CG TYR A 60 -7.652 -2.583 -1.681 1.00 0.00 C ATOM 850 CD1 TYR A 60 -6.486 -1.900 -1.960 1.00 0.00 C ATOM 851 CD2 TYR A 60 -7.719 -3.947 -1.884 1.00 0.00 C ATOM 852 CE1 TYR A 60 -5.338 -2.610 -2.462 1.00 0.00 C ATOM 853 CE2 TYR A 60 -6.571 -4.657 -2.385 1.00 0.00 C ATOM 854 CZ TYR A 60 -5.437 -3.954 -2.650 1.00 0.00 C ATOM 855 OH TYR A 60 -4.353 -4.625 -3.123 1.00 0.00 O ATOM 0 H TYR A 60 -10.511 -0.375 0.137 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.747 -2.661 0.876 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -9.776 -2.335 -1.484 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -8.887 -0.829 -1.583 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.434 -0.833 -1.802 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -8.632 -4.481 -1.667 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.419 -2.088 -2.684 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.609 -5.724 -2.547 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.535 -4.181 -2.817 1.00 0.00 H new ATOM 865 N LYS A 61 -7.002 -1.225 1.769 1.00 0.00 N ATOM 866 CA LYS A 61 -5.907 -0.427 2.293 1.00 0.00 C ATOM 867 C LYS A 61 -4.587 -0.934 1.709 1.00 0.00 C ATOM 868 O LYS A 61 -4.327 -2.137 1.706 1.00 0.00 O ATOM 869 CB LYS A 61 -5.938 -0.412 3.822 1.00 0.00 C ATOM 870 CG LYS A 61 -6.165 1.005 4.353 1.00 0.00 C ATOM 871 CD LYS A 61 -4.836 1.743 4.530 1.00 0.00 C ATOM 872 CE LYS A 61 -4.577 2.059 6.004 1.00 0.00 C ATOM 873 NZ LYS A 61 -4.227 0.827 6.745 1.00 0.00 N ATOM 0 H LYS A 61 -7.089 -2.153 2.183 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.013 0.613 1.986 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.731 -1.069 4.179 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.999 -0.804 4.212 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.803 1.558 3.664 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.690 0.960 5.307 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.022 1.134 4.137 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.850 2.668 3.953 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.768 2.784 6.090 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.463 2.516 6.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.789 0.776 7.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.430 -0.004 6.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.215 0.842 6.985 1.00 0.00 H new ATOM 887 N LEU A 62 -3.787 0.008 1.231 1.00 0.00 N ATOM 888 CA LEU A 62 -2.500 -0.329 0.646 1.00 0.00 C ATOM 889 C LEU A 62 -1.388 0.346 1.450 1.00 0.00 C ATOM 890 O LEU A 62 -1.523 1.498 1.859 1.00 0.00 O ATOM 891 CB LEU A 62 -2.481 0.019 -0.844 1.00 0.00 C ATOM 892 CG LEU A 62 -1.434 -0.708 -1.689 1.00 0.00 C ATOM 893 CD1 LEU A 62 -1.844 -2.161 -1.938 1.00 0.00 C ATOM 894 CD2 LEU A 62 -1.164 0.043 -2.994 1.00 0.00 C ATOM 0 H LEU A 62 -4.005 1.004 1.237 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.326 -1.404 0.700 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.466 -0.194 -1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.318 1.092 -0.944 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.498 -0.728 -1.130 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.083 -2.656 -2.541 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.945 -2.679 -0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.797 -2.185 -2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.416 -0.496 -3.576 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.087 0.116 -3.569 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.796 1.044 -2.768 1.00 0.00 H new ATOM 906 N GLN A 63 -0.312 -0.401 1.654 1.00 0.00 N ATOM 907 CA GLN A 63 0.824 0.111 2.402 1.00 0.00 C ATOM 908 C GLN A 63 2.096 -0.647 2.019 1.00 0.00 C ATOM 909 O GLN A 63 2.212 -1.844 2.277 1.00 0.00 O ATOM 910 CB GLN A 63 0.569 0.030 3.908 1.00 0.00 C ATOM 911 CG GLN A 63 -0.632 0.888 4.308 1.00 0.00 C ATOM 912 CD GLN A 63 -0.701 1.061 5.827 1.00 0.00 C ATOM 913 OE1 GLN A 63 -1.597 0.572 6.494 1.00 0.00 O ATOM 914 NE2 GLN A 63 0.294 1.784 6.334 1.00 0.00 N ATOM 0 H GLN A 63 -0.203 -1.357 1.314 1.00 0.00 H new ATOM 0 HA GLN A 63 0.960 1.162 2.146 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.392 -1.006 4.195 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.455 0.363 4.449 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.561 1.865 3.830 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.551 0.424 3.949 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.013 2.165 5.719 1.00 0.00 H new ATOM 0 HE22 GLN A 63 0.338 1.958 7.338 1.00 0.00 H new ATOM 923 N LEU A 64 3.020 0.082 1.410 1.00 0.00 N ATOM 924 CA LEU A 64 4.280 -0.507 0.989 1.00 0.00 C ATOM 925 C LEU A 64 5.327 -0.297 2.085 1.00 0.00 C ATOM 926 O LEU A 64 5.831 0.811 2.263 1.00 0.00 O ATOM 927 CB LEU A 64 4.699 0.044 -0.376 1.00 0.00 C ATOM 928 CG LEU A 64 6.102 -0.341 -0.852 1.00 0.00 C ATOM 929 CD1 LEU A 64 6.493 -1.729 -0.343 1.00 0.00 C ATOM 930 CD2 LEU A 64 6.211 -0.237 -2.375 1.00 0.00 C ATOM 0 H LEU A 64 2.921 1.075 1.198 1.00 0.00 H new ATOM 0 HA LEU A 64 4.172 -1.583 0.853 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.978 -0.296 -1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.634 1.132 -0.342 1.00 0.00 H new ATOM 0 HG LEU A 64 6.813 0.368 -0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.494 -1.977 -0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.481 -1.734 0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.783 -2.467 -0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.217 -0.516 -2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.488 -0.908 -2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.005 0.787 -2.685 1.00 0.00 H new ATOM 942 N LEU A 65 5.624 -1.378 2.790 1.00 0.00 N ATOM 943 CA LEU A 65 6.602 -1.326 3.864 1.00 0.00 C ATOM 944 C LEU A 65 8.004 -1.516 3.280 1.00 0.00 C ATOM 945 O LEU A 65 8.171 -2.188 2.264 1.00 0.00 O ATOM 946 CB LEU A 65 6.250 -2.336 4.958 1.00 0.00 C ATOM 947 CG LEU A 65 4.781 -2.379 5.384 1.00 0.00 C ATOM 948 CD1 LEU A 65 4.543 -3.477 6.422 1.00 0.00 C ATOM 949 CD2 LEU A 65 4.314 -1.009 5.881 1.00 0.00 C ATOM 0 H LEU A 65 5.205 -2.296 2.639 1.00 0.00 H new ATOM 0 HA LEU A 65 6.586 -0.349 4.347 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.537 -3.330 4.614 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.856 -2.116 5.837 1.00 0.00 H new ATOM 0 HG LEU A 65 4.179 -2.627 4.510 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.491 -3.486 6.708 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.812 -4.444 5.997 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.156 -3.285 7.302 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.267 -1.067 6.177 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.917 -0.708 6.737 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.425 -0.275 5.083 1.00 0.00 H new ATOM 961 N GLU A 66 8.975 -0.911 3.949 1.00 0.00 N ATOM 962 CA GLU A 66 10.357 -1.005 3.510 1.00 0.00 C ATOM 963 C GLU A 66 11.300 -0.967 4.713 1.00 0.00 C ATOM 964 O GLU A 66 11.268 -0.024 5.503 1.00 0.00 O ATOM 965 CB GLU A 66 10.692 0.108 2.515 1.00 0.00 C ATOM 966 CG GLU A 66 12.199 0.372 2.475 1.00 0.00 C ATOM 967 CD GLU A 66 12.559 1.615 3.291 1.00 0.00 C ATOM 968 OE1 GLU A 66 11.678 2.071 4.050 1.00 0.00 O ATOM 969 OE2 GLU A 66 13.709 2.081 3.136 1.00 0.00 O ATOM 0 H GLU A 66 8.832 -0.354 4.791 1.00 0.00 H new ATOM 0 HA GLU A 66 10.492 -1.958 2.998 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.341 -0.170 1.521 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.166 1.021 2.795 1.00 0.00 H new ATOM 0 HG2 GLU A 66 12.734 -0.493 2.868 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.521 0.504 1.442 1.00 0.00 H new ATOM 976 N ASP A 67 12.118 -2.004 4.816 1.00 0.00 N ATOM 977 CA ASP A 67 13.069 -2.102 5.911 1.00 0.00 C ATOM 978 C ASP A 67 14.022 -0.906 5.860 1.00 0.00 C ATOM 979 O ASP A 67 14.392 -0.447 4.780 1.00 0.00 O ATOM 980 CB ASP A 67 13.906 -3.378 5.802 1.00 0.00 C ATOM 981 CG ASP A 67 14.003 -4.199 7.089 1.00 0.00 C ATOM 982 OD1 ASP A 67 14.619 -3.682 8.046 1.00 0.00 O ATOM 983 OD2 ASP A 67 13.460 -5.325 7.086 1.00 0.00 O ATOM 0 H ASP A 67 12.142 -2.784 4.159 1.00 0.00 H new ATOM 0 HA ASP A 67 12.507 -2.118 6.845 1.00 0.00 H new ATOM 0 HB2 ASP A 67 13.482 -4.007 5.019 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.913 -3.108 5.484 1.00 0.00 H new ATOM 988 N ASP A 68 14.393 -0.435 7.042 1.00 0.00 N ATOM 989 CA ASP A 68 15.296 0.699 7.146 1.00 0.00 C ATOM 990 C ASP A 68 16.729 0.190 7.314 1.00 0.00 C ATOM 991 O ASP A 68 17.608 0.526 6.522 1.00 0.00 O ATOM 992 CB ASP A 68 14.956 1.564 8.360 1.00 0.00 C ATOM 993 CG ASP A 68 16.058 2.533 8.793 1.00 0.00 C ATOM 994 OD1 ASP A 68 16.446 3.367 7.946 1.00 0.00 O ATOM 995 OD2 ASP A 68 16.488 2.418 9.961 1.00 0.00 O ATOM 0 H ASP A 68 14.085 -0.818 7.936 1.00 0.00 H new ATOM 0 HA ASP A 68 15.195 1.295 6.239 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.056 2.137 8.138 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.719 0.909 9.199 1.00 0.00 H new ATOM 1051 N ARG A 72 14.701 -4.693 2.705 1.00 0.00 N ATOM 1052 CA ARG A 72 13.578 -5.589 2.487 1.00 0.00 C ATOM 1053 C ARG A 72 12.273 -4.795 2.406 1.00 0.00 C ATOM 1054 O ARG A 72 12.182 -3.688 2.936 1.00 0.00 O ATOM 1055 CB ARG A 72 13.470 -6.621 3.611 1.00 0.00 C ATOM 1056 CG ARG A 72 13.242 -8.025 3.046 1.00 0.00 C ATOM 1057 CD ARG A 72 13.523 -9.094 4.104 1.00 0.00 C ATOM 1058 NE ARG A 72 14.138 -10.282 3.472 1.00 0.00 N ATOM 1059 CZ ARG A 72 14.537 -11.370 4.145 1.00 0.00 C ATOM 1060 NH1 ARG A 72 14.388 -11.426 5.476 1.00 0.00 N ATOM 1061 NH2 ARG A 72 15.085 -12.401 3.489 1.00 0.00 N ATOM 0 HA ARG A 72 13.749 -6.111 1.545 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.381 -6.609 4.209 1.00 0.00 H new ATOM 0 HB3 ARG A 72 12.649 -6.355 4.276 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.214 -8.117 2.695 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.889 -8.183 2.183 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.188 -8.694 4.869 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.596 -9.376 4.603 1.00 0.00 H new ATOM 0 HE ARG A 72 14.266 -10.272 2.460 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.971 -10.641 5.976 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.691 -12.254 5.989 1.00 0.00 H new ATOM 0 HH21 ARG A 72 15.199 -12.359 2.476 1.00 0.00 H new ATOM 0 HH22 ARG A 72 15.388 -13.229 4.002 1.00 0.00 H new ATOM 1075 N TYR A 73 11.295 -5.390 1.740 1.00 0.00 N ATOM 1076 CA TYR A 73 9.999 -4.752 1.584 1.00 0.00 C ATOM 1077 C TYR A 73 8.868 -5.779 1.673 1.00 0.00 C ATOM 1078 O TYR A 73 9.101 -6.978 1.535 1.00 0.00 O ATOM 1079 CB TYR A 73 10.000 -4.132 0.185 1.00 0.00 C ATOM 1080 CG TYR A 73 11.065 -3.052 -0.016 1.00 0.00 C ATOM 1081 CD1 TYR A 73 12.401 -3.396 -0.042 1.00 0.00 C ATOM 1082 CD2 TYR A 73 10.689 -1.733 -0.170 1.00 0.00 C ATOM 1083 CE1 TYR A 73 13.403 -2.380 -0.231 1.00 0.00 C ATOM 1084 CE2 TYR A 73 11.691 -0.716 -0.359 1.00 0.00 C ATOM 1085 CZ TYR A 73 12.999 -1.090 -0.380 1.00 0.00 C ATOM 1086 OH TYR A 73 13.945 -0.129 -0.559 1.00 0.00 O ATOM 0 H TYR A 73 11.374 -6.308 1.302 1.00 0.00 H new ATOM 0 HA TYR A 73 9.838 -4.013 2.369 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.154 -4.921 -0.551 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.018 -3.701 -0.011 1.00 0.00 H new ATOM 0 HD1 TYR A 73 12.695 -4.428 0.080 1.00 0.00 H new ATOM 0 HD2 TYR A 73 9.643 -1.464 -0.149 1.00 0.00 H new ATOM 0 HE1 TYR A 73 14.452 -2.636 -0.254 1.00 0.00 H new ATOM 0 HE2 TYR A 73 11.411 0.320 -0.481 1.00 0.00 H new ATOM 0 HH TYR A 73 14.834 -0.540 -0.552 1.00 0.00 H new ATOM 1096 N TRP A 74 7.666 -5.269 1.902 1.00 0.00 N ATOM 1097 CA TRP A 74 6.498 -6.127 2.010 1.00 0.00 C ATOM 1098 C TRP A 74 5.312 -5.392 1.384 1.00 0.00 C ATOM 1099 O TRP A 74 5.239 -4.165 1.438 1.00 0.00 O ATOM 1100 CB TRP A 74 6.250 -6.533 3.464 1.00 0.00 C ATOM 1101 CG TRP A 74 7.251 -7.556 4.005 1.00 0.00 C ATOM 1102 CD1 TRP A 74 7.134 -8.891 4.031 1.00 0.00 C ATOM 1103 CD2 TRP A 74 8.535 -7.271 4.599 1.00 0.00 C ATOM 1104 NE1 TRP A 74 8.244 -9.485 4.596 1.00 0.00 N ATOM 1105 CE2 TRP A 74 9.123 -8.469 4.953 1.00 0.00 C ATOM 1106 CE3 TRP A 74 9.179 -6.043 4.830 1.00 0.00 C ATOM 1107 CZ2 TRP A 74 10.382 -8.555 5.558 1.00 0.00 C ATOM 1108 CZ3 TRP A 74 10.436 -6.146 5.436 1.00 0.00 C ATOM 1109 CH2 TRP A 74 11.042 -7.344 5.798 1.00 0.00 C ATOM 0 H TRP A 74 7.476 -4.273 2.016 1.00 0.00 H new ATOM 0 HA TRP A 74 6.653 -7.061 1.469 1.00 0.00 H new ATOM 0 HB2 TRP A 74 6.284 -5.641 4.090 1.00 0.00 H new ATOM 0 HB3 TRP A 74 5.244 -6.944 3.549 1.00 0.00 H new ATOM 0 HD1 TRP A 74 6.278 -9.434 3.657 1.00 0.00 H new ATOM 0 HE1 TRP A 74 8.392 -10.486 4.727 1.00 0.00 H new ATOM 0 HE3 TRP A 74 8.738 -5.095 4.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 10.821 -9.505 5.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 10.973 -5.231 5.637 1.00 0.00 H new ATOM 0 HH2 TRP A 74 12.017 -7.340 6.262 1.00 0.00 H new ATOM 1120 N ILE A 75 4.412 -6.172 0.804 1.00 0.00 N ATOM 1121 CA ILE A 75 3.232 -5.611 0.168 1.00 0.00 C ATOM 1122 C ILE A 75 1.995 -5.965 0.995 1.00 0.00 C ATOM 1123 O ILE A 75 1.459 -7.066 0.876 1.00 0.00 O ATOM 1124 CB ILE A 75 3.146 -6.059 -1.292 1.00 0.00 C ATOM 1125 CG1 ILE A 75 4.234 -5.393 -2.136 1.00 0.00 C ATOM 1126 CG2 ILE A 75 1.747 -5.810 -1.860 1.00 0.00 C ATOM 1127 CD1 ILE A 75 3.778 -4.020 -2.634 1.00 0.00 C ATOM 0 H ILE A 75 4.476 -7.189 0.761 1.00 0.00 H new ATOM 0 HA ILE A 75 3.295 -4.523 0.139 1.00 0.00 H new ATOM 0 HB ILE A 75 3.323 -7.134 -1.330 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.143 -5.286 -1.545 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.480 -6.029 -2.986 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.713 -6.137 -2.899 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.014 -6.369 -1.279 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.517 -4.746 -1.807 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.570 -3.568 -3.231 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.883 -4.134 -3.245 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.556 -3.379 -1.781 1.00 0.00 H new ATOM 1139 N PHE A 76 1.577 -5.012 1.815 1.00 0.00 N ATOM 1140 CA PHE A 76 0.412 -5.210 2.661 1.00 0.00 C ATOM 1141 C PHE A 76 -0.865 -4.754 1.952 1.00 0.00 C ATOM 1142 O PHE A 76 -1.002 -3.582 1.606 1.00 0.00 O ATOM 1143 CB PHE A 76 0.619 -4.356 3.913 1.00 0.00 C ATOM 1144 CG PHE A 76 -0.508 -4.476 4.941 1.00 0.00 C ATOM 1145 CD1 PHE A 76 -0.508 -5.504 5.832 1.00 0.00 C ATOM 1146 CD2 PHE A 76 -1.509 -3.556 4.965 1.00 0.00 C ATOM 1147 CE1 PHE A 76 -1.554 -5.616 6.787 1.00 0.00 C ATOM 1148 CE2 PHE A 76 -2.554 -3.668 5.919 1.00 0.00 C ATOM 1149 CZ PHE A 76 -2.555 -4.696 6.810 1.00 0.00 C ATOM 0 H PHE A 76 2.024 -4.100 1.912 1.00 0.00 H new ATOM 0 HA PHE A 76 0.303 -6.267 2.903 1.00 0.00 H new ATOM 0 HB2 PHE A 76 1.559 -4.642 4.384 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.717 -3.312 3.616 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.287 -6.235 5.813 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.509 -2.740 4.258 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.554 -6.432 7.495 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.349 -2.937 5.938 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.351 -4.781 7.535 1.00 0.00 H new ATOM 1159 N ARG A 77 -1.767 -5.705 1.756 1.00 0.00 N ATOM 1160 CA ARG A 77 -3.028 -5.415 1.095 1.00 0.00 C ATOM 1161 C ARG A 77 -4.200 -5.893 1.954 1.00 0.00 C ATOM 1162 O ARG A 77 -4.362 -7.091 2.178 1.00 0.00 O ATOM 1163 CB ARG A 77 -3.099 -6.093 -0.275 1.00 0.00 C ATOM 1164 CG ARG A 77 -1.836 -5.814 -1.091 1.00 0.00 C ATOM 1165 CD ARG A 77 -1.632 -6.881 -2.169 1.00 0.00 C ATOM 1166 NE ARG A 77 -2.941 -7.308 -2.712 1.00 0.00 N ATOM 1167 CZ ARG A 77 -3.130 -8.428 -3.423 1.00 0.00 C ATOM 1168 NH1 ARG A 77 -2.096 -9.240 -3.682 1.00 0.00 N ATOM 1169 NH2 ARG A 77 -4.353 -8.735 -3.876 1.00 0.00 N ATOM 0 H ARG A 77 -1.649 -6.677 2.043 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.091 -4.335 0.958 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.223 -7.168 -0.147 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.973 -5.734 -0.818 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.909 -4.831 -1.557 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.970 -5.790 -0.430 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.008 -6.485 -2.970 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.106 -7.738 -1.749 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.750 -6.713 -2.534 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.165 -9.006 -3.338 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.240 -10.092 -4.223 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.140 -8.116 -3.680 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.497 -9.587 -4.417 1.00 0.00 H new ATOM 1183 N SER A 78 -4.987 -4.931 2.412 1.00 0.00 N ATOM 1184 CA SER A 78 -6.139 -5.238 3.242 1.00 0.00 C ATOM 1185 C SER A 78 -7.425 -5.107 2.423 1.00 0.00 C ATOM 1186 O SER A 78 -7.498 -4.294 1.502 1.00 0.00 O ATOM 1187 CB SER A 78 -6.196 -4.324 4.467 1.00 0.00 C ATOM 1188 OG SER A 78 -7.096 -3.235 4.280 1.00 0.00 O ATOM 0 H SER A 78 -4.849 -3.938 2.224 1.00 0.00 H new ATOM 0 HA SER A 78 -6.042 -6.265 3.593 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.504 -4.903 5.337 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.199 -3.938 4.678 1.00 0.00 H new ATOM 0 HG SER A 78 -7.967 -3.459 4.670 1.00 0.00 H new ATOM 1194 N TRP A 79 -8.406 -5.919 2.786 1.00 0.00 N ATOM 1195 CA TRP A 79 -9.685 -5.904 2.096 1.00 0.00 C ATOM 1196 C TRP A 79 -10.716 -6.587 2.996 1.00 0.00 C ATOM 1197 O TRP A 79 -10.589 -7.772 3.303 1.00 0.00 O ATOM 1198 CB TRP A 79 -9.571 -6.554 0.716 1.00 0.00 C ATOM 1199 CG TRP A 79 -9.240 -8.048 0.757 1.00 0.00 C ATOM 1200 CD1 TRP A 79 -10.068 -9.069 1.012 1.00 0.00 C ATOM 1201 CD2 TRP A 79 -7.948 -8.649 0.526 1.00 0.00 C ATOM 1202 NE1 TRP A 79 -9.408 -10.280 0.961 1.00 0.00 N ATOM 1203 CE2 TRP A 79 -8.078 -10.016 0.657 1.00 0.00 C ATOM 1204 CE3 TRP A 79 -6.711 -8.056 0.217 1.00 0.00 C ATOM 1205 CZ2 TRP A 79 -7.010 -10.907 0.495 1.00 0.00 C ATOM 1206 CZ3 TRP A 79 -5.653 -8.960 0.058 1.00 0.00 C ATOM 1207 CH2 TRP A 79 -5.768 -10.339 0.186 1.00 0.00 C ATOM 0 H TRP A 79 -8.341 -6.592 3.549 1.00 0.00 H new ATOM 0 HA TRP A 79 -10.011 -4.881 1.909 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -10.511 -6.415 0.182 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.800 -6.037 0.145 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.120 -8.959 1.230 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -9.821 -11.200 1.118 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -6.587 -6.988 0.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -7.137 -11.974 0.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -4.680 -8.557 -0.181 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -4.903 -10.970 0.048 1.00 0.00 H new ATOM 1218 N GLY A 80 -11.715 -5.812 3.393 1.00 0.00 N ATOM 1219 CA GLY A 80 -12.767 -6.328 4.251 1.00 0.00 C ATOM 1220 C GLY A 80 -14.032 -5.475 4.141 1.00 0.00 C ATOM 1221 O GLY A 80 -14.122 -4.599 3.282 1.00 0.00 O ATOM 0 H GLY A 80 -11.818 -4.830 3.136 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.994 -7.358 3.975 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.423 -6.343 5.285 1.00 0.00 H new ATOM 1225 N ARG A 81 -14.978 -5.760 5.024 1.00 0.00 N ATOM 1226 CA ARG A 81 -16.234 -5.029 5.037 1.00 0.00 C ATOM 1227 C ARG A 81 -16.193 -3.922 6.093 1.00 0.00 C ATOM 1228 O ARG A 81 -15.626 -4.106 7.169 1.00 0.00 O ATOM 1229 CB ARG A 81 -17.411 -5.961 5.332 1.00 0.00 C ATOM 1230 CG ARG A 81 -18.700 -5.166 5.547 1.00 0.00 C ATOM 1231 CD ARG A 81 -19.919 -5.960 5.073 1.00 0.00 C ATOM 1232 NE ARG A 81 -21.117 -5.554 5.842 1.00 0.00 N ATOM 1233 CZ ARG A 81 -22.364 -5.951 5.554 1.00 0.00 C ATOM 1234 NH1 ARG A 81 -22.585 -6.766 4.513 1.00 0.00 N ATOM 1235 NH2 ARG A 81 -23.391 -5.533 6.306 1.00 0.00 N ATOM 0 H ARG A 81 -14.900 -6.487 5.735 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.372 -4.589 4.049 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -17.543 -6.658 4.505 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -17.195 -6.556 6.219 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -18.809 -4.922 6.604 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -18.644 -4.222 5.006 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -20.084 -5.789 4.009 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -19.740 -7.028 5.200 1.00 0.00 H new ATOM 0 HE ARG A 81 -20.985 -4.933 6.641 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -21.804 -7.084 3.940 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -23.534 -7.068 4.294 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -23.224 -4.912 7.098 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -24.340 -5.835 6.086 1.00 0.00 H new ATOM 1328 N SER A 88 -9.835 -9.271 5.841 1.00 0.00 N ATOM 1329 CA SER A 88 -8.898 -10.104 5.107 1.00 0.00 C ATOM 1330 C SER A 88 -7.695 -9.271 4.660 1.00 0.00 C ATOM 1331 O SER A 88 -7.858 -8.230 4.024 1.00 0.00 O ATOM 1332 CB SER A 88 -9.571 -10.756 3.897 1.00 0.00 C ATOM 1333 OG SER A 88 -10.704 -11.534 4.272 1.00 0.00 O ATOM 0 HA SER A 88 -8.555 -10.898 5.770 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.879 -9.983 3.193 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.851 -11.390 3.379 1.00 0.00 H new ATOM 0 HG SER A 88 -11.060 -11.204 5.123 1.00 0.00 H new ATOM 1339 N ASN A 89 -6.514 -9.759 5.011 1.00 0.00 N ATOM 1340 CA ASN A 89 -5.285 -9.072 4.654 1.00 0.00 C ATOM 1341 C ASN A 89 -4.318 -10.067 4.009 1.00 0.00 C ATOM 1342 O ASN A 89 -4.581 -11.268 3.989 1.00 0.00 O ATOM 1343 CB ASN A 89 -4.603 -8.484 5.891 1.00 0.00 C ATOM 1344 CG ASN A 89 -4.499 -9.527 7.007 1.00 0.00 C ATOM 1345 OD1 ASN A 89 -5.456 -9.828 7.701 1.00 0.00 O ATOM 1346 ND2 ASN A 89 -3.287 -10.058 7.139 1.00 0.00 N ATOM 0 H ASN A 89 -6.383 -10.622 5.539 1.00 0.00 H new ATOM 0 HA ASN A 89 -5.537 -8.267 3.964 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -3.607 -8.128 5.627 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -5.166 -7.621 6.246 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -3.114 -10.763 7.855 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -2.530 -9.760 6.524 1.00 0.00 H new ATOM 1353 N LYS A 90 -3.220 -9.530 3.498 1.00 0.00 N ATOM 1354 CA LYS A 90 -2.213 -10.356 2.854 1.00 0.00 C ATOM 1355 C LYS A 90 -0.842 -9.697 3.012 1.00 0.00 C ATOM 1356 O LYS A 90 -0.722 -8.476 2.924 1.00 0.00 O ATOM 1357 CB LYS A 90 -2.598 -10.633 1.399 1.00 0.00 C ATOM 1358 CG LYS A 90 -1.356 -10.897 0.544 1.00 0.00 C ATOM 1359 CD LYS A 90 -1.650 -11.930 -0.545 1.00 0.00 C ATOM 1360 CE LYS A 90 -1.205 -13.328 -0.110 1.00 0.00 C ATOM 1361 NZ LYS A 90 -1.621 -14.338 -1.108 1.00 0.00 N ATOM 0 H LYS A 90 -3.006 -8.533 3.517 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.156 -11.332 3.336 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.265 -11.494 1.353 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.147 -9.782 0.996 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.021 -9.966 0.086 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.543 -11.252 1.177 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.717 -11.937 -0.766 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.136 -11.651 -1.465 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.122 -13.351 0.009 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.638 -13.568 0.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.311 -15.281 -0.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.657 -14.327 -1.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.188 -14.117 -2.027 1.00 0.00 H new ATOM 1375 N LEU A 91 0.159 -10.535 3.243 1.00 0.00 N ATOM 1376 CA LEU A 91 1.517 -10.049 3.415 1.00 0.00 C ATOM 1377 C LEU A 91 2.469 -10.899 2.571 1.00 0.00 C ATOM 1378 O LEU A 91 2.451 -12.126 2.655 1.00 0.00 O ATOM 1379 CB LEU A 91 1.886 -10.002 4.899 1.00 0.00 C ATOM 1380 CG LEU A 91 3.165 -9.238 5.249 1.00 0.00 C ATOM 1381 CD1 LEU A 91 2.980 -7.734 5.039 1.00 0.00 C ATOM 1382 CD2 LEU A 91 3.628 -9.566 6.669 1.00 0.00 C ATOM 0 H LEU A 91 0.056 -11.547 3.315 1.00 0.00 H new ATOM 0 HA LEU A 91 1.602 -9.023 3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.057 -9.552 5.445 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.987 -11.025 5.260 1.00 0.00 H new ATOM 0 HG LEU A 91 3.954 -9.563 4.570 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.903 -7.215 5.295 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.732 -7.540 3.995 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.173 -7.374 5.677 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.539 -9.010 6.892 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.849 -9.287 7.379 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.827 -10.635 6.749 1.00 0.00 H new ATOM 1394 N GLU A 92 3.278 -10.214 1.777 1.00 0.00 N ATOM 1395 CA GLU A 92 4.235 -10.891 0.919 1.00 0.00 C ATOM 1396 C GLU A 92 5.557 -10.121 0.887 1.00 0.00 C ATOM 1397 O GLU A 92 5.563 -8.892 0.846 1.00 0.00 O ATOM 1398 CB GLU A 92 3.673 -11.074 -0.492 1.00 0.00 C ATOM 1399 CG GLU A 92 2.666 -12.225 -0.537 1.00 0.00 C ATOM 1400 CD GLU A 92 3.019 -13.220 -1.644 1.00 0.00 C ATOM 1401 OE1 GLU A 92 4.010 -13.956 -1.451 1.00 0.00 O ATOM 1402 OE2 GLU A 92 2.289 -13.221 -2.659 1.00 0.00 O ATOM 0 H GLU A 92 3.290 -9.196 1.710 1.00 0.00 H new ATOM 0 HA GLU A 92 4.424 -11.882 1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.191 -10.152 -0.818 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.488 -11.271 -1.189 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.650 -12.737 0.425 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.664 -11.830 -0.704 1.00 0.00 H new ATOM 1409 N GLN A 93 6.645 -10.876 0.907 1.00 0.00 N ATOM 1410 CA GLN A 93 7.970 -10.280 0.880 1.00 0.00 C ATOM 1411 C GLN A 93 8.413 -10.033 -0.563 1.00 0.00 C ATOM 1412 O GLN A 93 8.342 -10.932 -1.401 1.00 0.00 O ATOM 1413 CB GLN A 93 8.981 -11.159 1.621 1.00 0.00 C ATOM 1414 CG GLN A 93 10.358 -10.493 1.663 1.00 0.00 C ATOM 1415 CD GLN A 93 11.460 -11.489 1.297 1.00 0.00 C ATOM 1416 OE1 GLN A 93 11.940 -12.253 2.118 1.00 0.00 O ATOM 1417 NE2 GLN A 93 11.834 -11.438 0.021 1.00 0.00 N ATOM 0 H GLN A 93 6.636 -11.895 0.942 1.00 0.00 H new ATOM 0 HA GLN A 93 7.925 -9.320 1.394 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.632 -11.345 2.637 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.056 -12.128 1.128 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.380 -9.651 0.971 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.542 -10.092 2.660 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.391 -10.774 -0.614 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.564 -12.063 -0.322 1.00 0.00 H new ATOM 1426 N MET A 94 8.859 -8.810 -0.811 1.00 0.00 N ATOM 1427 CA MET A 94 9.313 -8.434 -2.138 1.00 0.00 C ATOM 1428 C MET A 94 10.811 -8.696 -2.301 1.00 0.00 C ATOM 1429 O MET A 94 11.564 -8.642 -1.329 1.00 0.00 O ATOM 1430 CB MET A 94 9.026 -6.949 -2.374 1.00 0.00 C ATOM 1431 CG MET A 94 7.575 -6.735 -2.811 1.00 0.00 C ATOM 1432 SD MET A 94 7.419 -7.015 -4.567 1.00 0.00 S ATOM 1433 CE MET A 94 6.068 -8.183 -4.575 1.00 0.00 C ATOM 0 H MET A 94 8.915 -8.067 -0.115 1.00 0.00 H new ATOM 0 HA MET A 94 8.776 -9.038 -2.869 1.00 0.00 H new ATOM 0 HB2 MET A 94 9.221 -6.387 -1.461 1.00 0.00 H new ATOM 0 HB3 MET A 94 9.701 -6.561 -3.137 1.00 0.00 H new ATOM 0 HG2 MET A 94 6.919 -7.414 -2.266 1.00 0.00 H new ATOM 0 HG3 MET A 94 7.259 -5.721 -2.567 1.00 0.00 H new ATOM 0 HE1 MET A 94 5.529 -8.109 -5.519 1.00 0.00 H new ATOM 0 HE2 MET A 94 6.460 -9.193 -4.459 1.00 0.00 H new ATOM 0 HE3 MET A 94 5.389 -7.960 -3.752 1.00 0.00 H new ATOM 1443 N PRO A 95 11.211 -8.982 -3.569 1.00 0.00 N ATOM 1444 CA PRO A 95 12.606 -9.253 -3.871 1.00 0.00 C ATOM 1445 C PRO A 95 13.429 -7.962 -3.866 1.00 0.00 C ATOM 1446 O PRO A 95 14.422 -7.858 -3.148 1.00 0.00 O ATOM 1447 CB PRO A 95 12.589 -9.940 -5.226 1.00 0.00 C ATOM 1448 CG PRO A 95 11.238 -9.614 -5.842 1.00 0.00 C ATOM 1449 CD PRO A 95 10.348 -9.055 -4.744 1.00 0.00 C ATOM 0 HA PRO A 95 13.082 -9.887 -3.123 1.00 0.00 H new ATOM 0 HB2 PRO A 95 13.402 -9.581 -5.856 1.00 0.00 H new ATOM 0 HB3 PRO A 95 12.720 -11.017 -5.120 1.00 0.00 H new ATOM 0 HG2 PRO A 95 11.351 -8.889 -6.648 1.00 0.00 H new ATOM 0 HG3 PRO A 95 10.791 -10.508 -6.278 1.00 0.00 H new ATOM 0 HD2 PRO A 95 9.959 -8.072 -5.011 1.00 0.00 H new ATOM 0 HD3 PRO A 95 9.488 -9.700 -4.564 1.00 0.00 H new ATOM 1457 N SER A 96 12.984 -7.012 -4.675 1.00 0.00 N ATOM 1458 CA SER A 96 13.666 -5.733 -4.772 1.00 0.00 C ATOM 1459 C SER A 96 12.715 -4.601 -4.379 1.00 0.00 C ATOM 1460 O SER A 96 11.507 -4.807 -4.278 1.00 0.00 O ATOM 1461 CB SER A 96 14.209 -5.504 -6.185 1.00 0.00 C ATOM 1462 OG SER A 96 15.534 -4.981 -6.170 1.00 0.00 O ATOM 0 H SER A 96 12.160 -7.102 -5.269 1.00 0.00 H new ATOM 0 HA SER A 96 14.511 -5.743 -4.084 1.00 0.00 H new ATOM 0 HB2 SER A 96 14.197 -6.445 -6.735 1.00 0.00 H new ATOM 0 HB3 SER A 96 13.554 -4.815 -6.718 1.00 0.00 H new ATOM 0 HG SER A 96 15.845 -4.851 -7.090 1.00 0.00 H new ATOM 1468 N LYS A 97 13.297 -3.429 -4.168 1.00 0.00 N ATOM 1469 CA LYS A 97 12.516 -2.264 -3.788 1.00 0.00 C ATOM 1470 C LYS A 97 11.507 -1.949 -4.894 1.00 0.00 C ATOM 1471 O LYS A 97 10.348 -1.645 -4.614 1.00 0.00 O ATOM 1472 CB LYS A 97 13.436 -1.092 -3.442 1.00 0.00 C ATOM 1473 CG LYS A 97 12.634 0.197 -3.250 1.00 0.00 C ATOM 1474 CD LYS A 97 13.292 1.368 -3.982 1.00 0.00 C ATOM 1475 CE LYS A 97 14.114 2.226 -3.018 1.00 0.00 C ATOM 1476 NZ LYS A 97 15.550 1.883 -3.115 1.00 0.00 N ATOM 0 H LYS A 97 14.300 -3.262 -4.253 1.00 0.00 H new ATOM 0 HA LYS A 97 11.944 -2.467 -2.883 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.992 -1.318 -2.532 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.169 -0.953 -4.237 1.00 0.00 H new ATOM 0 HG2 LYS A 97 11.619 0.056 -3.621 1.00 0.00 H new ATOM 0 HG3 LYS A 97 12.556 0.426 -2.187 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.935 0.989 -4.776 1.00 0.00 H new ATOM 0 HD3 LYS A 97 12.526 1.981 -4.457 1.00 0.00 H new ATOM 0 HE2 LYS A 97 13.970 3.282 -3.248 1.00 0.00 H new ATOM 0 HE3 LYS A 97 13.765 2.072 -1.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.094 2.474 -2.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.685 0.880 -2.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.883 2.053 -4.086 1.00 0.00 H new ATOM 1490 N GLU A 98 11.984 -2.032 -6.127 1.00 0.00 N ATOM 1491 CA GLU A 98 11.139 -1.759 -7.277 1.00 0.00 C ATOM 1492 C GLU A 98 9.955 -2.728 -7.307 1.00 0.00 C ATOM 1493 O GLU A 98 8.801 -2.306 -7.274 1.00 0.00 O ATOM 1494 CB GLU A 98 11.941 -1.832 -8.578 1.00 0.00 C ATOM 1495 CG GLU A 98 12.895 -0.643 -8.701 1.00 0.00 C ATOM 1496 CD GLU A 98 12.682 0.096 -10.024 1.00 0.00 C ATOM 1497 OE1 GLU A 98 11.503 0.231 -10.415 1.00 0.00 O ATOM 1498 OE2 GLU A 98 13.704 0.509 -10.614 1.00 0.00 O ATOM 0 H GLU A 98 12.946 -2.285 -6.355 1.00 0.00 H new ATOM 0 HA GLU A 98 10.751 -0.744 -7.185 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.508 -2.762 -8.608 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.260 -1.846 -9.429 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.737 0.042 -7.868 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.926 -0.991 -8.637 1.00 0.00 H new ATOM 1505 N ASP A 99 10.283 -4.011 -7.371 1.00 0.00 N ATOM 1506 CA ASP A 99 9.262 -5.044 -7.406 1.00 0.00 C ATOM 1507 C ASP A 99 8.180 -4.720 -6.374 1.00 0.00 C ATOM 1508 O ASP A 99 7.021 -5.096 -6.546 1.00 0.00 O ATOM 1509 CB ASP A 99 9.851 -6.413 -7.061 1.00 0.00 C ATOM 1510 CG ASP A 99 10.831 -6.974 -8.093 1.00 0.00 C ATOM 1511 OD1 ASP A 99 11.822 -6.268 -8.378 1.00 0.00 O ATOM 1512 OD2 ASP A 99 10.567 -8.097 -8.574 1.00 0.00 O ATOM 0 H ASP A 99 11.242 -4.358 -7.400 1.00 0.00 H new ATOM 0 HA ASP A 99 8.847 -5.074 -8.413 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.360 -6.341 -6.100 1.00 0.00 H new ATOM 0 HB3 ASP A 99 9.033 -7.123 -6.936 1.00 0.00 H new ATOM 1517 N ALA A 100 8.596 -4.027 -5.324 1.00 0.00 N ATOM 1518 CA ALA A 100 7.677 -3.649 -4.264 1.00 0.00 C ATOM 1519 C ALA A 100 6.844 -2.451 -4.721 1.00 0.00 C ATOM 1520 O ALA A 100 5.621 -2.455 -4.592 1.00 0.00 O ATOM 1521 CB ALA A 100 8.465 -3.358 -2.985 1.00 0.00 C ATOM 0 H ALA A 100 9.558 -3.717 -5.185 1.00 0.00 H new ATOM 0 HA ALA A 100 6.988 -4.465 -4.044 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.776 -3.074 -2.190 1.00 0.00 H new ATOM 0 HB2 ALA A 100 9.016 -4.250 -2.687 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.165 -2.542 -3.167 1.00 0.00 H new ATOM 1527 N ILE A 101 7.539 -1.453 -5.247 1.00 0.00 N ATOM 1528 CA ILE A 101 6.879 -0.250 -5.724 1.00 0.00 C ATOM 1529 C ILE A 101 5.889 -0.621 -6.830 1.00 0.00 C ATOM 1530 O ILE A 101 4.786 -0.080 -6.888 1.00 0.00 O ATOM 1531 CB ILE A 101 7.911 0.796 -6.148 1.00 0.00 C ATOM 1532 CG1 ILE A 101 8.591 1.422 -4.929 1.00 0.00 C ATOM 1533 CG2 ILE A 101 7.280 1.853 -7.057 1.00 0.00 C ATOM 1534 CD1 ILE A 101 10.113 1.425 -5.091 1.00 0.00 C ATOM 0 H ILE A 101 8.553 -1.453 -5.353 1.00 0.00 H new ATOM 0 HA ILE A 101 6.303 0.212 -4.922 1.00 0.00 H new ATOM 0 HB ILE A 101 8.686 0.294 -6.727 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.234 2.443 -4.793 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.318 0.867 -4.031 1.00 0.00 H new ATOM 0 HG21 ILE A 101 8.036 2.584 -7.344 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.882 1.373 -7.951 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.472 2.355 -6.525 1.00 0.00 H new ATOM 0 HD11 ILE A 101 10.572 1.875 -4.211 1.00 0.00 H new ATOM 0 HD12 ILE A 101 10.469 0.401 -5.202 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.384 2.001 -5.976 1.00 0.00 H new ATOM 1546 N GLU A 102 6.319 -1.542 -7.680 1.00 0.00 N ATOM 1547 CA GLU A 102 5.484 -1.992 -8.781 1.00 0.00 C ATOM 1548 C GLU A 102 4.265 -2.746 -8.249 1.00 0.00 C ATOM 1549 O GLU A 102 3.159 -2.588 -8.764 1.00 0.00 O ATOM 1550 CB GLU A 102 6.283 -2.859 -9.756 1.00 0.00 C ATOM 1551 CG GLU A 102 7.622 -2.204 -10.102 1.00 0.00 C ATOM 1552 CD GLU A 102 8.024 -2.508 -11.547 1.00 0.00 C ATOM 1553 OE1 GLU A 102 7.181 -2.256 -12.435 1.00 0.00 O ATOM 1554 OE2 GLU A 102 9.164 -2.985 -11.730 1.00 0.00 O ATOM 0 H GLU A 102 7.234 -1.989 -7.629 1.00 0.00 H new ATOM 0 HA GLU A 102 5.134 -1.116 -9.328 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.457 -3.841 -9.316 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.705 -3.016 -10.667 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.551 -1.126 -9.960 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.394 -2.565 -9.422 1.00 0.00 H new ATOM 1561 N HIS A 103 4.507 -3.551 -7.224 1.00 0.00 N ATOM 1562 CA HIS A 103 3.442 -4.330 -6.616 1.00 0.00 C ATOM 1563 C HIS A 103 2.559 -3.416 -5.765 1.00 0.00 C ATOM 1564 O HIS A 103 1.569 -3.865 -5.188 1.00 0.00 O ATOM 1565 CB HIS A 103 4.015 -5.507 -5.824 1.00 0.00 C ATOM 1566 CG HIS A 103 3.061 -6.668 -5.672 1.00 0.00 C ATOM 1567 ND1 HIS A 103 2.604 -7.306 -4.557 1.00 0.00 N flip ATOM 1568 CD2 HIS A 103 2.468 -7.297 -6.753 1.00 0.00 C flip ATOM 1569 CE1 HIS A 103 1.776 -8.272 -4.935 1.00 0.00 C flip ATOM 1570 NE2 HIS A 103 1.690 -8.268 -6.296 1.00 0.00 N flip ATOM 0 H HIS A 103 5.425 -3.680 -6.800 1.00 0.00 H new ATOM 0 HA HIS A 103 2.813 -4.763 -7.394 1.00 0.00 H new ATOM 0 HB2 HIS A 103 4.921 -5.857 -6.318 1.00 0.00 H new ATOM 0 HB3 HIS A 103 4.307 -5.158 -4.834 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.614 -7.040 -7.792 1.00 0.00 H new ATOM 0 HE1 HIS A 103 1.256 -8.949 -4.274 1.00 0.00 H new ATOM 0 HE2 HIS A 103 1.126 -8.901 -6.863 1.00 0.00 H new ATOM 1578 N PHE A 104 2.948 -2.151 -5.713 1.00 0.00 N ATOM 1579 CA PHE A 104 2.204 -1.170 -4.942 1.00 0.00 C ATOM 1580 C PHE A 104 1.512 -0.161 -5.861 1.00 0.00 C ATOM 1581 O PHE A 104 0.444 0.354 -5.531 1.00 0.00 O ATOM 1582 CB PHE A 104 3.215 -0.431 -4.063 1.00 0.00 C ATOM 1583 CG PHE A 104 2.647 0.807 -3.368 1.00 0.00 C ATOM 1584 CD1 PHE A 104 2.007 0.684 -2.174 1.00 0.00 C ATOM 1585 CD2 PHE A 104 2.783 2.032 -3.943 1.00 0.00 C ATOM 1586 CE1 PHE A 104 1.479 1.833 -1.529 1.00 0.00 C ATOM 1587 CE2 PHE A 104 2.256 3.182 -3.297 1.00 0.00 C ATOM 1588 CZ PHE A 104 1.615 3.058 -2.104 1.00 0.00 C ATOM 0 H PHE A 104 3.769 -1.782 -6.193 1.00 0.00 H new ATOM 0 HA PHE A 104 1.436 -1.667 -4.349 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.594 -1.118 -3.306 1.00 0.00 H new ATOM 0 HB3 PHE A 104 4.065 -0.133 -4.677 1.00 0.00 H new ATOM 0 HD1 PHE A 104 1.901 -0.288 -1.716 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.292 2.130 -4.891 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.969 1.734 -0.582 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.364 4.155 -3.753 1.00 0.00 H new ATOM 0 HZ PHE A 104 1.214 3.932 -1.613 1.00 0.00 H new ATOM 1598 N MET A 105 2.148 0.091 -6.996 1.00 0.00 N ATOM 1599 CA MET A 105 1.606 1.029 -7.964 1.00 0.00 C ATOM 1600 C MET A 105 0.546 0.361 -8.842 1.00 0.00 C ATOM 1601 O MET A 105 -0.429 0.998 -9.237 1.00 0.00 O ATOM 1602 CB MET A 105 2.737 1.562 -8.846 1.00 0.00 C ATOM 1603 CG MET A 105 3.424 2.762 -8.191 1.00 0.00 C ATOM 1604 SD MET A 105 3.741 4.026 -9.412 1.00 0.00 S ATOM 1605 CE MET A 105 4.550 3.048 -10.667 1.00 0.00 C ATOM 0 H MET A 105 3.033 -0.338 -7.267 1.00 0.00 H new ATOM 0 HA MET A 105 1.137 1.850 -7.422 1.00 0.00 H new ATOM 0 HB2 MET A 105 3.467 0.773 -9.024 1.00 0.00 H new ATOM 0 HB3 MET A 105 2.339 1.852 -9.818 1.00 0.00 H new ATOM 0 HG2 MET A 105 2.795 3.162 -7.396 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.360 2.448 -7.729 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.246 3.675 -11.224 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.095 2.230 -10.196 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.803 2.641 -11.349 1.00 0.00 H new ATOM 1615 N LYS A 106 0.773 -0.915 -9.120 1.00 0.00 N ATOM 1616 CA LYS A 106 -0.151 -1.676 -9.944 1.00 0.00 C ATOM 1617 C LYS A 106 -1.355 -2.094 -9.098 1.00 0.00 C ATOM 1618 O LYS A 106 -2.500 -1.934 -9.519 1.00 0.00 O ATOM 1619 CB LYS A 106 0.569 -2.850 -10.611 1.00 0.00 C ATOM 1620 CG LYS A 106 -0.366 -4.051 -10.766 1.00 0.00 C ATOM 1621 CD LYS A 106 0.379 -5.256 -11.341 1.00 0.00 C ATOM 1622 CE LYS A 106 -0.002 -5.489 -12.804 1.00 0.00 C ATOM 1623 NZ LYS A 106 -0.970 -6.603 -12.917 1.00 0.00 N ATOM 0 H LYS A 106 1.582 -1.440 -8.790 1.00 0.00 H new ATOM 0 HA LYS A 106 -0.531 -1.060 -10.759 1.00 0.00 H new ATOM 0 HB2 LYS A 106 0.940 -2.545 -11.589 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.437 -3.135 -10.016 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -0.793 -4.311 -9.797 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -1.197 -3.787 -11.420 1.00 0.00 H new ATOM 0 HD2 LYS A 106 1.454 -5.095 -11.263 1.00 0.00 H new ATOM 0 HD3 LYS A 106 0.147 -6.145 -10.755 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -0.434 -4.580 -13.222 1.00 0.00 H new ATOM 0 HE3 LYS A 106 0.891 -5.715 -13.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -1.218 -6.748 -13.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -0.545 -7.472 -12.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -1.829 -6.373 -12.377 1.00 0.00 H new ATOM 1637 N LEU A 107 -1.057 -2.623 -7.920 1.00 0.00 N ATOM 1638 CA LEU A 107 -2.101 -3.065 -7.012 1.00 0.00 C ATOM 1639 C LEU A 107 -3.157 -1.965 -6.881 1.00 0.00 C ATOM 1640 O LEU A 107 -4.325 -2.180 -7.202 1.00 0.00 O ATOM 1641 CB LEU A 107 -1.498 -3.501 -5.675 1.00 0.00 C ATOM 1642 CG LEU A 107 -1.053 -4.962 -5.584 1.00 0.00 C ATOM 1643 CD1 LEU A 107 -2.255 -5.906 -5.638 1.00 0.00 C ATOM 1644 CD2 LEU A 107 -0.019 -5.287 -6.664 1.00 0.00 C ATOM 0 H LEU A 107 -0.107 -2.755 -7.574 1.00 0.00 H new ATOM 0 HA LEU A 107 -2.605 -3.945 -7.411 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -0.638 -2.866 -5.463 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.232 -3.316 -4.891 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.570 -5.113 -4.619 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.910 -6.938 -5.571 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.923 -5.692 -4.804 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.789 -5.762 -6.577 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.281 -6.331 -6.578 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.454 -5.115 -7.648 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.854 -4.647 -6.536 1.00 0.00 H new ATOM 1656 N TYR A 108 -2.708 -0.811 -6.411 1.00 0.00 N ATOM 1657 CA TYR A 108 -3.600 0.323 -6.234 1.00 0.00 C ATOM 1658 C TYR A 108 -4.233 0.734 -7.565 1.00 0.00 C ATOM 1659 O TYR A 108 -5.184 1.514 -7.588 1.00 0.00 O ATOM 1660 CB TYR A 108 -2.727 1.470 -5.722 1.00 0.00 C ATOM 1661 CG TYR A 108 -3.488 2.778 -5.497 1.00 0.00 C ATOM 1662 CD1 TYR A 108 -3.894 3.535 -6.577 1.00 0.00 C ATOM 1663 CD2 TYR A 108 -3.768 3.201 -4.213 1.00 0.00 C ATOM 1664 CE1 TYR A 108 -4.610 4.766 -6.365 1.00 0.00 C ATOM 1665 CE2 TYR A 108 -4.484 4.432 -4.001 1.00 0.00 C ATOM 1666 CZ TYR A 108 -4.870 5.154 -5.087 1.00 0.00 C ATOM 1667 OH TYR A 108 -5.546 6.317 -4.887 1.00 0.00 O ATOM 0 H TYR A 108 -1.738 -0.636 -6.147 1.00 0.00 H new ATOM 0 HA TYR A 108 -4.407 0.073 -5.546 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -2.260 1.167 -4.785 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.923 1.648 -6.436 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.675 3.204 -7.581 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -3.450 2.609 -3.368 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -4.933 5.368 -7.201 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -4.710 4.774 -3.002 1.00 0.00 H new ATOM 0 HH TYR A 108 -5.661 6.467 -3.925 1.00 0.00 H new ATOM 1677 N GLU A 109 -3.681 0.191 -8.640 1.00 0.00 N ATOM 1678 CA GLU A 109 -4.180 0.492 -9.970 1.00 0.00 C ATOM 1679 C GLU A 109 -5.188 -0.570 -10.412 1.00 0.00 C ATOM 1680 O GLU A 109 -5.991 -0.333 -11.313 1.00 0.00 O ATOM 1681 CB GLU A 109 -3.031 0.609 -10.974 1.00 0.00 C ATOM 1682 CG GLU A 109 -3.559 0.655 -12.409 1.00 0.00 C ATOM 1683 CD GLU A 109 -2.412 0.801 -13.411 1.00 0.00 C ATOM 1684 OE1 GLU A 109 -1.838 -0.249 -13.773 1.00 0.00 O ATOM 1685 OE2 GLU A 109 -2.135 1.959 -13.792 1.00 0.00 O ATOM 0 H GLU A 109 -2.893 -0.456 -8.617 1.00 0.00 H new ATOM 0 HA GLU A 109 -4.688 1.456 -9.936 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.452 1.509 -10.767 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.355 -0.238 -10.859 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -4.120 -0.255 -12.623 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -4.251 1.490 -12.519 1.00 0.00 H new ATOM 1692 N GLU A 110 -5.113 -1.720 -9.757 1.00 0.00 N ATOM 1693 CA GLU A 110 -6.009 -2.820 -10.071 1.00 0.00 C ATOM 1694 C GLU A 110 -7.350 -2.632 -9.358 1.00 0.00 C ATOM 1695 O GLU A 110 -8.387 -3.073 -9.853 1.00 0.00 O ATOM 1696 CB GLU A 110 -5.377 -4.164 -9.704 1.00 0.00 C ATOM 1697 CG GLU A 110 -5.841 -4.630 -8.323 1.00 0.00 C ATOM 1698 CD GLU A 110 -5.277 -6.013 -7.993 1.00 0.00 C ATOM 1699 OE1 GLU A 110 -5.077 -6.788 -8.953 1.00 0.00 O ATOM 1700 OE2 GLU A 110 -5.058 -6.264 -6.788 1.00 0.00 O ATOM 0 H GLU A 110 -4.446 -1.913 -9.010 1.00 0.00 H new ATOM 0 HA GLU A 110 -6.188 -2.822 -11.146 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.643 -4.911 -10.452 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.291 -4.074 -9.715 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.521 -3.913 -7.567 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -6.930 -4.661 -8.293 1.00 0.00 H new ATOM 1707 N LYS A 111 -7.286 -1.978 -8.208 1.00 0.00 N ATOM 1708 CA LYS A 111 -8.482 -1.727 -7.422 1.00 0.00 C ATOM 1709 C LYS A 111 -9.171 -0.463 -7.940 1.00 0.00 C ATOM 1710 O LYS A 111 -10.284 -0.527 -8.460 1.00 0.00 O ATOM 1711 CB LYS A 111 -8.143 -1.676 -5.931 1.00 0.00 C ATOM 1712 CG LYS A 111 -7.580 -3.015 -5.451 1.00 0.00 C ATOM 1713 CD LYS A 111 -8.635 -4.119 -5.545 1.00 0.00 C ATOM 1714 CE LYS A 111 -8.114 -5.427 -4.946 1.00 0.00 C ATOM 1715 NZ LYS A 111 -8.981 -5.868 -3.830 1.00 0.00 N ATOM 0 H LYS A 111 -6.424 -1.614 -7.801 1.00 0.00 H new ATOM 0 HA LYS A 111 -9.191 -2.547 -7.535 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -7.416 -0.885 -5.746 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -9.037 -1.427 -5.359 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -6.712 -3.285 -6.052 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -7.238 -2.921 -4.420 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -9.539 -3.809 -5.020 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -8.910 -4.276 -6.588 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -8.081 -6.198 -5.715 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -7.093 -5.289 -4.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -9.143 -6.893 -3.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -8.518 -5.652 -2.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -9.892 -5.369 -3.880 1.00 0.00 H new ATOM 1729 N THR A 112 -8.481 0.657 -7.780 1.00 0.00 N ATOM 1730 CA THR A 112 -9.012 1.934 -8.224 1.00 0.00 C ATOM 1731 C THR A 112 -9.232 1.922 -9.738 1.00 0.00 C ATOM 1732 O THR A 112 -10.186 2.518 -10.236 1.00 0.00 O ATOM 1733 CB THR A 112 -8.055 3.032 -7.758 1.00 0.00 C ATOM 1734 OG1 THR A 112 -6.889 2.838 -8.554 1.00 0.00 O ATOM 1735 CG2 THR A 112 -7.568 2.814 -6.324 1.00 0.00 C ATOM 0 H THR A 112 -7.558 0.706 -7.349 1.00 0.00 H new ATOM 0 HA THR A 112 -9.991 2.129 -7.786 1.00 0.00 H new ATOM 0 HB THR A 112 -8.551 4.000 -7.830 1.00 0.00 H new ATOM 0 HG1 THR A 112 -6.384 2.071 -8.212 1.00 0.00 H new ATOM 0 HG21 THR A 112 -6.892 3.621 -6.043 1.00 0.00 H new ATOM 0 HG22 THR A 112 -8.422 2.804 -5.647 1.00 0.00 H new ATOM 0 HG23 THR A 112 -7.043 1.861 -6.259 1.00 0.00 H new ATOM 1743 N GLY A 113 -8.333 1.236 -10.429 1.00 0.00 N ATOM 1744 CA GLY A 113 -8.417 1.139 -11.877 1.00 0.00 C ATOM 1745 C GLY A 113 -7.563 2.216 -12.549 1.00 0.00 C ATOM 1746 O GLY A 113 -7.251 2.115 -13.735 1.00 0.00 O ATOM 0 H GLY A 113 -7.543 0.742 -10.013 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -8.084 0.152 -12.199 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -9.455 1.244 -12.192 1.00 0.00 H new ATOM 1750 N ASN A 114 -7.209 3.222 -11.763 1.00 0.00 N ATOM 1751 CA ASN A 114 -6.398 4.316 -12.267 1.00 0.00 C ATOM 1752 C ASN A 114 -4.961 4.153 -11.767 1.00 0.00 C ATOM 1753 O ASN A 114 -4.716 3.444 -10.792 1.00 0.00 O ATOM 1754 CB ASN A 114 -6.921 5.665 -11.769 1.00 0.00 C ATOM 1755 CG ASN A 114 -8.145 6.109 -12.572 1.00 0.00 C ATOM 1756 OD1 ASN A 114 -8.150 6.116 -13.792 1.00 0.00 O ATOM 1757 ND2 ASN A 114 -9.180 6.478 -11.822 1.00 0.00 N ATOM 0 H ASN A 114 -7.469 3.302 -10.780 1.00 0.00 H new ATOM 0 HA ASN A 114 -6.440 4.292 -13.356 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -7.182 5.591 -10.713 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -6.136 6.416 -11.851 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -10.044 6.791 -12.264 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -9.109 6.448 -10.805 1.00 0.00 H new ATOM 1764 N ALA A 115 -4.048 4.820 -12.458 1.00 0.00 N ATOM 1765 CA ALA A 115 -2.642 4.757 -12.096 1.00 0.00 C ATOM 1766 C ALA A 115 -2.413 5.562 -10.815 1.00 0.00 C ATOM 1767 O ALA A 115 -3.113 6.541 -10.559 1.00 0.00 O ATOM 1768 CB ALA A 115 -1.792 5.264 -13.263 1.00 0.00 C ATOM 0 H ALA A 115 -4.254 5.407 -13.266 1.00 0.00 H new ATOM 0 HA ALA A 115 -2.342 3.728 -11.897 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.737 5.217 -12.992 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.970 4.641 -14.140 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -2.063 6.295 -13.489 1.00 0.00 H new ATOM 1774 N TRP A 116 -1.431 5.120 -10.045 1.00 0.00 N ATOM 1775 CA TRP A 116 -1.101 5.787 -8.797 1.00 0.00 C ATOM 1776 C TRP A 116 -0.583 7.187 -9.131 1.00 0.00 C ATOM 1777 O TRP A 116 -1.142 8.185 -8.678 1.00 0.00 O ATOM 1778 CB TRP A 116 -0.105 4.961 -7.980 1.00 0.00 C ATOM 1779 CG TRP A 116 0.671 5.772 -6.940 1.00 0.00 C ATOM 1780 CD1 TRP A 116 1.661 6.651 -7.150 1.00 0.00 C ATOM 1781 CD2 TRP A 116 0.480 5.742 -5.510 1.00 0.00 C ATOM 1782 NE1 TRP A 116 2.120 7.188 -5.964 1.00 0.00 N ATOM 1783 CE2 TRP A 116 1.379 6.618 -4.935 1.00 0.00 C ATOM 1784 CE3 TRP A 116 -0.423 5.001 -4.727 1.00 0.00 C ATOM 1785 CZ2 TRP A 116 1.463 6.834 -3.554 1.00 0.00 C ATOM 1786 CZ3 TRP A 116 -0.326 5.228 -3.349 1.00 0.00 C ATOM 1787 CH2 TRP A 116 0.573 6.105 -2.755 1.00 0.00 C ATOM 0 H TRP A 116 -0.853 4.308 -10.261 1.00 0.00 H new ATOM 0 HA TRP A 116 -1.985 5.884 -8.167 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -0.643 4.160 -7.473 1.00 0.00 H new ATOM 0 HB3 TRP A 116 0.604 4.489 -8.660 1.00 0.00 H new ATOM 0 HD1 TRP A 116 2.050 6.907 -8.124 1.00 0.00 H new ATOM 0 HE1 TRP A 116 2.866 7.876 -5.861 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -1.135 4.311 -5.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 2.175 7.525 -3.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -0.997 4.683 -2.702 1.00 0.00 H new ATOM 0 HH2 TRP A 116 0.586 6.224 -1.682 1.00 0.00 H new ATOM 1798 N HIS A 117 0.480 7.217 -9.922 1.00 0.00 N ATOM 1799 CA HIS A 117 1.079 8.479 -10.323 1.00 0.00 C ATOM 1800 C HIS A 117 0.337 9.036 -11.539 1.00 0.00 C ATOM 1801 O HIS A 117 0.907 9.139 -12.625 1.00 0.00 O ATOM 1802 CB HIS A 117 2.580 8.313 -10.568 1.00 0.00 C ATOM 1803 CG HIS A 117 3.441 9.275 -9.784 1.00 0.00 C ATOM 1804 ND1 HIS A 117 4.035 8.938 -8.580 1.00 0.00 N ATOM 1805 CD2 HIS A 117 3.801 10.565 -10.044 1.00 0.00 C ATOM 1806 CE1 HIS A 117 4.719 9.986 -8.144 1.00 0.00 C ATOM 1807 NE2 HIS A 117 4.572 10.993 -9.052 1.00 0.00 N ATOM 0 H HIS A 117 0.942 6.388 -10.296 1.00 0.00 H new ATOM 0 HA HIS A 117 0.980 9.206 -9.517 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.869 7.293 -10.314 1.00 0.00 H new ATOM 0 HB3 HIS A 117 2.781 8.445 -11.631 1.00 0.00 H new ATOM 0 HD2 HIS A 117 3.508 11.140 -10.910 1.00 0.00 H new ATOM 0 HE1 HIS A 117 5.292 10.034 -7.230 1.00 0.00 H new ATOM 0 HE2 HIS A 117 4.986 11.922 -8.980 1.00 0.00 H new ATOM 1815 N SER A 118 -0.922 9.381 -11.317 1.00 0.00 N ATOM 1816 CA SER A 118 -1.748 9.926 -12.381 1.00 0.00 C ATOM 1817 C SER A 118 -2.116 11.377 -12.068 1.00 0.00 C ATOM 1818 O SER A 118 -2.458 11.703 -10.932 1.00 0.00 O ATOM 1819 CB SER A 118 -3.013 9.088 -12.580 1.00 0.00 C ATOM 1820 OG SER A 118 -4.057 9.836 -13.198 1.00 0.00 O ATOM 0 H SER A 118 -1.391 9.294 -10.415 1.00 0.00 H new ATOM 0 HA SER A 118 -1.175 9.896 -13.308 1.00 0.00 H new ATOM 0 HB2 SER A 118 -2.779 8.218 -13.193 1.00 0.00 H new ATOM 0 HB3 SER A 118 -3.356 8.715 -11.615 1.00 0.00 H new ATOM 0 HG SER A 118 -4.637 10.220 -12.508 1.00 0.00 H new ATOM 1826 N LYS A 119 -2.035 12.210 -13.095 1.00 0.00 N ATOM 1827 CA LYS A 119 -2.355 13.619 -12.943 1.00 0.00 C ATOM 1828 C LYS A 119 -3.631 13.761 -12.112 1.00 0.00 C ATOM 1829 O LYS A 119 -3.569 14.035 -10.914 1.00 0.00 O ATOM 1830 CB LYS A 119 -2.433 14.301 -14.310 1.00 0.00 C ATOM 1831 CG LYS A 119 -1.043 14.718 -14.795 1.00 0.00 C ATOM 1832 CD LYS A 119 -0.515 13.745 -15.851 1.00 0.00 C ATOM 1833 CE LYS A 119 -0.062 14.491 -17.107 1.00 0.00 C ATOM 1834 NZ LYS A 119 1.416 14.532 -17.181 1.00 0.00 N ATOM 0 H LYS A 119 -1.752 11.936 -14.036 1.00 0.00 H new ATOM 0 HA LYS A 119 -1.562 14.133 -12.400 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -2.886 13.623 -15.033 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -3.078 15.177 -14.247 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -1.086 15.724 -15.212 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -0.355 14.752 -13.951 1.00 0.00 H new ATOM 0 HD2 LYS A 119 0.319 13.176 -15.441 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -1.293 13.027 -16.111 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -0.463 14.000 -17.993 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -0.460 15.506 -17.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 1.707 15.042 -18.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 1.792 15.021 -16.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 1.789 13.562 -17.212 1.00 0.00 H new ATOM 1848 N ASN A 120 -4.759 13.567 -12.780 1.00 0.00 N ATOM 1849 CA ASN A 120 -6.048 13.670 -12.118 1.00 0.00 C ATOM 1850 C ASN A 120 -6.596 12.266 -11.855 1.00 0.00 C ATOM 1851 O ASN A 120 -6.116 11.291 -12.432 1.00 0.00 O ATOM 1852 CB ASN A 120 -7.059 14.416 -12.992 1.00 0.00 C ATOM 1853 CG ASN A 120 -8.081 15.162 -12.133 1.00 0.00 C ATOM 1854 OD1 ASN A 120 -7.860 15.450 -10.968 1.00 0.00 O ATOM 1855 ND2 ASN A 120 -9.210 15.459 -12.770 1.00 0.00 N ATOM 0 H ASN A 120 -4.807 13.339 -13.773 1.00 0.00 H new ATOM 0 HA ASN A 120 -5.905 14.216 -11.186 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.536 15.122 -13.637 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -7.573 13.709 -13.644 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -9.955 15.957 -12.282 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -9.331 15.189 -13.746 1.00 0.00 H new ATOM 1862 N PHE A 121 -7.593 12.207 -10.985 1.00 0.00 N ATOM 1863 CA PHE A 121 -8.211 10.938 -10.640 1.00 0.00 C ATOM 1864 C PHE A 121 -9.695 10.932 -11.011 1.00 0.00 C ATOM 1865 O PHE A 121 -10.491 11.657 -10.416 1.00 0.00 O ATOM 1866 CB PHE A 121 -8.076 10.772 -9.125 1.00 0.00 C ATOM 1867 CG PHE A 121 -8.614 9.442 -8.594 1.00 0.00 C ATOM 1868 CD1 PHE A 121 -7.828 8.333 -8.615 1.00 0.00 C ATOM 1869 CD2 PHE A 121 -9.880 9.369 -8.100 1.00 0.00 C ATOM 1870 CE1 PHE A 121 -8.328 7.099 -8.122 1.00 0.00 C ATOM 1871 CE2 PHE A 121 -10.380 8.135 -7.608 1.00 0.00 C ATOM 1872 CZ PHE A 121 -9.593 7.026 -7.629 1.00 0.00 C ATOM 0 H PHE A 121 -7.988 13.018 -10.508 1.00 0.00 H new ATOM 0 HA PHE A 121 -7.725 10.128 -11.183 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -7.024 10.862 -8.852 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -8.604 11.588 -8.632 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -6.823 8.391 -9.007 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.504 10.250 -8.082 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -7.703 6.218 -8.139 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.385 8.077 -7.217 1.00 0.00 H new ATOM 0 HZ PHE A 121 -9.973 6.087 -7.254 1.00 0.00 H new ATOM 1882 N THR A 122 -10.024 10.105 -11.993 1.00 0.00 N ATOM 1883 CA THR A 122 -11.398 9.995 -12.450 1.00 0.00 C ATOM 1884 C THR A 122 -12.158 8.965 -11.613 1.00 0.00 C ATOM 1885 O THR A 122 -11.750 7.808 -11.525 1.00 0.00 O ATOM 1886 CB THR A 122 -11.374 9.665 -13.944 1.00 0.00 C ATOM 1887 OG1 THR A 122 -11.215 10.932 -14.577 1.00 0.00 O ATOM 1888 CG2 THR A 122 -12.726 9.161 -14.454 1.00 0.00 C ATOM 0 H THR A 122 -9.362 9.505 -12.485 1.00 0.00 H new ATOM 0 HA THR A 122 -11.935 10.934 -12.318 1.00 0.00 H new ATOM 0 HB THR A 122 -10.610 8.912 -14.137 1.00 0.00 H new ATOM 0 HG1 THR A 122 -11.188 10.811 -15.549 1.00 0.00 H new ATOM 0 HG21 THR A 122 -12.654 8.941 -15.519 1.00 0.00 H new ATOM 0 HG22 THR A 122 -13.004 8.255 -13.915 1.00 0.00 H new ATOM 0 HG23 THR A 122 -13.485 9.927 -14.292 1.00 0.00 H new ATOM 1896 N LYS A 123 -13.250 9.422 -11.018 1.00 0.00 N ATOM 1897 CA LYS A 123 -14.071 8.555 -10.191 1.00 0.00 C ATOM 1898 C LYS A 123 -14.735 7.495 -11.072 1.00 0.00 C ATOM 1899 O LYS A 123 -15.389 7.825 -12.061 1.00 0.00 O ATOM 1900 CB LYS A 123 -15.063 9.380 -9.369 1.00 0.00 C ATOM 1901 CG LYS A 123 -15.189 8.829 -7.947 1.00 0.00 C ATOM 1902 CD LYS A 123 -16.650 8.539 -7.599 1.00 0.00 C ATOM 1903 CE LYS A 123 -16.761 7.342 -6.652 1.00 0.00 C ATOM 1904 NZ LYS A 123 -17.964 7.466 -5.799 1.00 0.00 N ATOM 0 H LYS A 123 -13.585 10.382 -11.092 1.00 0.00 H new ATOM 0 HA LYS A 123 -13.454 8.026 -9.465 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -14.735 10.419 -9.333 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -16.039 9.371 -9.854 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -14.601 7.916 -7.854 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -14.778 9.547 -7.237 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -17.098 9.417 -7.135 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -17.212 8.339 -8.511 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -16.810 6.418 -7.228 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -15.870 7.281 -6.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -17.873 6.837 -4.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -18.059 8.449 -5.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -18.807 7.199 -6.347 1.00 0.00 H new ATOM 1918 N TYR A 124 -14.545 6.243 -10.682 1.00 0.00 N ATOM 1919 CA TYR A 124 -15.118 5.133 -11.425 1.00 0.00 C ATOM 1920 C TYR A 124 -16.285 4.506 -10.660 1.00 0.00 C ATOM 1921 O TYR A 124 -16.527 4.844 -9.502 1.00 0.00 O ATOM 1922 CB TYR A 124 -14.000 4.097 -11.563 1.00 0.00 C ATOM 1923 CG TYR A 124 -13.193 4.223 -12.857 1.00 0.00 C ATOM 1924 CD1 TYR A 124 -13.802 3.997 -14.075 1.00 0.00 C ATOM 1925 CD2 TYR A 124 -11.856 4.561 -12.806 1.00 0.00 C ATOM 1926 CE1 TYR A 124 -13.042 4.115 -15.292 1.00 0.00 C ATOM 1927 CE2 TYR A 124 -11.096 4.679 -14.024 1.00 0.00 C ATOM 1928 CZ TYR A 124 -11.726 4.450 -15.207 1.00 0.00 C ATOM 1929 OH TYR A 124 -11.009 4.561 -16.357 1.00 0.00 O ATOM 0 H TYR A 124 -14.003 5.973 -9.862 1.00 0.00 H new ATOM 0 HA TYR A 124 -15.497 5.471 -12.389 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -13.323 4.192 -10.714 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -14.435 3.099 -11.514 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -14.848 3.732 -14.115 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -11.379 4.737 -11.853 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -13.506 3.941 -16.252 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -10.049 4.943 -13.998 1.00 0.00 H new ATOM 0 HH TYR A 124 -10.085 4.807 -16.144 1.00 0.00 H new ATOM 1939 N PRO A 125 -16.997 3.580 -11.357 1.00 0.00 N ATOM 1940 CA PRO A 125 -18.134 2.903 -10.756 1.00 0.00 C ATOM 1941 C PRO A 125 -17.673 1.844 -9.752 1.00 0.00 C ATOM 1942 O PRO A 125 -17.413 2.156 -8.591 1.00 0.00 O ATOM 1943 CB PRO A 125 -18.906 2.316 -11.926 1.00 0.00 C ATOM 1944 CG PRO A 125 -17.933 2.286 -13.094 1.00 0.00 C ATOM 1945 CD PRO A 125 -16.740 3.155 -12.729 1.00 0.00 C ATOM 0 HA PRO A 125 -18.766 3.576 -10.177 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -19.267 1.314 -11.693 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -19.780 2.923 -12.161 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -17.613 1.264 -13.298 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -18.412 2.657 -14.000 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -15.807 2.597 -12.802 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -16.654 4.010 -13.399 1.00 0.00 H new ATOM 1953 N LYS A 126 -17.586 0.614 -10.236 1.00 0.00 N ATOM 1954 CA LYS A 126 -17.162 -0.493 -9.395 1.00 0.00 C ATOM 1955 C LYS A 126 -15.642 -0.446 -9.228 1.00 0.00 C ATOM 1956 O LYS A 126 -14.951 -1.419 -9.525 1.00 0.00 O ATOM 1957 CB LYS A 126 -17.678 -1.820 -9.955 1.00 0.00 C ATOM 1958 CG LYS A 126 -19.208 -1.838 -9.999 1.00 0.00 C ATOM 1959 CD LYS A 126 -19.758 -3.141 -9.415 1.00 0.00 C ATOM 1960 CE LYS A 126 -19.278 -4.349 -10.223 1.00 0.00 C ATOM 1961 NZ LYS A 126 -20.318 -5.402 -10.246 1.00 0.00 N ATOM 0 H LYS A 126 -17.802 0.359 -11.200 1.00 0.00 H new ATOM 0 HA LYS A 126 -17.596 -0.404 -8.399 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -17.280 -1.975 -10.958 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -17.318 -2.644 -9.338 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -19.601 -0.990 -9.439 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -19.547 -1.725 -11.029 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -19.439 -3.242 -8.378 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -20.848 -3.111 -9.411 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -19.040 -4.042 -11.241 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -18.361 -4.745 -9.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -19.977 -6.215 -10.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -20.525 -5.707 -9.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -21.184 -5.026 -10.683 1.00 0.00 H new ATOM 1975 N LYS A 127 -15.165 0.695 -8.752 1.00 0.00 N ATOM 1976 CA LYS A 127 -13.740 0.881 -8.542 1.00 0.00 C ATOM 1977 C LYS A 127 -13.497 1.341 -7.103 1.00 0.00 C ATOM 1978 O LYS A 127 -14.422 1.787 -6.425 1.00 0.00 O ATOM 1979 CB LYS A 127 -13.161 1.827 -9.596 1.00 0.00 C ATOM 1980 CG LYS A 127 -13.181 1.181 -10.982 1.00 0.00 C ATOM 1981 CD LYS A 127 -12.482 -0.180 -10.963 1.00 0.00 C ATOM 1982 CE LYS A 127 -11.726 -0.426 -12.270 1.00 0.00 C ATOM 1983 NZ LYS A 127 -12.040 -1.770 -12.806 1.00 0.00 N ATOM 0 H LYS A 127 -15.741 1.500 -8.506 1.00 0.00 H new ATOM 0 HA LYS A 127 -13.210 -0.063 -8.670 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -13.736 2.753 -9.614 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -12.138 2.092 -9.329 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -14.212 1.060 -11.316 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -12.688 1.837 -11.700 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -11.788 -0.225 -10.123 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -13.218 -0.969 -10.811 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -11.995 0.336 -13.002 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -10.653 -0.338 -12.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -11.519 -1.920 -13.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -11.761 -2.494 -12.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -13.061 -1.841 -12.989 1.00 0.00 H new ATOM 1997 N PHE A 128 -12.248 1.218 -6.679 1.00 0.00 N ATOM 1998 CA PHE A 128 -11.872 1.616 -5.333 1.00 0.00 C ATOM 1999 C PHE A 128 -11.171 2.976 -5.339 1.00 0.00 C ATOM 2000 O PHE A 128 -10.041 3.094 -5.811 1.00 0.00 O ATOM 2001 CB PHE A 128 -10.900 0.557 -4.809 1.00 0.00 C ATOM 2002 CG PHE A 128 -11.570 -0.759 -4.408 1.00 0.00 C ATOM 2003 CD1 PHE A 128 -12.263 -0.842 -3.241 1.00 0.00 C ATOM 2004 CD2 PHE A 128 -11.472 -1.847 -5.220 1.00 0.00 C ATOM 2005 CE1 PHE A 128 -12.885 -2.063 -2.870 1.00 0.00 C ATOM 2006 CE2 PHE A 128 -12.094 -3.068 -4.848 1.00 0.00 C ATOM 2007 CZ PHE A 128 -12.787 -3.150 -3.681 1.00 0.00 C ATOM 0 H PHE A 128 -11.483 0.848 -7.244 1.00 0.00 H new ATOM 0 HA PHE A 128 -12.761 1.698 -4.707 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -10.153 0.353 -5.576 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -10.370 0.960 -3.946 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -12.340 0.021 -2.596 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -10.921 -1.782 -6.147 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -13.436 -2.129 -1.943 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -12.017 -3.932 -5.492 1.00 0.00 H new ATOM 0 HZ PHE A 128 -13.260 -4.079 -3.398 1.00 0.00 H new ATOM 2017 N TYR A 129 -11.870 3.968 -4.808 1.00 0.00 N ATOM 2018 CA TYR A 129 -11.329 5.315 -4.746 1.00 0.00 C ATOM 2019 C TYR A 129 -10.793 5.627 -3.347 1.00 0.00 C ATOM 2020 O TYR A 129 -11.074 4.901 -2.395 1.00 0.00 O ATOM 2021 CB TYR A 129 -12.498 6.254 -5.052 1.00 0.00 C ATOM 2022 CG TYR A 129 -13.742 5.997 -4.199 1.00 0.00 C ATOM 2023 CD1 TYR A 129 -13.702 6.219 -2.837 1.00 0.00 C ATOM 2024 CD2 TYR A 129 -14.903 5.545 -4.791 1.00 0.00 C ATOM 2025 CE1 TYR A 129 -14.872 5.977 -2.034 1.00 0.00 C ATOM 2026 CE2 TYR A 129 -16.074 5.303 -3.988 1.00 0.00 C ATOM 2027 CZ TYR A 129 -16.001 5.532 -2.649 1.00 0.00 C ATOM 2028 OH TYR A 129 -17.106 5.304 -1.890 1.00 0.00 O ATOM 0 H TYR A 129 -12.806 3.866 -4.417 1.00 0.00 H new ATOM 0 HA TYR A 129 -10.505 5.430 -5.450 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -12.173 7.283 -4.901 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -12.765 6.155 -6.104 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -12.793 6.574 -2.374 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -14.934 5.373 -5.857 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -14.854 6.145 -0.967 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -16.989 4.948 -4.439 1.00 0.00 H new ATOM 0 HH TYR A 129 -17.837 4.990 -2.462 1.00 0.00 H new ATOM 2038 N PRO A 130 -10.010 6.736 -3.266 1.00 0.00 N ATOM 2039 CA PRO A 130 -9.432 7.153 -2.000 1.00 0.00 C ATOM 2040 C PRO A 130 -10.491 7.791 -1.098 1.00 0.00 C ATOM 2041 O PRO A 130 -11.211 8.693 -1.522 1.00 0.00 O ATOM 2042 CB PRO A 130 -8.314 8.113 -2.374 1.00 0.00 C ATOM 2043 CG PRO A 130 -8.606 8.556 -3.799 1.00 0.00 C ATOM 2044 CD PRO A 130 -9.656 7.620 -4.373 1.00 0.00 C ATOM 0 HA PRO A 130 -9.043 6.316 -1.420 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -8.289 8.967 -1.697 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -7.342 7.625 -2.308 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -8.964 9.585 -3.813 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -7.698 8.526 -4.401 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -10.525 8.172 -4.732 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -9.264 7.057 -5.220 1.00 0.00 H new ATOM 2052 N LEU A 131 -10.550 7.298 0.131 1.00 0.00 N ATOM 2053 CA LEU A 131 -11.508 7.809 1.096 1.00 0.00 C ATOM 2054 C LEU A 131 -10.990 9.128 1.674 1.00 0.00 C ATOM 2055 O LEU A 131 -11.697 10.134 1.665 1.00 0.00 O ATOM 2056 CB LEU A 131 -11.816 6.751 2.158 1.00 0.00 C ATOM 2057 CG LEU A 131 -12.247 5.380 1.633 1.00 0.00 C ATOM 2058 CD1 LEU A 131 -12.312 4.355 2.766 1.00 0.00 C ATOM 2059 CD2 LEU A 131 -13.569 5.476 0.870 1.00 0.00 C ATOM 0 H LEU A 131 -9.950 6.551 0.480 1.00 0.00 H new ATOM 0 HA LEU A 131 -12.459 8.025 0.610 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -10.929 6.618 2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -12.604 7.134 2.806 1.00 0.00 H new ATOM 0 HG LEU A 131 -11.493 5.032 0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -12.621 3.389 2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -11.329 4.259 3.227 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -13.033 4.685 3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -13.853 4.488 0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -14.346 5.856 1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -13.452 6.153 0.024 1.00 0.00 H new ATOM 2071 N GLU A 132 -9.760 9.079 2.164 1.00 0.00 N ATOM 2072 CA GLU A 132 -9.138 10.257 2.745 1.00 0.00 C ATOM 2073 C GLU A 132 -7.660 10.324 2.355 1.00 0.00 C ATOM 2074 O GLU A 132 -6.865 9.484 2.773 1.00 0.00 O ATOM 2075 CB GLU A 132 -9.305 10.271 4.265 1.00 0.00 C ATOM 2076 CG GLU A 132 -9.206 11.696 4.815 1.00 0.00 C ATOM 2077 CD GLU A 132 -9.248 11.698 6.344 1.00 0.00 C ATOM 2078 OE1 GLU A 132 -10.372 11.587 6.881 1.00 0.00 O ATOM 2079 OE2 GLU A 132 -8.157 11.810 6.942 1.00 0.00 O ATOM 0 H GLU A 132 -9.177 8.242 2.171 1.00 0.00 H new ATOM 0 HA GLU A 132 -9.638 11.141 2.349 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -10.270 9.841 4.532 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -8.539 9.646 4.724 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -8.280 12.158 4.473 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -10.026 12.298 4.424 1.00 0.00 H new