USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=27 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 44 SER OG : rot -179:sc= -3.65! USER MOD Set 1.2: A 61 LYS NZ :NH3+ -116:sc= 0.732 (180deg=-1.1!) USER MOD Set 1.3: A 63 GLN : amide:sc= -4.02! C(o=-6.9!,f=-15!) USER MOD Single : A 27 SER OG : rot -63:sc= 1.65 USER MOD Single : A 31 HIS : no HD1:sc= 0.281 K(o=0.28,f=-2.1!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS :FLIP no HE2:sc= -0.0588 F(o=-1.2,f=-0.059) USER MOD Single : A 38 LYS NZ :NH3+ -149:sc= -0.429 (180deg=-2.13!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.538 USER MOD Single : A 57 ASN : amide:sc= -0.568 K(o=-0.57,f=-4!) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0857 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.397 USER MOD Single : A 73 TYR OH : rot -152:sc= 1.02 USER MOD Single : A 78 SER OG : rot 160:sc= -0.0341 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN :FLIP amide:sc= -0.16 F(o=-0.88,f=-0.16) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= -0.0113 X(o=-0.011,f=0) USER MOD Single : A 94 MET CE :methyl -171:sc= -0.576 (180deg=-0.738) 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 103 HIS :FLIP no HD1:sc= -0.372 F(o=-1.5!,f=-0.37) USER MOD Single : A 105 MET CE :methyl -150:sc= -0.12 (180deg=-1.14) 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+ 162:sc= 0.0742 (180deg=0.0267) USER MOD Single : A 112 THR OG1 : rot -78:sc= 1.28 USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=-0.00033) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc=-0.00429 X(o=-0.0043,f=-0.076) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ -109:sc= 0.234 (180deg=0) 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 3.185 8.491 7.368 1.00 0.00 N ATOM 288 CA ALA A 21 3.335 7.085 7.033 1.00 0.00 C ATOM 289 C ALA A 21 3.147 6.241 8.296 1.00 0.00 C ATOM 290 O ALA A 21 4.042 6.167 9.136 1.00 0.00 O ATOM 291 CB ALA A 21 4.699 6.858 6.378 1.00 0.00 C ATOM 0 HA ALA A 21 2.574 6.779 6.315 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.811 5.803 6.127 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.771 7.457 5.470 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.488 7.152 7.070 1.00 0.00 H new ATOM 297 N ALA A 22 1.977 5.627 8.390 1.00 0.00 N ATOM 298 CA ALA A 22 1.660 4.792 9.536 1.00 0.00 C ATOM 299 C ALA A 22 1.510 3.340 9.077 1.00 0.00 C ATOM 300 O ALA A 22 0.765 3.055 8.141 1.00 0.00 O ATOM 301 CB ALA A 22 0.398 5.321 10.220 1.00 0.00 C ATOM 0 H ALA A 22 1.237 5.691 7.691 1.00 0.00 H new ATOM 0 HA ALA A 22 2.466 4.824 10.269 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.160 4.694 11.080 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.567 6.345 10.553 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.433 5.301 9.515 1.00 0.00 H new ATOM 307 N VAL A 23 2.229 2.460 9.759 1.00 0.00 N ATOM 308 CA VAL A 23 2.185 1.045 9.433 1.00 0.00 C ATOM 309 C VAL A 23 1.076 0.373 10.246 1.00 0.00 C ATOM 310 O VAL A 23 0.754 0.816 11.347 1.00 0.00 O ATOM 311 CB VAL A 23 3.559 0.412 9.660 1.00 0.00 C ATOM 312 CG1 VAL A 23 3.490 -1.111 9.533 1.00 0.00 C ATOM 313 CG2 VAL A 23 4.597 0.996 8.699 1.00 0.00 C ATOM 0 H VAL A 23 2.845 2.700 10.536 1.00 0.00 H new ATOM 0 HA VAL A 23 1.947 0.904 8.379 1.00 0.00 H new ATOM 0 HB VAL A 23 3.873 0.649 10.677 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.480 -1.535 9.699 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.797 -1.507 10.275 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.144 -1.378 8.534 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.565 0.529 8.881 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.290 0.804 7.671 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.677 2.071 8.859 1.00 0.00 H new ATOM 323 N ASP A 24 0.523 -0.685 9.672 1.00 0.00 N ATOM 324 CA ASP A 24 -0.542 -1.422 10.330 1.00 0.00 C ATOM 325 C ASP A 24 0.069 -2.464 11.268 1.00 0.00 C ATOM 326 O ASP A 24 1.151 -2.985 11.004 1.00 0.00 O ATOM 327 CB ASP A 24 -1.414 -2.158 9.310 1.00 0.00 C ATOM 328 CG ASP A 24 -2.835 -1.611 9.160 1.00 0.00 C ATOM 329 OD1 ASP A 24 -2.949 -0.414 8.818 1.00 0.00 O ATOM 330 OD2 ASP A 24 -3.775 -2.402 9.390 1.00 0.00 O ATOM 0 H ASP A 24 0.793 -1.050 8.758 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.155 -0.709 10.881 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.921 -2.119 8.338 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.473 -3.208 9.596 1.00 0.00 H new ATOM 335 N PRO A 25 -0.671 -2.745 12.375 1.00 0.00 N ATOM 336 CA PRO A 25 -0.213 -3.716 13.354 1.00 0.00 C ATOM 337 C PRO A 25 -0.387 -5.144 12.834 1.00 0.00 C ATOM 338 O PRO A 25 0.241 -6.073 13.339 1.00 0.00 O ATOM 339 CB PRO A 25 -1.036 -3.434 14.601 1.00 0.00 C ATOM 340 CG PRO A 25 -2.240 -2.632 14.134 1.00 0.00 C ATOM 341 CD PRO A 25 -1.957 -2.148 12.721 1.00 0.00 C ATOM 0 HA PRO A 25 0.852 -3.628 13.567 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.347 -4.362 15.081 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.455 -2.875 15.334 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.140 -3.247 14.154 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.417 -1.787 14.799 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -2.739 -2.464 12.030 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.913 -1.060 12.677 1.00 0.00 H new ATOM 349 N ASP A 26 -1.242 -5.274 11.830 1.00 0.00 N ATOM 350 CA ASP A 26 -1.506 -6.573 11.236 1.00 0.00 C ATOM 351 C ASP A 26 -0.302 -6.998 10.393 1.00 0.00 C ATOM 352 O ASP A 26 -0.137 -8.179 10.090 1.00 0.00 O ATOM 353 CB ASP A 26 -2.730 -6.521 10.318 1.00 0.00 C ATOM 354 CG ASP A 26 -4.024 -7.056 10.935 1.00 0.00 C ATOM 355 OD1 ASP A 26 -3.932 -8.079 11.647 1.00 0.00 O ATOM 356 OD2 ASP A 26 -5.075 -6.430 10.680 1.00 0.00 O ATOM 0 H ASP A 26 -1.761 -4.501 11.413 1.00 0.00 H new ATOM 0 HA ASP A 26 -1.690 -7.281 12.044 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.892 -5.488 10.011 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.513 -7.091 9.415 1.00 0.00 H new ATOM 361 N SER A 27 0.509 -6.012 10.038 1.00 0.00 N ATOM 362 CA SER A 27 1.694 -6.269 9.237 1.00 0.00 C ATOM 363 C SER A 27 2.790 -6.889 10.106 1.00 0.00 C ATOM 364 O SER A 27 3.586 -7.694 9.627 1.00 0.00 O ATOM 365 CB SER A 27 2.202 -4.985 8.578 1.00 0.00 C ATOM 366 OG SER A 27 2.932 -4.169 9.490 1.00 0.00 O ATOM 0 H SER A 27 0.369 -5.034 10.290 1.00 0.00 H new ATOM 0 HA SER A 27 1.427 -6.970 8.447 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.838 -5.240 7.730 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.357 -4.421 8.184 1.00 0.00 H new ATOM 0 HG SER A 27 2.340 -3.879 10.215 1.00 0.00 H new ATOM 372 N GLY A 28 2.795 -6.489 11.370 1.00 0.00 N ATOM 373 CA GLY A 28 3.780 -6.995 12.310 1.00 0.00 C ATOM 374 C GLY A 28 5.119 -6.275 12.143 1.00 0.00 C ATOM 375 O GLY A 28 6.114 -6.654 12.759 1.00 0.00 O ATOM 0 H GLY A 28 2.133 -5.821 11.764 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.417 -6.863 13.329 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.917 -8.065 12.157 1.00 0.00 H new ATOM 379 N LEU A 29 5.101 -5.248 11.305 1.00 0.00 N ATOM 380 CA LEU A 29 6.302 -4.471 11.048 1.00 0.00 C ATOM 381 C LEU A 29 6.086 -3.034 11.525 1.00 0.00 C ATOM 382 O LEU A 29 6.945 -2.175 11.330 1.00 0.00 O ATOM 383 CB LEU A 29 6.704 -4.577 9.576 1.00 0.00 C ATOM 384 CG LEU A 29 6.280 -5.858 8.855 1.00 0.00 C ATOM 385 CD1 LEU A 29 6.413 -5.704 7.339 1.00 0.00 C ATOM 386 CD2 LEU A 29 7.059 -7.066 9.379 1.00 0.00 C ATOM 0 H LEU A 29 4.274 -4.936 10.796 1.00 0.00 H new ATOM 0 HA LEU A 29 7.143 -4.872 11.613 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.281 -3.726 9.042 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.788 -4.488 9.509 1.00 0.00 H new ATOM 0 HG LEU A 29 5.226 -6.037 9.069 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.105 -6.629 6.851 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.778 -4.886 6.999 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.451 -5.488 7.085 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.738 -7.963 8.850 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.125 -6.910 9.216 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.869 -7.187 10.446 1.00 0.00 H new ATOM 398 N GLU A 30 4.933 -2.816 12.142 1.00 0.00 N ATOM 399 CA GLU A 30 4.593 -1.497 12.648 1.00 0.00 C ATOM 400 C GLU A 30 5.657 -1.018 13.638 1.00 0.00 C ATOM 401 O GLU A 30 5.815 0.183 13.852 1.00 0.00 O ATOM 402 CB GLU A 30 3.206 -1.498 13.292 1.00 0.00 C ATOM 403 CG GLU A 30 3.082 -2.620 14.326 1.00 0.00 C ATOM 404 CD GLU A 30 2.097 -2.238 15.433 1.00 0.00 C ATOM 405 OE1 GLU A 30 1.532 -1.128 15.332 1.00 0.00 O ATOM 406 OE2 GLU A 30 1.932 -3.066 16.356 1.00 0.00 O ATOM 0 H GLU A 30 4.223 -3.531 12.303 1.00 0.00 H new ATOM 0 HA GLU A 30 4.567 -0.803 11.808 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.023 -0.536 13.770 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.444 -1.622 12.523 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.748 -3.535 13.837 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.060 -2.829 14.760 1.00 0.00 H new ATOM 413 N HIS A 31 6.359 -1.982 14.216 1.00 0.00 N ATOM 414 CA HIS A 31 7.403 -1.674 15.178 1.00 0.00 C ATOM 415 C HIS A 31 8.741 -2.218 14.675 1.00 0.00 C ATOM 416 O HIS A 31 9.718 -2.263 15.422 1.00 0.00 O ATOM 417 CB HIS A 31 7.034 -2.199 16.567 1.00 0.00 C ATOM 418 CG HIS A 31 6.402 -3.570 16.557 1.00 0.00 C ATOM 419 ND1 HIS A 31 6.655 -4.505 15.569 1.00 0.00 N ATOM 420 CD2 HIS A 31 5.526 -4.154 17.425 1.00 0.00 C ATOM 421 CE1 HIS A 31 5.957 -5.598 15.839 1.00 0.00 C ATOM 422 NE2 HIS A 31 5.258 -5.379 16.990 1.00 0.00 N ATOM 0 H HIS A 31 6.225 -2.977 14.036 1.00 0.00 H new ATOM 0 HA HIS A 31 7.504 -0.593 15.277 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.932 -2.229 17.183 1.00 0.00 H new ATOM 0 HB3 HIS A 31 6.347 -1.497 17.039 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.120 -3.697 18.315 1.00 0.00 H new ATOM 0 HE1 HIS A 31 5.944 -6.504 15.251 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.633 -6.046 17.442 1.00 0.00 H new ATOM 430 N SER A 32 8.744 -2.617 13.412 1.00 0.00 N ATOM 431 CA SER A 32 9.947 -3.156 12.800 1.00 0.00 C ATOM 432 C SER A 32 10.282 -2.376 11.527 1.00 0.00 C ATOM 433 O SER A 32 11.305 -1.698 11.462 1.00 0.00 O ATOM 434 CB SER A 32 9.784 -4.644 12.483 1.00 0.00 C ATOM 435 OG SER A 32 11.035 -5.325 12.457 1.00 0.00 O ATOM 0 H SER A 32 7.933 -2.578 12.795 1.00 0.00 H new ATOM 0 HA SER A 32 10.768 -3.051 13.509 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.136 -5.105 13.229 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.290 -4.757 11.518 1.00 0.00 H new ATOM 0 HG SER A 32 10.888 -6.272 12.253 1.00 0.00 H new ATOM 441 N ALA A 33 9.399 -2.499 10.547 1.00 0.00 N ATOM 442 CA ALA A 33 9.588 -1.813 9.280 1.00 0.00 C ATOM 443 C ALA A 33 8.661 -0.597 9.219 1.00 0.00 C ATOM 444 O ALA A 33 7.904 -0.342 10.155 1.00 0.00 O ATOM 445 CB ALA A 33 9.343 -2.791 8.129 1.00 0.00 C ATOM 0 H ALA A 33 8.551 -3.063 10.605 1.00 0.00 H new ATOM 0 HA ALA A 33 10.612 -1.451 9.189 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.485 -2.277 7.178 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.046 -3.621 8.201 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.324 -3.173 8.187 1.00 0.00 H new ATOM 451 N HIS A 34 8.752 0.121 8.110 1.00 0.00 N ATOM 452 CA HIS A 34 7.931 1.304 7.915 1.00 0.00 C ATOM 453 C HIS A 34 7.491 1.388 6.452 1.00 0.00 C ATOM 454 O HIS A 34 8.020 0.679 5.599 1.00 0.00 O ATOM 455 CB HIS A 34 8.668 2.560 8.386 1.00 0.00 C ATOM 456 CG HIS A 34 10.070 2.690 7.841 1.00 0.00 C ATOM 457 ND1 HIS A 34 10.537 3.314 6.722 1.00 0.00 N flip ATOM 458 CD2 HIS A 34 11.172 2.136 8.468 1.00 0.00 C flip ATOM 459 CE1 HIS A 34 11.854 3.152 6.670 1.00 0.00 C flip ATOM 460 NE2 HIS A 34 12.249 2.422 7.751 1.00 0.00 N flip ATOM 0 H HIS A 34 9.382 -0.093 7.337 1.00 0.00 H new ATOM 0 HA HIS A 34 7.031 1.231 8.525 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.092 3.438 8.093 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.711 2.556 9.475 1.00 0.00 H new ATOM 0 HD1 HIS A 34 9.971 3.819 6.041 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.157 1.567 9.386 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.505 3.536 5.898 1.00 0.00 H new ATOM 468 N VAL A 35 6.525 2.262 6.208 1.00 0.00 N ATOM 469 CA VAL A 35 6.007 2.448 4.863 1.00 0.00 C ATOM 470 C VAL A 35 7.124 2.976 3.960 1.00 0.00 C ATOM 471 O VAL A 35 8.108 3.534 4.444 1.00 0.00 O ATOM 472 CB VAL A 35 4.782 3.364 4.896 1.00 0.00 C ATOM 473 CG1 VAL A 35 4.521 3.880 6.313 1.00 0.00 C ATOM 474 CG2 VAL A 35 4.937 4.524 3.910 1.00 0.00 C ATOM 0 H VAL A 35 6.088 2.849 6.919 1.00 0.00 H new ATOM 0 HA VAL A 35 5.674 1.497 4.447 1.00 0.00 H new ATOM 0 HB VAL A 35 3.917 2.777 4.588 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.645 4.529 6.308 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.345 3.037 6.981 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.387 4.443 6.661 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.052 5.159 3.954 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.818 5.110 4.173 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.051 4.130 2.900 1.00 0.00 H new ATOM 484 N LEU A 36 6.934 2.782 2.663 1.00 0.00 N ATOM 485 CA LEU A 36 7.913 3.232 1.688 1.00 0.00 C ATOM 486 C LEU A 36 7.589 4.668 1.272 1.00 0.00 C ATOM 487 O LEU A 36 6.486 4.950 0.806 1.00 0.00 O ATOM 488 CB LEU A 36 7.987 2.254 0.514 1.00 0.00 C ATOM 489 CG LEU A 36 9.225 2.370 -0.379 1.00 0.00 C ATOM 490 CD1 LEU A 36 8.889 3.081 -1.691 1.00 0.00 C ATOM 491 CD2 LEU A 36 10.375 3.053 0.365 1.00 0.00 C ATOM 0 H LEU A 36 6.117 2.319 2.265 1.00 0.00 H new ATOM 0 HA LEU A 36 8.911 3.244 2.127 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.942 1.239 0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.102 2.394 -0.106 1.00 0.00 H new ATOM 0 HG LEU A 36 9.559 1.364 -0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.785 3.150 -2.307 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.124 2.517 -2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.517 4.083 -1.477 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.242 3.123 -0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.068 4.054 0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.635 2.469 1.248 1.00 0.00 H new ATOM 503 N GLU A 37 8.571 5.539 1.455 1.00 0.00 N ATOM 504 CA GLU A 37 8.404 6.939 1.104 1.00 0.00 C ATOM 505 C GLU A 37 9.307 7.302 -0.077 1.00 0.00 C ATOM 506 O GLU A 37 10.462 6.883 -0.131 1.00 0.00 O ATOM 507 CB GLU A 37 8.685 7.843 2.307 1.00 0.00 C ATOM 508 CG GLU A 37 7.401 8.134 3.085 1.00 0.00 C ATOM 509 CD GLU A 37 7.661 8.133 4.593 1.00 0.00 C ATOM 510 OE1 GLU A 37 8.138 9.178 5.087 1.00 0.00 O ATOM 511 OE2 GLU A 37 7.378 7.088 5.217 1.00 0.00 O ATOM 0 H GLU A 37 9.485 5.302 1.842 1.00 0.00 H new ATOM 0 HA GLU A 37 7.368 7.097 0.806 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.412 7.365 2.964 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.129 8.779 1.967 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.999 9.101 2.782 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.647 7.386 2.842 1.00 0.00 H new ATOM 518 N LYS A 38 8.746 8.077 -0.993 1.00 0.00 N ATOM 519 CA LYS A 38 9.486 8.500 -2.170 1.00 0.00 C ATOM 520 C LYS A 38 8.949 9.852 -2.645 1.00 0.00 C ATOM 521 O LYS A 38 7.770 10.153 -2.466 1.00 0.00 O ATOM 522 CB LYS A 38 9.451 7.412 -3.245 1.00 0.00 C ATOM 523 CG LYS A 38 10.820 6.743 -3.392 1.00 0.00 C ATOM 524 CD LYS A 38 10.707 5.428 -4.165 1.00 0.00 C ATOM 525 CE LYS A 38 11.806 5.318 -5.224 1.00 0.00 C ATOM 526 NZ LYS A 38 11.902 6.572 -6.004 1.00 0.00 N ATOM 0 H LYS A 38 7.788 8.423 -0.944 1.00 0.00 H new ATOM 0 HA LYS A 38 10.539 8.642 -1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.702 6.663 -2.986 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.150 7.847 -4.198 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.504 7.416 -3.910 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.244 6.554 -2.406 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.778 4.588 -3.474 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.729 5.366 -4.643 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.762 5.107 -4.744 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.594 4.483 -5.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.212 6.355 -6.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.971 7.035 -6.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.591 7.209 -5.554 1.00 0.00 H new ATOM 540 N GLY A 39 9.840 10.629 -3.243 1.00 0.00 N ATOM 541 CA GLY A 39 9.470 11.942 -3.745 1.00 0.00 C ATOM 542 C GLY A 39 8.501 12.641 -2.791 1.00 0.00 C ATOM 543 O GLY A 39 7.452 13.128 -3.211 1.00 0.00 O ATOM 0 H GLY A 39 10.817 10.375 -3.391 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.364 12.552 -3.872 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.010 11.843 -4.728 1.00 0.00 H new ATOM 547 N GLY A 40 8.885 12.669 -1.523 1.00 0.00 N ATOM 548 CA GLY A 40 8.063 13.301 -0.505 1.00 0.00 C ATOM 549 C GLY A 40 6.633 12.760 -0.542 1.00 0.00 C ATOM 550 O GLY A 40 5.676 13.510 -0.352 1.00 0.00 O ATOM 0 H GLY A 40 9.755 12.264 -1.177 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.497 13.125 0.479 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.052 14.380 -0.660 1.00 0.00 H new ATOM 554 N LYS A 41 6.531 11.462 -0.787 1.00 0.00 N ATOM 555 CA LYS A 41 5.233 10.812 -0.851 1.00 0.00 C ATOM 556 C LYS A 41 5.274 9.520 -0.033 1.00 0.00 C ATOM 557 O LYS A 41 6.300 8.843 0.014 1.00 0.00 O ATOM 558 CB LYS A 41 4.809 10.605 -2.306 1.00 0.00 C ATOM 559 CG LYS A 41 4.378 11.927 -2.945 1.00 0.00 C ATOM 560 CD LYS A 41 2.870 12.140 -2.800 1.00 0.00 C ATOM 561 CE LYS A 41 2.147 11.850 -4.117 1.00 0.00 C ATOM 562 NZ LYS A 41 1.080 12.848 -4.354 1.00 0.00 N ATOM 0 H LYS A 41 7.326 10.843 -0.944 1.00 0.00 H new ATOM 0 HA LYS A 41 4.466 11.447 -0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.636 10.176 -2.872 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.987 9.890 -2.351 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.912 12.753 -2.476 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.650 11.930 -4.001 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.481 11.490 -2.016 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.672 13.166 -2.490 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.860 11.868 -4.941 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.717 10.849 -4.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.600 12.636 -5.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.391 12.811 -3.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.498 13.799 -4.401 1.00 0.00 H new ATOM 576 N VAL A 42 4.146 9.217 0.592 1.00 0.00 N ATOM 577 CA VAL A 42 4.040 8.018 1.406 1.00 0.00 C ATOM 578 C VAL A 42 3.215 6.969 0.657 1.00 0.00 C ATOM 579 O VAL A 42 2.199 7.295 0.046 1.00 0.00 O ATOM 580 CB VAL A 42 3.459 8.366 2.778 1.00 0.00 C ATOM 581 CG1 VAL A 42 2.806 7.143 3.424 1.00 0.00 C ATOM 582 CG2 VAL A 42 4.532 8.962 3.692 1.00 0.00 C ATOM 0 H VAL A 42 3.297 9.781 0.551 1.00 0.00 H new ATOM 0 HA VAL A 42 5.026 7.590 1.584 1.00 0.00 H new ATOM 0 HB VAL A 42 2.686 9.120 2.633 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.401 7.418 4.398 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.000 6.781 2.785 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.550 6.357 3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.093 9.201 4.661 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.337 8.240 3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.931 9.871 3.241 1.00 0.00 H new ATOM 592 N PHE A 43 3.684 5.732 0.729 1.00 0.00 N ATOM 593 CA PHE A 43 3.002 4.634 0.065 1.00 0.00 C ATOM 594 C PHE A 43 1.867 4.088 0.934 1.00 0.00 C ATOM 595 O PHE A 43 1.659 2.877 1.000 1.00 0.00 O ATOM 596 CB PHE A 43 4.039 3.530 -0.151 1.00 0.00 C ATOM 597 CG PHE A 43 4.918 3.735 -1.387 1.00 0.00 C ATOM 598 CD1 PHE A 43 5.520 4.936 -1.601 1.00 0.00 C ATOM 599 CD2 PHE A 43 5.099 2.717 -2.270 1.00 0.00 C ATOM 600 CE1 PHE A 43 6.336 5.127 -2.747 1.00 0.00 C ATOM 601 CE2 PHE A 43 5.915 2.908 -3.417 1.00 0.00 C ATOM 602 CZ PHE A 43 6.516 4.109 -3.631 1.00 0.00 C ATOM 0 H PHE A 43 4.528 5.466 1.237 1.00 0.00 H new ATOM 0 HA PHE A 43 2.571 4.977 -0.875 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.678 3.468 0.730 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.524 2.574 -0.239 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.377 5.744 -0.899 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.622 1.763 -2.099 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.814 6.081 -2.917 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.058 2.100 -4.119 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.136 4.255 -4.503 1.00 0.00 H new ATOM 612 N SER A 44 1.163 5.007 1.578 1.00 0.00 N ATOM 613 CA SER A 44 0.055 4.633 2.440 1.00 0.00 C ATOM 614 C SER A 44 -1.250 5.223 1.900 1.00 0.00 C ATOM 615 O SER A 44 -1.558 6.387 2.151 1.00 0.00 O ATOM 616 CB SER A 44 0.293 5.098 3.878 1.00 0.00 C ATOM 617 OG SER A 44 -0.501 4.372 4.812 1.00 0.00 O ATOM 0 H SER A 44 1.338 6.010 1.520 1.00 0.00 H new ATOM 0 HA SER A 44 -0.020 3.546 2.447 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.347 4.978 4.128 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.065 6.161 3.958 1.00 0.00 H new ATOM 0 HG SER A 44 -0.331 4.708 5.717 1.00 0.00 H new ATOM 623 N ALA A 45 -1.980 4.394 1.170 1.00 0.00 N ATOM 624 CA ALA A 45 -3.244 4.820 0.593 1.00 0.00 C ATOM 625 C ALA A 45 -4.377 3.972 1.176 1.00 0.00 C ATOM 626 O ALA A 45 -4.239 2.758 1.318 1.00 0.00 O ATOM 627 CB ALA A 45 -3.168 4.722 -0.932 1.00 0.00 C ATOM 0 H ALA A 45 -1.721 3.429 0.964 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.449 5.861 0.843 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.116 5.041 -1.365 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.367 5.364 -1.298 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.967 3.690 -1.221 1.00 0.00 H new ATOM 633 N THR A 46 -5.471 4.646 1.498 1.00 0.00 N ATOM 634 CA THR A 46 -6.627 3.970 2.062 1.00 0.00 C ATOM 635 C THR A 46 -7.805 4.025 1.087 1.00 0.00 C ATOM 636 O THR A 46 -8.506 5.033 1.011 1.00 0.00 O ATOM 637 CB THR A 46 -6.931 4.606 3.419 1.00 0.00 C ATOM 638 OG1 THR A 46 -5.770 4.332 4.199 1.00 0.00 O ATOM 639 CG2 THR A 46 -8.058 3.888 4.164 1.00 0.00 C ATOM 0 H THR A 46 -5.581 5.653 1.379 1.00 0.00 H new ATOM 0 HA THR A 46 -6.427 2.910 2.221 1.00 0.00 H new ATOM 0 HB THR A 46 -7.200 5.653 3.276 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.881 4.711 5.096 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.233 4.380 5.121 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.969 3.922 3.566 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.776 2.849 4.336 1.00 0.00 H new ATOM 647 N LEU A 47 -7.988 2.928 0.367 1.00 0.00 N ATOM 648 CA LEU A 47 -9.069 2.839 -0.599 1.00 0.00 C ATOM 649 C LEU A 47 -10.365 2.464 0.124 1.00 0.00 C ATOM 650 O LEU A 47 -10.329 1.884 1.208 1.00 0.00 O ATOM 651 CB LEU A 47 -8.698 1.879 -1.732 1.00 0.00 C ATOM 652 CG LEU A 47 -8.223 2.528 -3.033 1.00 0.00 C ATOM 653 CD1 LEU A 47 -7.584 3.892 -2.763 1.00 0.00 C ATOM 654 CD2 LEU A 47 -7.282 1.596 -3.799 1.00 0.00 C ATOM 0 H LEU A 47 -7.406 2.093 0.433 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.236 3.806 -1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.913 1.212 -1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.566 1.259 -1.955 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.093 2.699 -3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.255 4.332 -3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.315 4.549 -2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.727 3.768 -2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.959 2.082 -4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.411 1.371 -3.183 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.804 0.670 -4.041 1.00 0.00 H new ATOM 666 N GLY A 48 -11.478 2.813 -0.504 1.00 0.00 N ATOM 667 CA GLY A 48 -12.782 2.521 0.066 1.00 0.00 C ATOM 668 C GLY A 48 -13.847 2.417 -1.027 1.00 0.00 C ATOM 669 O GLY A 48 -14.146 3.399 -1.704 1.00 0.00 O ATOM 0 H GLY A 48 -11.504 3.295 -1.402 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -12.737 1.587 0.625 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -13.057 3.303 0.774 1.00 0.00 H new ATOM 673 N LEU A 49 -14.391 1.216 -1.166 1.00 0.00 N ATOM 674 CA LEU A 49 -15.417 0.971 -2.165 1.00 0.00 C ATOM 675 C LEU A 49 -16.658 0.389 -1.484 1.00 0.00 C ATOM 676 O LEU A 49 -16.545 -0.473 -0.613 1.00 0.00 O ATOM 677 CB LEU A 49 -14.868 0.096 -3.293 1.00 0.00 C ATOM 678 CG LEU A 49 -15.768 -0.059 -4.521 1.00 0.00 C ATOM 679 CD1 LEU A 49 -16.888 -1.066 -4.255 1.00 0.00 C ATOM 680 CD2 LEU A 49 -16.311 1.296 -4.977 1.00 0.00 C ATOM 0 H LEU A 49 -14.140 0.403 -0.603 1.00 0.00 H new ATOM 0 HA LEU A 49 -15.720 1.906 -2.636 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -13.914 0.512 -3.617 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -14.663 -0.896 -2.890 1.00 0.00 H new ATOM 0 HG LEU A 49 -15.166 -0.456 -5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -17.513 -1.158 -5.143 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -16.455 -2.037 -4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -17.495 -0.722 -3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -16.947 1.157 -5.851 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -16.893 1.744 -4.172 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -15.480 1.953 -5.234 1.00 0.00 H new ATOM 692 N VAL A 50 -17.812 0.883 -1.906 1.00 0.00 N ATOM 693 CA VAL A 50 -19.072 0.423 -1.348 1.00 0.00 C ATOM 694 C VAL A 50 -20.142 0.428 -2.442 1.00 0.00 C ATOM 695 O VAL A 50 -20.189 1.342 -3.264 1.00 0.00 O ATOM 696 CB VAL A 50 -19.451 1.277 -0.137 1.00 0.00 C ATOM 697 CG1 VAL A 50 -18.803 2.661 -0.218 1.00 0.00 C ATOM 698 CG2 VAL A 50 -20.970 1.390 0.001 1.00 0.00 C ATOM 0 H VAL A 50 -17.901 1.598 -2.628 1.00 0.00 H new ATOM 0 HA VAL A 50 -18.979 -0.602 -0.989 1.00 0.00 H new ATOM 0 HB VAL A 50 -19.070 0.780 0.755 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -19.089 3.248 0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -17.719 2.554 -0.244 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -19.140 3.168 -1.122 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -21.212 2.002 0.870 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -21.383 1.852 -0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -21.399 0.396 0.127 1.00 0.00 H new ATOM 708 N ASP A 51 -20.975 -0.602 -2.416 1.00 0.00 N ATOM 709 CA ASP A 51 -22.041 -0.727 -3.395 1.00 0.00 C ATOM 710 C ASP A 51 -23.319 -0.099 -2.834 1.00 0.00 C ATOM 711 O ASP A 51 -23.633 -0.270 -1.657 1.00 0.00 O ATOM 712 CB ASP A 51 -22.333 -2.196 -3.706 1.00 0.00 C ATOM 713 CG ASP A 51 -21.974 -2.640 -5.125 1.00 0.00 C ATOM 714 OD1 ASP A 51 -22.598 -2.101 -6.064 1.00 0.00 O ATOM 715 OD2 ASP A 51 -21.082 -3.509 -5.239 1.00 0.00 O ATOM 0 H ASP A 51 -20.933 -1.358 -1.732 1.00 0.00 H new ATOM 0 HA ASP A 51 -21.723 -0.222 -4.307 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -21.785 -2.818 -2.998 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -23.394 -2.383 -3.540 1.00 0.00 H new ATOM 720 N ILE A 52 -24.020 0.613 -3.703 1.00 0.00 N ATOM 721 CA ILE A 52 -25.257 1.267 -3.309 1.00 0.00 C ATOM 722 C ILE A 52 -26.438 0.347 -3.623 1.00 0.00 C ATOM 723 O ILE A 52 -27.433 0.340 -2.900 1.00 0.00 O ATOM 724 CB ILE A 52 -25.363 2.648 -3.960 1.00 0.00 C ATOM 725 CG1 ILE A 52 -26.642 3.364 -3.521 1.00 0.00 C ATOM 726 CG2 ILE A 52 -25.258 2.546 -5.483 1.00 0.00 C ATOM 727 CD1 ILE A 52 -26.368 4.837 -3.213 1.00 0.00 C ATOM 0 H ILE A 52 -23.756 0.752 -4.678 1.00 0.00 H new ATOM 0 HA ILE A 52 -25.268 1.445 -2.234 1.00 0.00 H new ATOM 0 HB ILE A 52 -24.522 3.252 -3.619 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -27.394 3.287 -4.306 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -27.052 2.874 -2.638 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -25.336 3.541 -5.921 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -24.298 2.106 -5.753 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -26.065 1.918 -5.862 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -27.294 5.322 -2.903 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -25.634 4.910 -2.411 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -25.981 5.329 -4.105 1.00 0.00 H new ATOM 739 N VAL A 53 -26.289 -0.408 -4.702 1.00 0.00 N ATOM 740 CA VAL A 53 -27.331 -1.330 -5.120 1.00 0.00 C ATOM 741 C VAL A 53 -27.196 -2.635 -4.333 1.00 0.00 C ATOM 742 O VAL A 53 -28.155 -3.091 -3.712 1.00 0.00 O ATOM 743 CB VAL A 53 -27.270 -1.536 -6.635 1.00 0.00 C ATOM 744 CG1 VAL A 53 -27.371 -0.201 -7.375 1.00 0.00 C ATOM 745 CG2 VAL A 53 -26.000 -2.290 -7.035 1.00 0.00 C ATOM 0 H VAL A 53 -25.462 -0.400 -5.299 1.00 0.00 H new ATOM 0 HA VAL A 53 -28.316 -0.919 -4.901 1.00 0.00 H new ATOM 0 HB VAL A 53 -28.127 -2.145 -6.925 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -27.325 -0.376 -8.450 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -28.316 0.282 -7.126 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -26.544 0.444 -7.077 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -25.981 -2.423 -8.117 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -25.125 -1.719 -6.725 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -25.988 -3.266 -6.549 1.00 0.00 H new ATOM 755 N LYS A 54 -25.999 -3.200 -4.386 1.00 0.00 N ATOM 756 CA LYS A 54 -25.727 -4.444 -3.685 1.00 0.00 C ATOM 757 C LYS A 54 -25.722 -4.184 -2.177 1.00 0.00 C ATOM 758 O LYS A 54 -25.733 -5.123 -1.383 1.00 0.00 O ATOM 759 CB LYS A 54 -24.436 -5.079 -4.204 1.00 0.00 C ATOM 760 CG LYS A 54 -24.656 -5.730 -5.572 1.00 0.00 C ATOM 761 CD LYS A 54 -25.301 -7.109 -5.425 1.00 0.00 C ATOM 762 CE LYS A 54 -26.826 -7.012 -5.510 1.00 0.00 C ATOM 763 NZ LYS A 54 -27.333 -7.804 -6.653 1.00 0.00 N ATOM 0 H LYS A 54 -25.206 -2.820 -4.903 1.00 0.00 H new ATOM 0 HA LYS A 54 -26.514 -5.172 -3.880 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -23.658 -4.319 -4.280 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -24.083 -5.827 -3.494 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -25.291 -5.091 -6.185 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -23.702 -5.824 -6.092 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -24.931 -7.773 -6.206 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -25.013 -7.549 -4.470 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -27.271 -7.374 -4.583 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -27.124 -5.970 -5.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -28.369 -7.727 -6.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -26.922 -7.441 -7.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -27.065 -8.801 -6.531 1.00 0.00 H new ATOM 777 N GLY A 55 -25.705 -2.906 -1.829 1.00 0.00 N ATOM 778 CA GLY A 55 -25.699 -2.512 -0.431 1.00 0.00 C ATOM 779 C GLY A 55 -24.555 -3.192 0.325 1.00 0.00 C ATOM 780 O GLY A 55 -24.703 -3.544 1.495 1.00 0.00 O ATOM 0 H GLY A 55 -25.695 -2.130 -2.491 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -25.597 -1.429 -0.355 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -26.651 -2.776 0.029 1.00 0.00 H new ATOM 784 N THR A 56 -23.442 -3.356 -0.373 1.00 0.00 N ATOM 785 CA THR A 56 -22.274 -3.988 0.218 1.00 0.00 C ATOM 786 C THR A 56 -21.097 -3.010 0.248 1.00 0.00 C ATOM 787 O THR A 56 -20.635 -2.556 -0.797 1.00 0.00 O ATOM 788 CB THR A 56 -21.980 -5.267 -0.568 1.00 0.00 C ATOM 789 OG1 THR A 56 -22.062 -4.864 -1.932 1.00 0.00 O ATOM 790 CG2 THR A 56 -23.089 -6.312 -0.421 1.00 0.00 C ATOM 0 H THR A 56 -23.323 -3.062 -1.343 1.00 0.00 H new ATOM 0 HA THR A 56 -22.456 -4.262 1.257 1.00 0.00 H new ATOM 0 HB THR A 56 -21.034 -5.691 -0.231 1.00 0.00 H new ATOM 0 HG1 THR A 56 -21.883 -5.633 -2.512 1.00 0.00 H new ATOM 0 HG21 THR A 56 -22.831 -7.200 -0.998 1.00 0.00 H new ATOM 0 HG22 THR A 56 -23.198 -6.581 0.630 1.00 0.00 H new ATOM 0 HG23 THR A 56 -24.028 -5.900 -0.790 1.00 0.00 H new ATOM 798 N ASN A 57 -20.646 -2.715 1.459 1.00 0.00 N ATOM 799 CA ASN A 57 -19.532 -1.800 1.640 1.00 0.00 C ATOM 800 C ASN A 57 -18.222 -2.589 1.623 1.00 0.00 C ATOM 801 O ASN A 57 -18.206 -3.779 1.932 1.00 0.00 O ATOM 802 CB ASN A 57 -19.630 -1.072 2.982 1.00 0.00 C ATOM 803 CG ASN A 57 -20.936 -0.282 3.085 1.00 0.00 C ATOM 804 OD1 ASN A 57 -21.958 -0.649 2.529 1.00 0.00 O ATOM 805 ND2 ASN A 57 -20.845 0.819 3.824 1.00 0.00 N ATOM 0 H ASN A 57 -21.032 -3.094 2.324 1.00 0.00 H new ATOM 0 HA ASN A 57 -19.560 -1.070 0.831 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -19.573 -1.794 3.796 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -18.782 -0.396 3.096 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -21.662 1.415 3.954 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -19.958 1.068 4.262 1.00 0.00 H new ATOM 812 N SER A 58 -17.154 -1.893 1.261 1.00 0.00 N ATOM 813 CA SER A 58 -15.842 -2.514 1.200 1.00 0.00 C ATOM 814 C SER A 58 -14.755 -1.466 1.447 1.00 0.00 C ATOM 815 O SER A 58 -14.994 -0.270 1.288 1.00 0.00 O ATOM 816 CB SER A 58 -15.619 -3.202 -0.149 1.00 0.00 C ATOM 817 OG SER A 58 -16.683 -4.091 -0.476 1.00 0.00 O ATOM 0 H SER A 58 -17.171 -0.905 1.007 1.00 0.00 H new ATOM 0 HA SER A 58 -15.788 -3.275 1.978 1.00 0.00 H new ATOM 0 HB2 SER A 58 -15.524 -2.447 -0.930 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.680 -3.754 -0.124 1.00 0.00 H new ATOM 0 HG SER A 58 -16.505 -4.509 -1.344 1.00 0.00 H new ATOM 823 N TYR A 59 -13.584 -1.953 1.831 1.00 0.00 N ATOM 824 CA TYR A 59 -12.460 -1.073 2.101 1.00 0.00 C ATOM 825 C TYR A 59 -11.132 -1.776 1.816 1.00 0.00 C ATOM 826 O TYR A 59 -10.881 -2.868 2.325 1.00 0.00 O ATOM 827 CB TYR A 59 -12.536 -0.738 3.592 1.00 0.00 C ATOM 828 CG TYR A 59 -12.063 -1.869 4.509 1.00 0.00 C ATOM 829 CD1 TYR A 59 -10.734 -1.954 4.871 1.00 0.00 C ATOM 830 CD2 TYR A 59 -12.966 -2.803 4.973 1.00 0.00 C ATOM 831 CE1 TYR A 59 -10.290 -3.018 5.734 1.00 0.00 C ATOM 832 CE2 TYR A 59 -12.522 -3.867 5.835 1.00 0.00 C ATOM 833 CZ TYR A 59 -11.206 -3.922 6.173 1.00 0.00 C ATOM 834 OH TYR A 59 -10.786 -4.927 6.988 1.00 0.00 O ATOM 0 H TYR A 59 -13.389 -2.946 1.962 1.00 0.00 H new ATOM 0 HA TYR A 59 -12.507 -0.186 1.470 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.933 0.149 3.786 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -13.566 -0.485 3.845 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.027 -1.223 4.507 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -14.006 -2.736 4.690 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.253 -3.096 6.026 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -13.218 -4.605 6.205 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.548 -5.497 7.224 1.00 0.00 H new ATOM 844 N TYR A 60 -10.316 -1.122 1.002 1.00 0.00 N ATOM 845 CA TYR A 60 -9.019 -1.672 0.642 1.00 0.00 C ATOM 846 C TYR A 60 -7.886 -0.776 1.146 1.00 0.00 C ATOM 847 O TYR A 60 -7.874 0.425 0.880 1.00 0.00 O ATOM 848 CB TYR A 60 -8.985 -1.706 -0.887 1.00 0.00 C ATOM 849 CG TYR A 60 -7.741 -2.382 -1.467 1.00 0.00 C ATOM 850 CD1 TYR A 60 -6.585 -1.653 -1.657 1.00 0.00 C ATOM 851 CD2 TYR A 60 -7.775 -3.721 -1.800 1.00 0.00 C ATOM 852 CE1 TYR A 60 -5.414 -2.289 -2.203 1.00 0.00 C ATOM 853 CE2 TYR A 60 -6.605 -4.357 -2.345 1.00 0.00 C ATOM 854 CZ TYR A 60 -5.482 -3.610 -2.520 1.00 0.00 C ATOM 855 OH TYR A 60 -4.376 -4.211 -3.035 1.00 0.00 O ATOM 0 H TYR A 60 -10.527 -0.217 0.582 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.884 -2.659 1.085 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -9.871 -2.228 -1.248 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.040 -0.685 -1.264 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.558 -0.605 -1.396 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -8.680 -4.291 -1.651 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.503 -1.730 -2.357 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.618 -5.404 -2.609 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.570 -5.155 -3.213 1.00 0.00 H new ATOM 865 N LYS A 61 -6.960 -1.395 1.864 1.00 0.00 N ATOM 866 CA LYS A 61 -5.824 -0.669 2.406 1.00 0.00 C ATOM 867 C LYS A 61 -4.540 -1.170 1.743 1.00 0.00 C ATOM 868 O LYS A 61 -4.388 -2.366 1.500 1.00 0.00 O ATOM 869 CB LYS A 61 -5.806 -0.767 3.933 1.00 0.00 C ATOM 870 CG LYS A 61 -5.890 0.621 4.573 1.00 0.00 C ATOM 871 CD LYS A 61 -4.582 1.391 4.386 1.00 0.00 C ATOM 872 CE LYS A 61 -3.856 1.571 5.720 1.00 0.00 C ATOM 873 NZ LYS A 61 -3.200 0.308 6.128 1.00 0.00 N ATOM 0 H LYS A 61 -6.973 -2.391 2.083 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.907 0.394 2.178 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.642 -1.379 4.272 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.893 -1.267 4.258 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.713 1.181 4.128 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.109 0.522 5.636 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.938 0.857 3.687 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.790 2.367 3.947 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.112 2.362 5.632 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.564 1.884 6.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.630 -0.038 7.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.323 -0.404 5.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.185 0.478 6.281 1.00 0.00 H new ATOM 887 N LEU A 62 -3.648 -0.229 1.468 1.00 0.00 N ATOM 888 CA LEU A 62 -2.381 -0.560 0.838 1.00 0.00 C ATOM 889 C LEU A 62 -1.258 0.229 1.514 1.00 0.00 C ATOM 890 O LEU A 62 -1.354 1.446 1.666 1.00 0.00 O ATOM 891 CB LEU A 62 -2.462 -0.341 -0.674 1.00 0.00 C ATOM 892 CG LEU A 62 -1.461 -1.129 -1.521 1.00 0.00 C ATOM 893 CD1 LEU A 62 -1.971 -2.546 -1.796 1.00 0.00 C ATOM 894 CD2 LEU A 62 -1.125 -0.381 -2.812 1.00 0.00 C ATOM 0 H LEU A 62 -3.778 0.762 1.670 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.153 -1.617 0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.468 -0.597 -1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.321 0.721 -0.875 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.535 -1.224 -0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.241 -3.085 -2.400 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.118 -3.070 -0.851 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.918 -2.494 -2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.412 -0.964 -3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.035 -0.233 -3.394 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.689 0.588 -2.568 1.00 0.00 H new ATOM 906 N GLN A 63 -0.220 -0.496 1.902 1.00 0.00 N ATOM 907 CA GLN A 63 0.920 0.121 2.559 1.00 0.00 C ATOM 908 C GLN A 63 2.199 -0.660 2.248 1.00 0.00 C ATOM 909 O GLN A 63 2.359 -1.796 2.691 1.00 0.00 O ATOM 910 CB GLN A 63 0.694 0.224 4.068 1.00 0.00 C ATOM 911 CG GLN A 63 -0.364 1.281 4.393 1.00 0.00 C ATOM 912 CD GLN A 63 -0.059 1.971 5.724 1.00 0.00 C ATOM 913 OE1 GLN A 63 -0.825 1.917 6.671 1.00 0.00 O ATOM 914 NE2 GLN A 63 1.101 2.622 5.742 1.00 0.00 N ATOM 0 H GLN A 63 -0.144 -1.505 1.774 1.00 0.00 H new ATOM 0 HA GLN A 63 1.033 1.134 2.172 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.379 -0.743 4.459 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.631 0.478 4.563 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.400 2.022 3.595 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.348 0.814 4.438 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.696 2.627 4.913 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.396 3.116 6.584 1.00 0.00 H new ATOM 923 N LEU A 64 3.075 -0.020 1.488 1.00 0.00 N ATOM 924 CA LEU A 64 4.334 -0.641 1.113 1.00 0.00 C ATOM 925 C LEU A 64 5.360 -0.417 2.226 1.00 0.00 C ATOM 926 O LEU A 64 5.884 0.686 2.379 1.00 0.00 O ATOM 927 CB LEU A 64 4.793 -0.138 -0.257 1.00 0.00 C ATOM 928 CG LEU A 64 5.743 -1.058 -1.026 1.00 0.00 C ATOM 929 CD1 LEU A 64 5.877 -0.613 -2.484 1.00 0.00 C ATOM 930 CD2 LEU A 64 7.102 -1.149 -0.328 1.00 0.00 C ATOM 0 H LEU A 64 2.938 0.922 1.122 1.00 0.00 H new ATOM 0 HA LEU A 64 4.210 -1.719 1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.910 0.036 -0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.283 0.826 -0.122 1.00 0.00 H new ATOM 0 HG LEU A 64 5.316 -2.061 -1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.558 -1.284 -3.008 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.899 -0.641 -2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.270 0.403 -2.520 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.759 -1.809 -0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.548 -0.156 -0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.968 -1.547 0.678 1.00 0.00 H new ATOM 942 N LEU A 65 5.616 -1.480 2.975 1.00 0.00 N ATOM 943 CA LEU A 65 6.570 -1.412 4.069 1.00 0.00 C ATOM 944 C LEU A 65 7.970 -1.729 3.540 1.00 0.00 C ATOM 945 O LEU A 65 8.125 -2.550 2.637 1.00 0.00 O ATOM 946 CB LEU A 65 6.129 -2.318 5.221 1.00 0.00 C ATOM 947 CG LEU A 65 4.675 -2.168 5.673 1.00 0.00 C ATOM 948 CD1 LEU A 65 4.425 -2.930 6.976 1.00 0.00 C ATOM 949 CD2 LEU A 65 4.286 -0.693 5.788 1.00 0.00 C ATOM 0 H LEU A 65 5.179 -2.393 2.846 1.00 0.00 H new ATOM 0 HA LEU A 65 6.605 -0.404 4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.292 -3.354 4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.776 -2.126 6.077 1.00 0.00 H new ATOM 0 HG LEU A 65 4.033 -2.612 4.912 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.384 -2.807 7.275 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.637 -3.989 6.825 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.076 -2.538 7.757 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.248 -0.615 6.111 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.931 -0.202 6.517 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.402 -0.209 4.818 1.00 0.00 H new ATOM 961 N GLU A 66 8.953 -1.060 4.123 1.00 0.00 N ATOM 962 CA GLU A 66 10.335 -1.259 3.721 1.00 0.00 C ATOM 963 C GLU A 66 11.197 -1.606 4.937 1.00 0.00 C ATOM 964 O GLU A 66 11.365 -0.786 5.838 1.00 0.00 O ATOM 965 CB GLU A 66 10.880 -0.025 2.998 1.00 0.00 C ATOM 966 CG GLU A 66 12.409 -0.036 2.972 1.00 0.00 C ATOM 967 CD GLU A 66 12.955 1.227 2.302 1.00 0.00 C ATOM 968 OE1 GLU A 66 12.334 2.292 2.508 1.00 0.00 O ATOM 969 OE2 GLU A 66 13.980 1.099 1.598 1.00 0.00 O ATOM 0 H GLU A 66 8.820 -0.379 4.871 1.00 0.00 H new ATOM 0 HA GLU A 66 10.372 -2.095 3.022 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.496 0.003 1.978 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.528 0.878 3.496 1.00 0.00 H new ATOM 0 HG2 GLU A 66 12.793 -0.107 3.990 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.761 -0.917 2.436 1.00 0.00 H new ATOM 976 N ASP A 67 11.720 -2.823 4.924 1.00 0.00 N ATOM 977 CA ASP A 67 12.560 -3.289 6.014 1.00 0.00 C ATOM 978 C ASP A 67 13.785 -2.381 6.132 1.00 0.00 C ATOM 979 O ASP A 67 14.515 -2.187 5.161 1.00 0.00 O ATOM 980 CB ASP A 67 13.052 -4.716 5.760 1.00 0.00 C ATOM 981 CG ASP A 67 13.122 -5.606 7.002 1.00 0.00 C ATOM 982 OD1 ASP A 67 12.513 -5.211 8.019 1.00 0.00 O ATOM 983 OD2 ASP A 67 13.783 -6.663 6.906 1.00 0.00 O ATOM 0 H ASP A 67 11.578 -3.501 4.175 1.00 0.00 H new ATOM 0 HA ASP A 67 11.967 -3.270 6.928 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.393 -5.187 5.031 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.043 -4.668 5.310 1.00 0.00 H new ATOM 988 N ASP A 68 13.973 -1.847 7.330 1.00 0.00 N ATOM 989 CA ASP A 68 15.098 -0.964 7.588 1.00 0.00 C ATOM 990 C ASP A 68 16.279 -1.787 8.106 1.00 0.00 C ATOM 991 O ASP A 68 16.832 -1.489 9.163 1.00 0.00 O ATOM 992 CB ASP A 68 14.746 0.079 8.651 1.00 0.00 C ATOM 993 CG ASP A 68 15.491 1.409 8.523 1.00 0.00 C ATOM 994 OD1 ASP A 68 16.122 1.607 7.462 1.00 0.00 O ATOM 995 OD2 ASP A 68 15.414 2.198 9.489 1.00 0.00 O ATOM 0 H ASP A 68 13.365 -2.009 8.133 1.00 0.00 H new ATOM 0 HA ASP A 68 15.351 -0.459 6.656 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.675 0.274 8.606 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.952 -0.343 9.635 1.00 0.00 H new ATOM 1051 N ARG A 72 14.854 -4.537 2.685 1.00 0.00 N ATOM 1052 CA ARG A 72 13.756 -5.404 2.297 1.00 0.00 C ATOM 1053 C ARG A 72 12.455 -4.604 2.205 1.00 0.00 C ATOM 1054 O ARG A 72 12.416 -3.431 2.571 1.00 0.00 O ATOM 1055 CB ARG A 72 13.575 -6.547 3.299 1.00 0.00 C ATOM 1056 CG ARG A 72 14.043 -7.876 2.705 1.00 0.00 C ATOM 1057 CD ARG A 72 13.749 -9.036 3.658 1.00 0.00 C ATOM 1058 NE ARG A 72 14.520 -10.233 3.252 1.00 0.00 N ATOM 1059 CZ ARG A 72 14.785 -11.266 4.062 1.00 0.00 C ATOM 1060 NH1 ARG A 72 14.345 -11.256 5.328 1.00 0.00 N ATOM 1061 NH2 ARG A 72 15.492 -12.310 3.607 1.00 0.00 N ATOM 0 HA ARG A 72 13.996 -5.827 1.321 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.138 -6.332 4.207 1.00 0.00 H new ATOM 0 HB3 ARG A 72 12.526 -6.622 3.585 1.00 0.00 H new ATOM 0 HG2 ARG A 72 13.543 -8.048 1.752 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.113 -7.831 2.501 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.010 -8.754 4.678 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.682 -9.261 3.652 1.00 0.00 H new ATOM 0 HE ARG A 72 14.871 -10.273 2.295 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.808 -10.461 5.675 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.547 -12.043 5.944 1.00 0.00 H new ATOM 0 HH21 ARG A 72 15.828 -12.318 2.644 1.00 0.00 H new ATOM 0 HH22 ARG A 72 15.694 -13.097 4.224 1.00 0.00 H new ATOM 1075 N TYR A 73 11.420 -5.272 1.715 1.00 0.00 N ATOM 1076 CA TYR A 73 10.121 -4.638 1.571 1.00 0.00 C ATOM 1077 C TYR A 73 8.996 -5.672 1.636 1.00 0.00 C ATOM 1078 O TYR A 73 9.210 -6.847 1.341 1.00 0.00 O ATOM 1079 CB TYR A 73 10.120 -3.987 0.186 1.00 0.00 C ATOM 1080 CG TYR A 73 11.216 -2.937 -0.009 1.00 0.00 C ATOM 1081 CD1 TYR A 73 12.495 -3.329 -0.346 1.00 0.00 C ATOM 1082 CD2 TYR A 73 10.924 -1.598 0.153 1.00 0.00 C ATOM 1083 CE1 TYR A 73 13.526 -2.340 -0.529 1.00 0.00 C ATOM 1084 CE2 TYR A 73 11.955 -0.609 -0.030 1.00 0.00 C ATOM 1085 CZ TYR A 73 13.205 -1.029 -0.362 1.00 0.00 C ATOM 1086 OH TYR A 73 14.179 -0.095 -0.535 1.00 0.00 O ATOM 0 H TYR A 73 11.455 -6.246 1.413 1.00 0.00 H new ATOM 0 HA TYR A 73 9.955 -3.917 2.372 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.237 -4.764 -0.569 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.150 -3.520 0.016 1.00 0.00 H new ATOM 0 HD1 TYR A 73 12.723 -4.377 -0.473 1.00 0.00 H new ATOM 0 HD2 TYR A 73 9.923 -1.292 0.417 1.00 0.00 H new ATOM 0 HE1 TYR A 73 14.531 -2.633 -0.793 1.00 0.00 H new ATOM 0 HE2 TYR A 73 11.740 0.442 0.094 1.00 0.00 H new ATOM 0 HH TYR A 73 13.979 0.692 0.014 1.00 0.00 H new ATOM 1096 N TRP A 74 7.821 -5.198 2.023 1.00 0.00 N ATOM 1097 CA TRP A 74 6.661 -6.068 2.130 1.00 0.00 C ATOM 1098 C TRP A 74 5.498 -5.396 1.399 1.00 0.00 C ATOM 1099 O TRP A 74 5.513 -4.185 1.180 1.00 0.00 O ATOM 1100 CB TRP A 74 6.346 -6.383 3.594 1.00 0.00 C ATOM 1101 CG TRP A 74 7.239 -7.465 4.204 1.00 0.00 C ATOM 1102 CD1 TRP A 74 7.073 -8.794 4.158 1.00 0.00 C ATOM 1103 CD2 TRP A 74 8.451 -7.255 4.959 1.00 0.00 C ATOM 1104 NE1 TRP A 74 8.085 -9.453 4.825 1.00 0.00 N ATOM 1105 CE2 TRP A 74 8.950 -8.488 5.327 1.00 0.00 C ATOM 1106 CE3 TRP A 74 9.104 -6.063 5.318 1.00 0.00 C ATOM 1107 CZ2 TRP A 74 10.124 -8.647 6.074 1.00 0.00 C ATOM 1108 CZ3 TRP A 74 10.276 -6.240 6.064 1.00 0.00 C ATOM 1109 CH2 TRP A 74 10.791 -7.474 6.443 1.00 0.00 C ATOM 0 H TRP A 74 7.647 -4.223 2.266 1.00 0.00 H new ATOM 0 HA TRP A 74 6.856 -7.032 1.661 1.00 0.00 H new ATOM 0 HB2 TRP A 74 6.446 -5.470 4.181 1.00 0.00 H new ATOM 0 HB3 TRP A 74 5.306 -6.699 3.671 1.00 0.00 H new ATOM 0 HD1 TRP A 74 6.250 -9.287 3.661 1.00 0.00 H new ATOM 0 HE1 TRP A 74 8.181 -10.463 4.930 1.00 0.00 H new ATOM 0 HE3 TRP A 74 8.731 -5.088 5.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 10.495 -9.623 6.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 10.818 -5.356 6.366 1.00 0.00 H new ATOM 0 HH2 TRP A 74 11.702 -7.527 7.020 1.00 0.00 H new ATOM 1120 N ILE A 75 4.516 -6.211 1.041 1.00 0.00 N ATOM 1121 CA ILE A 75 3.346 -5.710 0.339 1.00 0.00 C ATOM 1122 C ILE A 75 2.093 -6.021 1.159 1.00 0.00 C ATOM 1123 O ILE A 75 1.555 -7.125 1.084 1.00 0.00 O ATOM 1124 CB ILE A 75 3.301 -6.262 -1.087 1.00 0.00 C ATOM 1125 CG1 ILE A 75 4.287 -5.523 -1.993 1.00 0.00 C ATOM 1126 CG2 ILE A 75 1.876 -6.228 -1.643 1.00 0.00 C ATOM 1127 CD1 ILE A 75 3.738 -4.155 -2.402 1.00 0.00 C ATOM 0 H ILE A 75 4.507 -7.214 1.224 1.00 0.00 H new ATOM 0 HA ILE A 75 3.398 -4.626 0.235 1.00 0.00 H new ATOM 0 HB ILE A 75 3.611 -7.307 -1.059 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.238 -5.397 -1.475 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.486 -6.120 -2.883 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.872 -6.626 -2.658 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.225 -6.834 -1.013 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.514 -5.200 -1.655 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.459 -3.651 -3.046 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.800 -4.286 -2.941 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.564 -3.552 -1.511 1.00 0.00 H new ATOM 1139 N PHE A 76 1.663 -5.028 1.924 1.00 0.00 N ATOM 1140 CA PHE A 76 0.483 -5.181 2.757 1.00 0.00 C ATOM 1141 C PHE A 76 -0.777 -4.739 2.010 1.00 0.00 C ATOM 1142 O PHE A 76 -0.847 -3.615 1.514 1.00 0.00 O ATOM 1143 CB PHE A 76 0.679 -4.282 3.980 1.00 0.00 C ATOM 1144 CG PHE A 76 -0.510 -4.275 4.943 1.00 0.00 C ATOM 1145 CD1 PHE A 76 -0.825 -5.398 5.642 1.00 0.00 C ATOM 1146 CD2 PHE A 76 -1.250 -3.145 5.101 1.00 0.00 C ATOM 1147 CE1 PHE A 76 -1.928 -5.391 6.537 1.00 0.00 C ATOM 1148 CE2 PHE A 76 -2.353 -3.138 5.995 1.00 0.00 C ATOM 1149 CZ PHE A 76 -2.669 -4.262 6.694 1.00 0.00 C ATOM 0 H PHE A 76 2.111 -4.114 1.984 1.00 0.00 H new ATOM 0 HA PHE A 76 0.358 -6.227 3.037 1.00 0.00 H new ATOM 0 HB2 PHE A 76 1.568 -4.608 4.519 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.866 -3.263 3.643 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.237 -6.295 5.517 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.999 -2.253 4.546 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.178 -6.283 7.093 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.941 -2.241 6.120 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.508 -4.257 7.373 1.00 0.00 H new ATOM 1159 N ARG A 77 -1.741 -5.645 1.954 1.00 0.00 N ATOM 1160 CA ARG A 77 -2.995 -5.363 1.276 1.00 0.00 C ATOM 1161 C ARG A 77 -4.165 -5.982 2.043 1.00 0.00 C ATOM 1162 O ARG A 77 -4.271 -7.204 2.141 1.00 0.00 O ATOM 1163 CB ARG A 77 -2.984 -5.911 -0.153 1.00 0.00 C ATOM 1164 CG ARG A 77 -1.835 -6.901 -0.351 1.00 0.00 C ATOM 1165 CD ARG A 77 -1.900 -7.545 -1.738 1.00 0.00 C ATOM 1166 NE ARG A 77 -2.029 -9.014 -1.609 1.00 0.00 N ATOM 1167 CZ ARG A 77 -2.523 -9.811 -2.566 1.00 0.00 C ATOM 1168 NH1 ARG A 77 -2.937 -9.287 -3.727 1.00 0.00 N ATOM 1169 NH2 ARG A 77 -2.602 -11.133 -2.361 1.00 0.00 N ATOM 0 H ARG A 77 -1.679 -6.576 2.367 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.114 -4.280 1.237 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.933 -6.403 -0.365 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -2.886 -5.088 -0.861 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.882 -6.387 -0.229 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.880 -7.674 0.416 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.748 -7.145 -2.294 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.002 -7.299 -2.305 1.00 0.00 H new ATOM 0 HE ARG A 77 -1.723 -9.446 -0.737 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.876 -8.281 -3.883 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.313 -9.894 -4.455 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -2.286 -11.532 -1.477 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.978 -11.740 -3.089 1.00 0.00 H new ATOM 1183 N SER A 78 -5.014 -5.111 2.568 1.00 0.00 N ATOM 1184 CA SER A 78 -6.172 -5.557 3.324 1.00 0.00 C ATOM 1185 C SER A 78 -7.450 -5.297 2.525 1.00 0.00 C ATOM 1186 O SER A 78 -7.481 -4.418 1.665 1.00 0.00 O ATOM 1187 CB SER A 78 -6.245 -4.859 4.684 1.00 0.00 C ATOM 1188 OG SER A 78 -7.583 -4.527 5.042 1.00 0.00 O ATOM 0 H SER A 78 -4.923 -4.098 2.485 1.00 0.00 H new ATOM 0 HA SER A 78 -6.073 -6.628 3.501 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.816 -5.507 5.448 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.641 -3.952 4.659 1.00 0.00 H new ATOM 0 HG SER A 78 -7.637 -4.387 6.010 1.00 0.00 H new ATOM 1194 N TRP A 79 -8.475 -6.077 2.837 1.00 0.00 N ATOM 1195 CA TRP A 79 -9.752 -5.942 2.158 1.00 0.00 C ATOM 1196 C TRP A 79 -10.843 -6.462 3.097 1.00 0.00 C ATOM 1197 O TRP A 79 -10.547 -6.971 4.176 1.00 0.00 O ATOM 1198 CB TRP A 79 -9.734 -6.660 0.807 1.00 0.00 C ATOM 1199 CG TRP A 79 -9.444 -8.159 0.903 1.00 0.00 C ATOM 1200 CD1 TRP A 79 -10.313 -9.156 1.119 1.00 0.00 C ATOM 1201 CD2 TRP A 79 -8.154 -8.795 0.776 1.00 0.00 C ATOM 1202 NE1 TRP A 79 -9.680 -10.383 1.141 1.00 0.00 N ATOM 1203 CE2 TRP A 79 -8.326 -10.156 0.926 1.00 0.00 C ATOM 1204 CE3 TRP A 79 -6.884 -8.238 0.543 1.00 0.00 C ATOM 1205 CZ2 TRP A 79 -7.271 -11.074 0.858 1.00 0.00 C ATOM 1206 CZ3 TRP A 79 -5.840 -9.169 0.479 1.00 0.00 C ATOM 1207 CH2 TRP A 79 -5.997 -10.542 0.627 1.00 0.00 C ATOM 0 H TRP A 79 -8.447 -6.805 3.551 1.00 0.00 H new ATOM 0 HA TRP A 79 -9.958 -4.897 1.929 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -10.698 -6.517 0.318 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.982 -6.195 0.170 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.375 -9.017 1.258 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -10.124 -11.289 1.288 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -6.726 -7.176 0.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -7.431 -12.135 0.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -4.843 -8.794 0.302 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -5.140 -11.196 0.564 1.00 0.00 H new ATOM 1218 N GLY A 80 -12.082 -6.315 2.651 1.00 0.00 N ATOM 1219 CA GLY A 80 -13.219 -6.763 3.438 1.00 0.00 C ATOM 1220 C GLY A 80 -14.317 -5.698 3.470 1.00 0.00 C ATOM 1221 O GLY A 80 -14.113 -4.576 3.007 1.00 0.00 O ATOM 0 H GLY A 80 -12.324 -5.892 1.755 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.616 -7.687 3.017 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.896 -6.988 4.454 1.00 0.00 H new ATOM 1225 N ARG A 81 -15.457 -6.086 4.022 1.00 0.00 N ATOM 1226 CA ARG A 81 -16.588 -5.179 4.121 1.00 0.00 C ATOM 1227 C ARG A 81 -16.375 -4.189 5.268 1.00 0.00 C ATOM 1228 O ARG A 81 -15.303 -4.152 5.870 1.00 0.00 O ATOM 1229 CB ARG A 81 -17.891 -5.946 4.353 1.00 0.00 C ATOM 1230 CG ARG A 81 -18.217 -6.849 3.161 1.00 0.00 C ATOM 1231 CD ARG A 81 -19.676 -7.305 3.201 1.00 0.00 C ATOM 1232 NE ARG A 81 -20.026 -7.993 1.939 1.00 0.00 N ATOM 1233 CZ ARG A 81 -21.199 -8.602 1.716 1.00 0.00 C ATOM 1234 NH1 ARG A 81 -22.141 -8.613 2.669 1.00 0.00 N ATOM 1235 NH2 ARG A 81 -21.429 -9.202 0.540 1.00 0.00 N ATOM 0 H ARG A 81 -15.622 -7.017 4.406 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.662 -4.637 3.178 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -17.806 -6.548 5.257 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -18.707 -5.242 4.514 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -18.025 -6.313 2.231 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -17.560 -7.719 3.169 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -19.833 -7.975 4.046 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -20.330 -6.446 3.350 1.00 0.00 H new ATOM 0 HE ARG A 81 -19.331 -8.005 1.192 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -21.966 -8.158 3.565 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -23.033 -9.077 2.499 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -20.712 -9.195 -0.185 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -22.322 -9.666 0.370 1.00 0.00 H new ATOM 1328 N SER A 88 -9.927 -9.549 5.869 1.00 0.00 N ATOM 1329 CA SER A 88 -8.653 -10.246 5.903 1.00 0.00 C ATOM 1330 C SER A 88 -7.543 -9.335 5.374 1.00 0.00 C ATOM 1331 O SER A 88 -7.819 -8.327 4.724 1.00 0.00 O ATOM 1332 CB SER A 88 -8.711 -11.539 5.088 1.00 0.00 C ATOM 1333 OG SER A 88 -8.947 -12.678 5.910 1.00 0.00 O ATOM 0 HA SER A 88 -8.435 -10.510 6.938 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.501 -11.461 4.341 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.773 -11.670 4.548 1.00 0.00 H new ATOM 0 HG SER A 88 -8.979 -13.483 5.352 1.00 0.00 H new ATOM 1339 N ASN A 89 -6.311 -9.721 5.672 1.00 0.00 N ATOM 1340 CA ASN A 89 -5.159 -8.951 5.235 1.00 0.00 C ATOM 1341 C ASN A 89 -4.075 -9.906 4.732 1.00 0.00 C ATOM 1342 O ASN A 89 -3.926 -11.011 5.252 1.00 0.00 O ATOM 1343 CB ASN A 89 -4.573 -8.134 6.388 1.00 0.00 C ATOM 1344 CG ASN A 89 -4.147 -9.043 7.543 1.00 0.00 C ATOM 1345 OD1 ASN A 89 -2.924 -9.547 7.412 1.00 0.00 O flip ATOM 1346 ND2 ASN A 89 -4.881 -9.271 8.490 1.00 0.00 N flip ATOM 0 H ASN A 89 -6.086 -10.557 6.211 1.00 0.00 H new ATOM 0 HA ASN A 89 -5.485 -8.275 4.444 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -3.715 -7.563 6.034 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -5.312 -7.414 6.740 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -5.810 -8.851 8.528 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -4.566 -9.882 9.244 1.00 0.00 H new ATOM 1353 N LYS A 90 -3.345 -9.445 3.727 1.00 0.00 N ATOM 1354 CA LYS A 90 -2.278 -10.244 3.149 1.00 0.00 C ATOM 1355 C LYS A 90 -0.973 -9.445 3.180 1.00 0.00 C ATOM 1356 O LYS A 90 -0.968 -8.248 2.897 1.00 0.00 O ATOM 1357 CB LYS A 90 -2.669 -10.728 1.751 1.00 0.00 C ATOM 1358 CG LYS A 90 -1.552 -11.569 1.129 1.00 0.00 C ATOM 1359 CD LYS A 90 -1.978 -13.032 0.991 1.00 0.00 C ATOM 1360 CE LYS A 90 -1.560 -13.599 -0.367 1.00 0.00 C ATOM 1361 NZ LYS A 90 -1.145 -15.013 -0.232 1.00 0.00 N ATOM 0 H LYS A 90 -3.472 -8.528 3.298 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.114 -11.145 3.740 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.584 -11.318 1.809 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.883 -9.871 1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.293 -11.168 0.149 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.656 -11.504 1.747 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.528 -13.622 1.789 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.059 -13.112 1.105 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.389 -13.523 -1.070 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.739 -13.010 -0.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.864 -15.383 -1.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.340 -15.077 0.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.939 -15.574 0.138 1.00 0.00 H new ATOM 1375 N LEU A 91 0.100 -10.140 3.526 1.00 0.00 N ATOM 1376 CA LEU A 91 1.408 -9.510 3.598 1.00 0.00 C ATOM 1377 C LEU A 91 2.448 -10.431 2.958 1.00 0.00 C ATOM 1378 O LEU A 91 2.571 -11.594 3.338 1.00 0.00 O ATOM 1379 CB LEU A 91 1.736 -9.120 5.041 1.00 0.00 C ATOM 1380 CG LEU A 91 3.125 -8.522 5.274 1.00 0.00 C ATOM 1381 CD1 LEU A 91 3.147 -7.033 4.921 1.00 0.00 C ATOM 1382 CD2 LEU A 91 3.598 -8.778 6.707 1.00 0.00 C ATOM 0 H LEU A 91 0.091 -11.133 3.760 1.00 0.00 H new ATOM 0 HA LEU A 91 1.415 -8.579 3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.991 -8.401 5.381 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.633 -10.006 5.668 1.00 0.00 H new ATOM 0 HG LEU A 91 3.829 -9.021 4.608 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.146 -6.632 5.096 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.883 -6.904 3.871 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.428 -6.501 5.544 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.588 -8.343 6.847 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.899 -8.322 7.408 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.645 -9.852 6.888 1.00 0.00 H new ATOM 1394 N GLU A 92 3.171 -9.875 1.996 1.00 0.00 N ATOM 1395 CA GLU A 92 4.198 -10.632 1.300 1.00 0.00 C ATOM 1396 C GLU A 92 5.487 -9.814 1.204 1.00 0.00 C ATOM 1397 O GLU A 92 5.451 -8.585 1.238 1.00 0.00 O ATOM 1398 CB GLU A 92 3.716 -11.061 -0.088 1.00 0.00 C ATOM 1399 CG GLU A 92 2.531 -12.023 0.017 1.00 0.00 C ATOM 1400 CD GLU A 92 2.818 -13.329 -0.726 1.00 0.00 C ATOM 1401 OE1 GLU A 92 2.830 -13.281 -1.975 1.00 0.00 O ATOM 1402 OE2 GLU A 92 3.020 -14.347 -0.028 1.00 0.00 O ATOM 0 H GLU A 92 3.066 -8.910 1.683 1.00 0.00 H new ATOM 0 HA GLU A 92 4.407 -11.536 1.872 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.426 -10.182 -0.664 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.532 -11.541 -0.628 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.322 -12.235 1.066 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.639 -11.553 -0.397 1.00 0.00 H new ATOM 1409 N GLN A 93 6.596 -10.529 1.085 1.00 0.00 N ATOM 1410 CA GLN A 93 7.895 -9.885 0.984 1.00 0.00 C ATOM 1411 C GLN A 93 8.315 -9.765 -0.482 1.00 0.00 C ATOM 1412 O GLN A 93 8.159 -10.708 -1.256 1.00 0.00 O ATOM 1413 CB GLN A 93 8.947 -10.643 1.795 1.00 0.00 C ATOM 1414 CG GLN A 93 10.334 -10.025 1.607 1.00 0.00 C ATOM 1415 CD GLN A 93 11.352 -11.083 1.173 1.00 0.00 C ATOM 1416 OE1 GLN A 93 12.060 -11.667 1.977 1.00 0.00 O ATOM 1417 NE2 GLN A 93 11.384 -11.295 -0.139 1.00 0.00 N ATOM 0 H GLN A 93 6.622 -11.548 1.056 1.00 0.00 H new ATOM 0 HA GLN A 93 7.815 -8.882 1.402 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.678 -10.627 2.851 1.00 0.00 H new ATOM 0 HB3 GLN A 93 8.966 -11.688 1.486 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.285 -9.234 0.859 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.659 -9.563 2.539 1.00 0.00 H new ATOM 0 HE21 GLN A 93 10.763 -10.771 -0.756 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.029 -11.982 -0.529 1.00 0.00 H new ATOM 1426 N MET A 94 8.838 -8.595 -0.820 1.00 0.00 N ATOM 1427 CA MET A 94 9.281 -8.339 -2.180 1.00 0.00 C ATOM 1428 C MET A 94 10.790 -8.557 -2.315 1.00 0.00 C ATOM 1429 O MET A 94 11.532 -8.402 -1.347 1.00 0.00 O ATOM 1430 CB MET A 94 8.936 -6.899 -2.567 1.00 0.00 C ATOM 1431 CG MET A 94 7.571 -6.494 -2.008 1.00 0.00 C ATOM 1432 SD MET A 94 6.382 -7.793 -2.298 1.00 0.00 S ATOM 1433 CE MET A 94 6.269 -7.718 -4.078 1.00 0.00 C ATOM 0 H MET A 94 8.965 -7.814 -0.176 1.00 0.00 H new ATOM 0 HA MET A 94 8.771 -9.035 -2.846 1.00 0.00 H new ATOM 0 HB2 MET A 94 9.703 -6.223 -2.189 1.00 0.00 H new ATOM 0 HB3 MET A 94 8.932 -6.801 -3.653 1.00 0.00 H new ATOM 0 HG2 MET A 94 7.651 -6.295 -0.939 1.00 0.00 H new ATOM 0 HG3 MET A 94 7.235 -5.571 -2.480 1.00 0.00 H new ATOM 0 HE1 MET A 94 5.451 -8.353 -4.418 1.00 0.00 H new ATOM 0 HE2 MET A 94 6.082 -6.690 -4.388 1.00 0.00 H new ATOM 0 HE3 MET A 94 7.204 -8.065 -4.517 1.00 0.00 H new ATOM 1443 N PRO A 95 11.208 -8.923 -3.557 1.00 0.00 N ATOM 1444 CA PRO A 95 12.615 -9.163 -3.831 1.00 0.00 C ATOM 1445 C PRO A 95 13.389 -7.847 -3.920 1.00 0.00 C ATOM 1446 O PRO A 95 14.367 -7.648 -3.200 1.00 0.00 O ATOM 1447 CB PRO A 95 12.633 -9.952 -5.131 1.00 0.00 C ATOM 1448 CG PRO A 95 11.275 -9.723 -5.775 1.00 0.00 C ATOM 1449 CD PRO A 95 10.357 -9.116 -4.727 1.00 0.00 C ATOM 0 HA PRO A 95 13.110 -9.720 -3.035 1.00 0.00 H new ATOM 0 HB2 PRO A 95 13.437 -9.612 -5.783 1.00 0.00 H new ATOM 0 HB3 PRO A 95 12.802 -11.012 -4.942 1.00 0.00 H new ATOM 0 HG2 PRO A 95 11.367 -9.057 -6.633 1.00 0.00 H new ATOM 0 HG3 PRO A 95 10.864 -10.663 -6.144 1.00 0.00 H new ATOM 0 HD2 PRO A 95 9.935 -8.171 -5.070 1.00 0.00 H new ATOM 0 HD3 PRO A 95 9.520 -9.777 -4.503 1.00 0.00 H new ATOM 1457 N SER A 96 12.923 -6.981 -4.808 1.00 0.00 N ATOM 1458 CA SER A 96 13.560 -5.690 -5.000 1.00 0.00 C ATOM 1459 C SER A 96 12.595 -4.568 -4.611 1.00 0.00 C ATOM 1460 O SER A 96 11.379 -4.756 -4.628 1.00 0.00 O ATOM 1461 CB SER A 96 14.023 -5.513 -6.447 1.00 0.00 C ATOM 1462 OG SER A 96 15.300 -4.886 -6.527 1.00 0.00 O ATOM 0 H SER A 96 12.111 -7.149 -5.403 1.00 0.00 H new ATOM 0 HA SER A 96 14.440 -5.644 -4.358 1.00 0.00 H new ATOM 0 HB2 SER A 96 14.066 -6.487 -6.935 1.00 0.00 H new ATOM 0 HB3 SER A 96 13.291 -4.916 -6.991 1.00 0.00 H new ATOM 0 HG SER A 96 15.560 -4.793 -7.467 1.00 0.00 H new ATOM 1468 N LYS A 97 13.172 -3.425 -4.270 1.00 0.00 N ATOM 1469 CA LYS A 97 12.379 -2.273 -3.878 1.00 0.00 C ATOM 1470 C LYS A 97 11.372 -1.952 -4.985 1.00 0.00 C ATOM 1471 O LYS A 97 10.189 -1.751 -4.715 1.00 0.00 O ATOM 1472 CB LYS A 97 13.286 -1.097 -3.512 1.00 0.00 C ATOM 1473 CG LYS A 97 12.464 0.163 -3.230 1.00 0.00 C ATOM 1474 CD LYS A 97 13.053 1.375 -3.954 1.00 0.00 C ATOM 1475 CE LYS A 97 13.891 2.230 -3.001 1.00 0.00 C ATOM 1476 NZ LYS A 97 15.334 1.996 -3.228 1.00 0.00 N ATOM 0 H LYS A 97 14.180 -3.272 -4.257 1.00 0.00 H new ATOM 0 HA LYS A 97 11.805 -2.494 -2.978 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.881 -1.351 -2.635 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.985 -0.905 -4.326 1.00 0.00 H new ATOM 0 HG2 LYS A 97 11.434 0.009 -3.551 1.00 0.00 H new ATOM 0 HG3 LYS A 97 12.439 0.353 -2.157 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.671 1.040 -4.787 1.00 0.00 H new ATOM 0 HD3 LYS A 97 12.248 1.977 -4.376 1.00 0.00 H new ATOM 0 HE2 LYS A 97 13.660 3.285 -3.150 1.00 0.00 H new ATOM 0 HE3 LYS A 97 13.636 1.991 -1.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 15.888 2.584 -2.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.553 0.993 -3.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.576 2.247 -4.208 1.00 0.00 H new ATOM 1490 N GLU A 98 11.879 -1.913 -6.209 1.00 0.00 N ATOM 1491 CA GLU A 98 11.040 -1.620 -7.358 1.00 0.00 C ATOM 1492 C GLU A 98 9.929 -2.664 -7.484 1.00 0.00 C ATOM 1493 O GLU A 98 8.749 -2.319 -7.520 1.00 0.00 O ATOM 1494 CB GLU A 98 11.871 -1.546 -8.640 1.00 0.00 C ATOM 1495 CG GLU A 98 12.895 -0.411 -8.565 1.00 0.00 C ATOM 1496 CD GLU A 98 12.873 0.431 -9.842 1.00 0.00 C ATOM 1497 OE1 GLU A 98 13.617 0.064 -10.777 1.00 0.00 O ATOM 1498 OE2 GLU A 98 12.113 1.424 -9.855 1.00 0.00 O ATOM 0 H GLU A 98 12.861 -2.080 -6.430 1.00 0.00 H new ATOM 0 HA GLU A 98 10.579 -0.644 -7.207 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.385 -2.494 -8.800 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.213 -1.391 -9.495 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.680 0.222 -7.704 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.892 -0.825 -8.415 1.00 0.00 H new ATOM 1505 N ASP A 99 10.346 -3.920 -7.548 1.00 0.00 N ATOM 1506 CA ASP A 99 9.400 -5.017 -7.669 1.00 0.00 C ATOM 1507 C ASP A 99 8.248 -4.803 -6.685 1.00 0.00 C ATOM 1508 O ASP A 99 7.134 -5.270 -6.918 1.00 0.00 O ATOM 1509 CB ASP A 99 10.064 -6.355 -7.337 1.00 0.00 C ATOM 1510 CG ASP A 99 11.011 -6.892 -8.412 1.00 0.00 C ATOM 1511 OD1 ASP A 99 10.521 -7.116 -9.540 1.00 0.00 O ATOM 1512 OD2 ASP A 99 12.204 -7.066 -8.082 1.00 0.00 O ATOM 0 H ASP A 99 11.326 -4.203 -7.518 1.00 0.00 H new ATOM 0 HA ASP A 99 9.038 -5.039 -8.697 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.620 -6.246 -6.406 1.00 0.00 H new ATOM 0 HB3 ASP A 99 9.285 -7.096 -7.158 1.00 0.00 H new ATOM 1517 N ALA A 100 8.557 -4.097 -5.607 1.00 0.00 N ATOM 1518 CA ALA A 100 7.561 -3.816 -4.587 1.00 0.00 C ATOM 1519 C ALA A 100 6.704 -2.629 -5.031 1.00 0.00 C ATOM 1520 O ALA A 100 5.477 -2.714 -5.040 1.00 0.00 O ATOM 1521 CB ALA A 100 8.258 -3.564 -3.249 1.00 0.00 C ATOM 0 H ALA A 100 9.482 -3.712 -5.418 1.00 0.00 H new ATOM 0 HA ALA A 100 6.897 -4.670 -4.453 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.511 -3.353 -2.484 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.830 -4.447 -2.965 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.931 -2.712 -3.344 1.00 0.00 H new ATOM 1527 N ILE A 101 7.384 -1.549 -5.387 1.00 0.00 N ATOM 1528 CA ILE A 101 6.701 -0.346 -5.831 1.00 0.00 C ATOM 1529 C ILE A 101 5.772 -0.693 -6.996 1.00 0.00 C ATOM 1530 O ILE A 101 4.601 -0.316 -6.995 1.00 0.00 O ATOM 1531 CB ILE A 101 7.711 0.755 -6.157 1.00 0.00 C ATOM 1532 CG1 ILE A 101 8.350 1.308 -4.882 1.00 0.00 C ATOM 1533 CG2 ILE A 101 7.068 1.857 -7.001 1.00 0.00 C ATOM 1534 CD1 ILE A 101 9.873 1.365 -5.011 1.00 0.00 C ATOM 0 H ILE A 101 8.402 -1.482 -5.377 1.00 0.00 H new ATOM 0 HA ILE A 101 6.076 0.054 -5.032 1.00 0.00 H new ATOM 0 HB ILE A 101 8.511 0.318 -6.754 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.961 2.306 -4.680 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.077 0.681 -4.033 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.808 2.627 -7.219 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.701 1.432 -7.935 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.236 2.298 -6.451 1.00 0.00 H new ATOM 0 HD11 ILE A 101 10.301 1.762 -4.091 1.00 0.00 H new ATOM 0 HD12 ILE A 101 10.261 0.362 -5.189 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.144 2.012 -5.846 1.00 0.00 H new ATOM 1546 N GLU A 102 6.329 -1.408 -7.963 1.00 0.00 N ATOM 1547 CA GLU A 102 5.565 -1.810 -9.132 1.00 0.00 C ATOM 1548 C GLU A 102 4.252 -2.470 -8.706 1.00 0.00 C ATOM 1549 O GLU A 102 3.182 -2.101 -9.189 1.00 0.00 O ATOM 1550 CB GLU A 102 6.383 -2.742 -10.027 1.00 0.00 C ATOM 1551 CG GLU A 102 7.754 -2.139 -10.339 1.00 0.00 C ATOM 1552 CD GLU A 102 8.138 -2.377 -11.801 1.00 0.00 C ATOM 1553 OE1 GLU A 102 7.332 -1.983 -12.671 1.00 0.00 O ATOM 1554 OE2 GLU A 102 9.229 -2.948 -12.016 1.00 0.00 O ATOM 0 H GLU A 102 7.300 -1.719 -7.961 1.00 0.00 H new ATOM 0 HA GLU A 102 5.329 -0.918 -9.713 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.509 -3.706 -9.535 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.843 -2.927 -10.956 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.740 -1.069 -10.133 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.506 -2.580 -9.685 1.00 0.00 H new ATOM 1561 N HIS A 103 4.377 -3.436 -7.808 1.00 0.00 N ATOM 1562 CA HIS A 103 3.213 -4.152 -7.312 1.00 0.00 C ATOM 1563 C HIS A 103 2.270 -3.174 -6.609 1.00 0.00 C ATOM 1564 O HIS A 103 1.070 -3.160 -6.880 1.00 0.00 O ATOM 1565 CB HIS A 103 3.634 -5.318 -6.415 1.00 0.00 C ATOM 1566 CG HIS A 103 2.627 -6.441 -6.355 1.00 0.00 C ATOM 1567 ND1 HIS A 103 2.152 -7.157 -5.295 1.00 0.00 N flip ATOM 1568 CD2 HIS A 103 1.991 -6.939 -7.479 1.00 0.00 C flip ATOM 1569 CE1 HIS A 103 1.274 -8.043 -5.747 1.00 0.00 C flip ATOM 1570 NE2 HIS A 103 1.173 -7.911 -7.101 1.00 0.00 N flip ATOM 0 H HIS A 103 5.266 -3.740 -7.411 1.00 0.00 H new ATOM 0 HA HIS A 103 2.668 -4.591 -8.148 1.00 0.00 H new ATOM 0 HB2 HIS A 103 4.584 -5.714 -6.774 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.806 -4.943 -5.406 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.137 -6.594 -8.492 1.00 0.00 H new ATOM 0 HE1 HIS A 103 0.729 -8.752 -5.142 1.00 0.00 H new ATOM 0 HE2 HIS A 103 0.574 -8.463 -7.714 1.00 0.00 H new ATOM 1578 N PHE A 104 2.848 -2.379 -5.721 1.00 0.00 N ATOM 1579 CA PHE A 104 2.074 -1.399 -4.977 1.00 0.00 C ATOM 1580 C PHE A 104 1.428 -0.381 -5.919 1.00 0.00 C ATOM 1581 O PHE A 104 0.353 0.142 -5.630 1.00 0.00 O ATOM 1582 CB PHE A 104 3.048 -0.671 -4.048 1.00 0.00 C ATOM 1583 CG PHE A 104 2.441 0.539 -3.337 1.00 0.00 C ATOM 1584 CD1 PHE A 104 2.476 1.764 -3.928 1.00 0.00 C ATOM 1585 CD2 PHE A 104 1.867 0.391 -2.112 1.00 0.00 C ATOM 1586 CE1 PHE A 104 1.913 2.887 -3.267 1.00 0.00 C ATOM 1587 CE2 PHE A 104 1.304 1.515 -1.452 1.00 0.00 C ATOM 1588 CZ PHE A 104 1.339 2.739 -2.043 1.00 0.00 C ATOM 0 H PHE A 104 3.844 -2.393 -5.500 1.00 0.00 H new ATOM 0 HA PHE A 104 1.278 -1.896 -4.422 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.414 -1.374 -3.299 1.00 0.00 H new ATOM 0 HB3 PHE A 104 3.911 -0.344 -4.627 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.932 1.882 -4.900 1.00 0.00 H new ATOM 0 HD2 PHE A 104 1.840 -0.581 -1.642 1.00 0.00 H new ATOM 0 HE1 PHE A 104 1.940 3.859 -3.736 1.00 0.00 H new ATOM 0 HE2 PHE A 104 0.848 1.398 -0.480 1.00 0.00 H new ATOM 0 HZ PHE A 104 0.911 3.594 -1.540 1.00 0.00 H new ATOM 1598 N MET A 105 2.112 -0.130 -7.026 1.00 0.00 N ATOM 1599 CA MET A 105 1.618 0.816 -8.012 1.00 0.00 C ATOM 1600 C MET A 105 0.532 0.183 -8.884 1.00 0.00 C ATOM 1601 O MET A 105 -0.405 0.859 -9.304 1.00 0.00 O ATOM 1602 CB MET A 105 2.776 1.283 -8.896 1.00 0.00 C ATOM 1603 CG MET A 105 3.557 2.414 -8.225 1.00 0.00 C ATOM 1604 SD MET A 105 3.844 3.734 -9.392 1.00 0.00 S ATOM 1605 CE MET A 105 4.598 2.813 -10.722 1.00 0.00 C ATOM 0 H MET A 105 3.004 -0.565 -7.262 1.00 0.00 H new ATOM 0 HA MET A 105 1.184 1.667 -7.486 1.00 0.00 H new ATOM 0 HB2 MET A 105 3.444 0.446 -9.099 1.00 0.00 H new ATOM 0 HB3 MET A 105 2.390 1.623 -9.857 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.001 2.791 -7.366 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.508 2.037 -7.849 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.294 3.456 -11.261 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.136 1.958 -10.313 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.825 2.462 -11.406 1.00 0.00 H new ATOM 1615 N LYS A 106 0.695 -1.109 -9.132 1.00 0.00 N ATOM 1616 CA LYS A 106 -0.259 -1.841 -9.947 1.00 0.00 C ATOM 1617 C LYS A 106 -1.469 -2.220 -9.090 1.00 0.00 C ATOM 1618 O LYS A 106 -2.611 -2.032 -9.505 1.00 0.00 O ATOM 1619 CB LYS A 106 0.417 -3.037 -10.620 1.00 0.00 C ATOM 1620 CG LYS A 106 -0.559 -4.205 -10.773 1.00 0.00 C ATOM 1621 CD LYS A 106 0.142 -5.433 -11.357 1.00 0.00 C ATOM 1622 CE LYS A 106 -0.304 -5.685 -12.799 1.00 0.00 C ATOM 1623 NZ LYS A 106 0.193 -6.996 -13.273 1.00 0.00 N ATOM 0 H LYS A 106 1.474 -1.667 -8.782 1.00 0.00 H new ATOM 0 HA LYS A 106 -0.626 -1.214 -10.759 1.00 0.00 H new ATOM 0 HB2 LYS A 106 0.793 -2.742 -11.600 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.277 -3.352 -10.030 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -0.988 -4.454 -9.803 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -1.385 -3.911 -11.421 1.00 0.00 H new ATOM 0 HD2 LYS A 106 1.222 -5.288 -11.327 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -0.080 -6.308 -10.746 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -1.392 -5.658 -12.859 1.00 0.00 H new ATOM 0 HE3 LYS A 106 0.071 -4.892 -13.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -0.118 -7.152 -14.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 1.232 -7.008 -13.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -0.185 -7.751 -12.666 1.00 0.00 H new ATOM 1637 N LEU A 107 -1.176 -2.748 -7.911 1.00 0.00 N ATOM 1638 CA LEU A 107 -2.226 -3.156 -6.992 1.00 0.00 C ATOM 1639 C LEU A 107 -3.223 -2.008 -6.823 1.00 0.00 C ATOM 1640 O LEU A 107 -4.410 -2.166 -7.104 1.00 0.00 O ATOM 1641 CB LEU A 107 -1.624 -3.647 -5.674 1.00 0.00 C ATOM 1642 CG LEU A 107 -1.369 -5.152 -5.573 1.00 0.00 C ATOM 1643 CD1 LEU A 107 -0.952 -5.543 -4.154 1.00 0.00 C ATOM 1644 CD2 LEU A 107 -2.584 -5.947 -6.054 1.00 0.00 C ATOM 0 H LEU A 107 -0.227 -2.903 -7.571 1.00 0.00 H new ATOM 0 HA LEU A 107 -2.780 -4.003 -7.397 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -0.680 -3.127 -5.513 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.291 -3.356 -4.862 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.539 -5.403 -6.233 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.777 -6.618 -4.109 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -0.037 -5.015 -3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.744 -5.275 -3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.376 -7.014 -5.972 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.449 -5.697 -5.439 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.794 -5.697 -7.094 1.00 0.00 H new ATOM 1656 N TYR A 108 -2.705 -0.879 -6.363 1.00 0.00 N ATOM 1657 CA TYR A 108 -3.535 0.295 -6.153 1.00 0.00 C ATOM 1658 C TYR A 108 -4.122 0.796 -7.474 1.00 0.00 C ATOM 1659 O TYR A 108 -4.985 1.672 -7.482 1.00 0.00 O ATOM 1660 CB TYR A 108 -2.609 1.370 -5.580 1.00 0.00 C ATOM 1661 CG TYR A 108 -3.316 2.682 -5.236 1.00 0.00 C ATOM 1662 CD1 TYR A 108 -3.905 2.845 -3.999 1.00 0.00 C ATOM 1663 CD2 TYR A 108 -3.365 3.703 -6.163 1.00 0.00 C ATOM 1664 CE1 TYR A 108 -4.571 4.080 -3.675 1.00 0.00 C ATOM 1665 CE2 TYR A 108 -4.030 4.938 -5.840 1.00 0.00 C ATOM 1666 CZ TYR A 108 -4.601 5.066 -4.612 1.00 0.00 C ATOM 1667 OH TYR A 108 -5.229 6.233 -4.306 1.00 0.00 O ATOM 0 H TYR A 108 -1.720 -0.752 -6.130 1.00 0.00 H new ATOM 0 HA TYR A 108 -4.367 0.062 -5.488 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -2.130 0.981 -4.681 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.817 1.574 -6.300 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.867 2.046 -3.273 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.904 3.575 -7.131 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -5.036 4.220 -2.710 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -4.075 5.745 -6.556 1.00 0.00 H new ATOM 0 HH TYR A 108 -5.171 6.846 -5.069 1.00 0.00 H new ATOM 1677 N GLU A 109 -3.629 0.218 -8.560 1.00 0.00 N ATOM 1678 CA GLU A 109 -4.094 0.595 -9.884 1.00 0.00 C ATOM 1679 C GLU A 109 -5.187 -0.366 -10.356 1.00 0.00 C ATOM 1680 O GLU A 109 -5.966 -0.035 -11.249 1.00 0.00 O ATOM 1681 CB GLU A 109 -2.933 0.637 -10.881 1.00 0.00 C ATOM 1682 CG GLU A 109 -3.447 0.798 -12.313 1.00 0.00 C ATOM 1683 CD GLU A 109 -2.295 0.734 -13.319 1.00 0.00 C ATOM 1684 OE1 GLU A 109 -1.906 -0.403 -13.664 1.00 0.00 O ATOM 1685 OE2 GLU A 109 -1.830 1.823 -13.719 1.00 0.00 O ATOM 0 H GLU A 109 -2.913 -0.508 -8.550 1.00 0.00 H new ATOM 0 HA GLU A 109 -4.518 1.597 -9.827 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.267 1.464 -10.635 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.347 -0.279 -10.802 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -4.171 0.014 -12.534 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.968 1.750 -12.411 1.00 0.00 H new ATOM 1692 N GLU A 110 -5.211 -1.536 -9.735 1.00 0.00 N ATOM 1693 CA GLU A 110 -6.196 -2.546 -10.081 1.00 0.00 C ATOM 1694 C GLU A 110 -7.530 -2.242 -9.397 1.00 0.00 C ATOM 1695 O GLU A 110 -8.592 -2.411 -9.995 1.00 0.00 O ATOM 1696 CB GLU A 110 -5.698 -3.946 -9.714 1.00 0.00 C ATOM 1697 CG GLU A 110 -6.223 -4.372 -8.341 1.00 0.00 C ATOM 1698 CD GLU A 110 -5.775 -5.795 -8.001 1.00 0.00 C ATOM 1699 OE1 GLU A 110 -4.578 -6.081 -8.219 1.00 0.00 O ATOM 1700 OE2 GLU A 110 -6.640 -6.565 -7.529 1.00 0.00 O ATOM 0 H GLU A 110 -4.564 -1.807 -8.994 1.00 0.00 H new ATOM 0 HA GLU A 110 -6.349 -2.522 -11.160 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -6.023 -4.661 -10.470 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.608 -3.959 -9.711 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.862 -3.681 -7.579 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -7.312 -4.317 -8.331 1.00 0.00 H new ATOM 1707 N LYS A 111 -7.433 -1.799 -8.152 1.00 0.00 N ATOM 1708 CA LYS A 111 -8.620 -1.470 -7.380 1.00 0.00 C ATOM 1709 C LYS A 111 -9.266 -0.210 -7.959 1.00 0.00 C ATOM 1710 O LYS A 111 -10.370 -0.265 -8.498 1.00 0.00 O ATOM 1711 CB LYS A 111 -8.278 -1.359 -5.893 1.00 0.00 C ATOM 1712 CG LYS A 111 -7.758 -2.691 -5.348 1.00 0.00 C ATOM 1713 CD LYS A 111 -8.897 -3.701 -5.194 1.00 0.00 C ATOM 1714 CE LYS A 111 -8.352 -5.105 -4.922 1.00 0.00 C ATOM 1715 NZ LYS A 111 -9.271 -5.856 -4.039 1.00 0.00 N ATOM 0 H LYS A 111 -6.551 -1.660 -7.659 1.00 0.00 H new ATOM 0 HA LYS A 111 -9.357 -2.269 -7.455 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -7.526 -0.584 -5.746 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -9.163 -1.054 -5.335 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -7.000 -3.092 -6.020 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -7.276 -2.530 -4.383 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -9.550 -3.396 -4.377 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -9.503 -3.712 -6.100 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -8.224 -5.640 -5.863 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -7.368 -5.036 -4.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -9.063 -6.873 -4.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -9.143 -5.541 -3.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.253 -5.683 -4.333 1.00 0.00 H new ATOM 1729 N THR A 112 -8.550 0.897 -7.826 1.00 0.00 N ATOM 1730 CA THR A 112 -9.040 2.170 -8.329 1.00 0.00 C ATOM 1731 C THR A 112 -9.147 2.134 -9.855 1.00 0.00 C ATOM 1732 O THR A 112 -9.960 2.848 -10.440 1.00 0.00 O ATOM 1733 CB THR A 112 -8.113 3.271 -7.811 1.00 0.00 C ATOM 1734 OG1 THR A 112 -6.875 3.023 -8.471 1.00 0.00 O ATOM 1735 CG2 THR A 112 -7.783 3.108 -6.326 1.00 0.00 C ATOM 0 H THR A 112 -7.635 0.939 -7.377 1.00 0.00 H new ATOM 0 HA THR A 112 -10.048 2.377 -7.968 1.00 0.00 H new ATOM 0 HB THR A 112 -8.578 4.243 -7.975 1.00 0.00 H new ATOM 0 HG1 THR A 112 -6.416 2.275 -8.035 1.00 0.00 H new ATOM 0 HG21 THR A 112 -7.122 3.915 -6.009 1.00 0.00 H new ATOM 0 HG22 THR A 112 -8.703 3.142 -5.743 1.00 0.00 H new ATOM 0 HG23 THR A 112 -7.288 2.150 -6.166 1.00 0.00 H new ATOM 1743 N GLY A 113 -8.315 1.297 -10.456 1.00 0.00 N ATOM 1744 CA GLY A 113 -8.306 1.159 -11.902 1.00 0.00 C ATOM 1745 C GLY A 113 -7.396 2.206 -12.547 1.00 0.00 C ATOM 1746 O GLY A 113 -7.046 2.090 -13.720 1.00 0.00 O ATOM 0 H GLY A 113 -7.642 0.707 -9.967 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -7.966 0.160 -12.173 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -9.320 1.266 -12.287 1.00 0.00 H new ATOM 1750 N ASN A 114 -7.040 3.204 -11.752 1.00 0.00 N ATOM 1751 CA ASN A 114 -6.178 4.271 -12.231 1.00 0.00 C ATOM 1752 C ASN A 114 -4.781 4.100 -11.631 1.00 0.00 C ATOM 1753 O ASN A 114 -4.641 3.661 -10.490 1.00 0.00 O ATOM 1754 CB ASN A 114 -6.710 5.641 -11.807 1.00 0.00 C ATOM 1755 CG ASN A 114 -7.696 6.190 -12.840 1.00 0.00 C ATOM 1756 OD1 ASN A 114 -7.401 7.102 -13.595 1.00 0.00 O ATOM 1757 ND2 ASN A 114 -8.881 5.586 -12.831 1.00 0.00 N ATOM 0 H ASN A 114 -7.333 3.296 -10.779 1.00 0.00 H new ATOM 0 HA ASN A 114 -6.147 4.217 -13.319 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -7.201 5.560 -10.837 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -5.879 6.336 -11.687 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -9.608 5.880 -13.483 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -9.062 4.829 -12.172 1.00 0.00 H new ATOM 1764 N ALA A 115 -3.782 4.455 -12.426 1.00 0.00 N ATOM 1765 CA ALA A 115 -2.401 4.347 -11.987 1.00 0.00 C ATOM 1766 C ALA A 115 -2.196 5.212 -10.743 1.00 0.00 C ATOM 1767 O ALA A 115 -2.923 6.182 -10.530 1.00 0.00 O ATOM 1768 CB ALA A 115 -1.469 4.744 -13.133 1.00 0.00 C ATOM 0 H ALA A 115 -3.902 4.818 -13.372 1.00 0.00 H new ATOM 0 HA ALA A 115 -2.164 3.318 -11.715 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.433 4.663 -12.804 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.633 4.080 -13.982 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -1.676 5.772 -13.431 1.00 0.00 H new ATOM 1774 N TRP A 116 -1.204 4.831 -9.953 1.00 0.00 N ATOM 1775 CA TRP A 116 -0.894 5.560 -8.735 1.00 0.00 C ATOM 1776 C TRP A 116 -0.424 6.962 -9.129 1.00 0.00 C ATOM 1777 O TRP A 116 -0.972 7.959 -8.661 1.00 0.00 O ATOM 1778 CB TRP A 116 0.131 4.803 -7.888 1.00 0.00 C ATOM 1779 CG TRP A 116 0.822 5.665 -6.829 1.00 0.00 C ATOM 1780 CD1 TRP A 116 1.751 6.612 -7.015 1.00 0.00 C ATOM 1781 CD2 TRP A 116 0.600 5.619 -5.404 1.00 0.00 C ATOM 1782 NE1 TRP A 116 2.143 7.178 -5.819 1.00 0.00 N ATOM 1783 CE2 TRP A 116 1.421 6.555 -4.808 1.00 0.00 C ATOM 1784 CE3 TRP A 116 -0.265 4.813 -4.643 1.00 0.00 C ATOM 1785 CZ2 TRP A 116 1.457 6.774 -3.426 1.00 0.00 C ATOM 1786 CZ3 TRP A 116 -0.217 5.044 -3.263 1.00 0.00 C ATOM 1787 CH2 TRP A 116 0.603 5.982 -2.648 1.00 0.00 C ATOM 0 H TRP A 116 -0.604 4.026 -10.133 1.00 0.00 H new ATOM 0 HA TRP A 116 -1.780 5.653 -8.106 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -0.367 3.968 -7.394 1.00 0.00 H new ATOM 0 HB3 TRP A 116 0.888 4.378 -8.547 1.00 0.00 H new ATOM 0 HD1 TRP A 116 2.144 6.897 -7.980 1.00 0.00 H new ATOM 0 HE1 TRP A 116 2.835 7.917 -5.699 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -0.915 4.074 -5.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 2.108 7.514 -2.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -0.863 4.451 -2.632 1.00 0.00 H new ATOM 0 HH2 TRP A 116 0.582 6.100 -1.575 1.00 0.00 H new ATOM 1798 N HIS A 117 0.585 6.993 -9.987 1.00 0.00 N ATOM 1799 CA HIS A 117 1.135 8.256 -10.450 1.00 0.00 C ATOM 1800 C HIS A 117 0.520 8.618 -11.803 1.00 0.00 C ATOM 1801 O HIS A 117 1.202 8.594 -12.826 1.00 0.00 O ATOM 1802 CB HIS A 117 2.663 8.202 -10.489 1.00 0.00 C ATOM 1803 CG HIS A 117 3.337 9.310 -9.715 1.00 0.00 C ATOM 1804 ND1 HIS A 117 3.995 9.095 -8.516 1.00 0.00 N ATOM 1805 CD2 HIS A 117 3.449 10.643 -9.982 1.00 0.00 C ATOM 1806 CE1 HIS A 117 4.476 10.253 -8.089 1.00 0.00 C ATOM 1807 NE2 HIS A 117 4.136 11.212 -8.999 1.00 0.00 N ATOM 0 H HIS A 117 1.036 6.164 -10.374 1.00 0.00 H new ATOM 0 HA HIS A 117 0.876 9.049 -9.748 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.993 7.242 -10.091 1.00 0.00 H new ATOM 0 HB3 HIS A 117 2.991 8.246 -11.527 1.00 0.00 H new ATOM 0 HD2 HIS A 117 3.047 11.150 -10.847 1.00 0.00 H new ATOM 0 HE1 HIS A 117 5.038 10.411 -7.181 1.00 0.00 H new ATOM 0 HE2 HIS A 117 4.371 12.202 -8.934 1.00 0.00 H new ATOM 1815 N SER A 118 -0.764 8.946 -11.765 1.00 0.00 N ATOM 1816 CA SER A 118 -1.479 9.313 -12.975 1.00 0.00 C ATOM 1817 C SER A 118 -2.061 10.721 -12.833 1.00 0.00 C ATOM 1818 O SER A 118 -2.008 11.516 -13.770 1.00 0.00 O ATOM 1819 CB SER A 118 -2.590 8.308 -13.285 1.00 0.00 C ATOM 1820 OG SER A 118 -2.834 8.197 -14.684 1.00 0.00 O ATOM 0 H SER A 118 -1.327 8.965 -10.915 1.00 0.00 H new ATOM 0 HA SER A 118 -0.773 9.301 -13.806 1.00 0.00 H new ATOM 0 HB2 SER A 118 -2.317 7.331 -12.886 1.00 0.00 H new ATOM 0 HB3 SER A 118 -3.506 8.614 -12.780 1.00 0.00 H new ATOM 0 HG SER A 118 -3.548 7.545 -14.841 1.00 0.00 H new ATOM 1826 N LYS A 119 -2.604 10.985 -11.653 1.00 0.00 N ATOM 1827 CA LYS A 119 -3.196 12.283 -11.376 1.00 0.00 C ATOM 1828 C LYS A 119 -4.580 12.357 -12.025 1.00 0.00 C ATOM 1829 O LYS A 119 -4.879 11.597 -12.945 1.00 0.00 O ATOM 1830 CB LYS A 119 -2.252 13.406 -11.811 1.00 0.00 C ATOM 1831 CG LYS A 119 -1.903 14.317 -10.632 1.00 0.00 C ATOM 1832 CD LYS A 119 -0.413 14.662 -10.629 1.00 0.00 C ATOM 1833 CE LYS A 119 -0.141 15.924 -11.450 1.00 0.00 C ATOM 1834 NZ LYS A 119 1.298 16.269 -11.409 1.00 0.00 N ATOM 0 H LYS A 119 -2.646 10.323 -10.879 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.339 12.415 -10.304 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -1.340 12.978 -12.227 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -2.719 13.992 -12.602 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -2.492 15.232 -10.688 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.168 13.825 -9.696 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -0.072 14.810 -9.604 1.00 0.00 H new ATOM 0 HD3 LYS A 119 0.158 13.828 -11.037 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -0.454 15.768 -12.482 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -0.731 16.753 -11.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 1.465 17.128 -11.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 1.587 16.438 -10.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 1.855 15.484 -11.803 1.00 0.00 H new ATOM 1848 N ASN A 120 -5.387 13.278 -11.520 1.00 0.00 N ATOM 1849 CA ASN A 120 -6.732 13.461 -12.038 1.00 0.00 C ATOM 1850 C ASN A 120 -7.455 12.112 -12.054 1.00 0.00 C ATOM 1851 O ASN A 120 -7.883 11.646 -13.108 1.00 0.00 O ATOM 1852 CB ASN A 120 -6.702 13.998 -13.471 1.00 0.00 C ATOM 1853 CG ASN A 120 -6.677 15.527 -13.482 1.00 0.00 C ATOM 1854 OD1 ASN A 120 -5.966 16.168 -12.726 1.00 0.00 O ATOM 1855 ND2 ASN A 120 -7.491 16.075 -14.380 1.00 0.00 N ATOM 0 H ASN A 120 -5.135 13.906 -10.757 1.00 0.00 H new ATOM 0 HA ASN A 120 -7.247 14.175 -11.396 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -5.824 13.613 -13.989 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -7.576 13.641 -14.016 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -7.546 17.090 -14.466 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -8.060 15.480 -14.983 1.00 0.00 H new ATOM 1862 N PHE A 121 -7.569 11.524 -10.872 1.00 0.00 N ATOM 1863 CA PHE A 121 -8.233 10.239 -10.736 1.00 0.00 C ATOM 1864 C PHE A 121 -9.694 10.327 -11.181 1.00 0.00 C ATOM 1865 O PHE A 121 -10.315 11.385 -11.081 1.00 0.00 O ATOM 1866 CB PHE A 121 -8.186 9.865 -9.254 1.00 0.00 C ATOM 1867 CG PHE A 121 -9.033 8.643 -8.893 1.00 0.00 C ATOM 1868 CD1 PHE A 121 -8.730 7.427 -9.420 1.00 0.00 C ATOM 1869 CD2 PHE A 121 -10.088 8.774 -8.045 1.00 0.00 C ATOM 1870 CE1 PHE A 121 -9.516 6.293 -9.084 1.00 0.00 C ATOM 1871 CE2 PHE A 121 -10.874 7.640 -7.710 1.00 0.00 C ATOM 1872 CZ PHE A 121 -10.572 6.423 -8.237 1.00 0.00 C ATOM 0 H PHE A 121 -7.212 11.914 -10.000 1.00 0.00 H new ATOM 0 HA PHE A 121 -7.735 9.496 -11.359 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -7.151 9.673 -8.971 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -8.525 10.716 -8.664 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.892 7.323 -10.094 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.328 9.740 -7.626 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -9.275 5.327 -9.501 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.712 7.744 -7.037 1.00 0.00 H new ATOM 0 HZ PHE A 121 -11.170 5.561 -7.983 1.00 0.00 H new ATOM 1882 N THR A 122 -10.201 9.203 -11.664 1.00 0.00 N ATOM 1883 CA THR A 122 -11.578 9.139 -12.125 1.00 0.00 C ATOM 1884 C THR A 122 -12.369 8.119 -11.304 1.00 0.00 C ATOM 1885 O THR A 122 -12.069 6.926 -11.335 1.00 0.00 O ATOM 1886 CB THR A 122 -11.561 8.832 -13.624 1.00 0.00 C ATOM 1887 OG1 THR A 122 -11.108 10.043 -14.222 1.00 0.00 O ATOM 1888 CG2 THR A 122 -12.966 8.637 -14.197 1.00 0.00 C ATOM 0 H THR A 122 -9.683 8.328 -11.746 1.00 0.00 H new ATOM 0 HA THR A 122 -12.088 10.091 -11.980 1.00 0.00 H new ATOM 0 HB THR A 122 -10.967 7.936 -13.804 1.00 0.00 H new ATOM 0 HG1 THR A 122 -11.066 9.932 -15.195 1.00 0.00 H new ATOM 0 HG21 THR A 122 -12.897 8.422 -15.263 1.00 0.00 H new ATOM 0 HG22 THR A 122 -13.454 7.805 -13.689 1.00 0.00 H new ATOM 0 HG23 THR A 122 -13.549 9.545 -14.047 1.00 0.00 H new ATOM 1896 N LYS A 123 -13.364 8.625 -10.590 1.00 0.00 N ATOM 1897 CA LYS A 123 -14.200 7.772 -9.762 1.00 0.00 C ATOM 1898 C LYS A 123 -15.031 6.854 -10.660 1.00 0.00 C ATOM 1899 O LYS A 123 -16.102 7.240 -11.126 1.00 0.00 O ATOM 1900 CB LYS A 123 -15.038 8.616 -8.800 1.00 0.00 C ATOM 1901 CG LYS A 123 -15.238 7.892 -7.467 1.00 0.00 C ATOM 1902 CD LYS A 123 -16.243 6.748 -7.609 1.00 0.00 C ATOM 1903 CE LYS A 123 -16.743 6.283 -6.240 1.00 0.00 C ATOM 1904 NZ LYS A 123 -17.003 4.826 -6.250 1.00 0.00 N ATOM 0 H LYS A 123 -13.610 9.615 -10.568 1.00 0.00 H new ATOM 0 HA LYS A 123 -13.585 7.130 -9.132 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -14.546 9.573 -8.628 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -16.007 8.832 -9.250 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -14.284 7.500 -7.115 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -15.590 8.598 -6.715 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -17.087 7.074 -8.217 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -15.777 5.913 -8.133 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -16.003 6.521 -5.476 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -17.655 6.819 -5.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -18.028 4.656 -6.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -16.615 4.410 -7.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -16.549 4.387 -5.424 1.00 0.00 H new ATOM 1918 N TYR A 124 -14.507 5.657 -10.876 1.00 0.00 N ATOM 1919 CA TYR A 124 -15.188 4.681 -11.710 1.00 0.00 C ATOM 1920 C TYR A 124 -16.116 3.798 -10.874 1.00 0.00 C ATOM 1921 O TYR A 124 -16.005 3.759 -9.650 1.00 0.00 O ATOM 1922 CB TYR A 124 -14.089 3.810 -12.323 1.00 0.00 C ATOM 1923 CG TYR A 124 -13.559 4.327 -13.661 1.00 0.00 C ATOM 1924 CD1 TYR A 124 -14.440 4.742 -14.639 1.00 0.00 C ATOM 1925 CD2 TYR A 124 -12.199 4.379 -13.891 1.00 0.00 C ATOM 1926 CE1 TYR A 124 -13.941 5.228 -15.899 1.00 0.00 C ATOM 1927 CE2 TYR A 124 -11.700 4.865 -15.151 1.00 0.00 C ATOM 1928 CZ TYR A 124 -12.595 5.266 -16.093 1.00 0.00 C ATOM 1929 OH TYR A 124 -12.124 5.726 -17.283 1.00 0.00 O ATOM 0 H TYR A 124 -13.618 5.340 -10.488 1.00 0.00 H new ATOM 0 HA TYR A 124 -15.796 5.179 -12.465 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -13.260 3.740 -11.618 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -14.475 2.800 -12.463 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -15.504 4.702 -14.459 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -11.509 4.055 -13.126 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -14.620 5.555 -16.673 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -10.638 4.910 -15.344 1.00 0.00 H new ATOM 0 HH TYR A 124 -11.144 5.698 -17.280 1.00 0.00 H new ATOM 1939 N PRO A 125 -17.034 3.092 -11.588 1.00 0.00 N ATOM 1940 CA PRO A 125 -17.981 2.212 -10.925 1.00 0.00 C ATOM 1941 C PRO A 125 -17.300 0.923 -10.461 1.00 0.00 C ATOM 1942 O PRO A 125 -16.645 0.244 -11.251 1.00 0.00 O ATOM 1943 CB PRO A 125 -19.077 1.969 -11.950 1.00 0.00 C ATOM 1944 CG PRO A 125 -18.477 2.340 -13.296 1.00 0.00 C ATOM 1945 CD PRO A 125 -17.195 3.114 -13.038 1.00 0.00 C ATOM 0 HA PRO A 125 -18.394 2.648 -10.016 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -19.398 0.927 -11.939 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -19.956 2.576 -11.733 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -18.271 1.444 -13.882 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -19.178 2.944 -13.873 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -16.345 2.650 -13.538 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -17.267 4.135 -13.413 1.00 0.00 H new ATOM 1953 N LYS A 126 -17.477 0.624 -9.183 1.00 0.00 N ATOM 1954 CA LYS A 126 -16.888 -0.572 -8.605 1.00 0.00 C ATOM 1955 C LYS A 126 -15.387 -0.350 -8.406 1.00 0.00 C ATOM 1956 O LYS A 126 -14.676 -1.250 -7.962 1.00 0.00 O ATOM 1957 CB LYS A 126 -17.220 -1.799 -9.457 1.00 0.00 C ATOM 1958 CG LYS A 126 -18.721 -1.875 -9.746 1.00 0.00 C ATOM 1959 CD LYS A 126 -19.138 -3.303 -10.103 1.00 0.00 C ATOM 1960 CE LYS A 126 -18.911 -3.585 -11.589 1.00 0.00 C ATOM 1961 NZ LYS A 126 -19.060 -5.030 -11.872 1.00 0.00 N ATOM 0 H LYS A 126 -18.020 1.190 -8.531 1.00 0.00 H new ATOM 0 HA LYS A 126 -17.315 -0.770 -7.622 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -16.667 -1.755 -10.395 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -16.899 -2.703 -8.940 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -19.281 -1.536 -8.874 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -18.972 -1.203 -10.567 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -18.568 -4.013 -9.503 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -20.190 -3.451 -9.858 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -19.624 -3.016 -12.186 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -17.915 -3.252 -11.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -18.903 -5.203 -12.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -18.363 -5.566 -11.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -20.019 -5.337 -11.613 1.00 0.00 H new ATOM 1975 N LYS A 127 -14.949 0.854 -8.743 1.00 0.00 N ATOM 1976 CA LYS A 127 -13.546 1.206 -8.607 1.00 0.00 C ATOM 1977 C LYS A 127 -13.317 1.848 -7.237 1.00 0.00 C ATOM 1978 O LYS A 127 -14.032 2.772 -6.853 1.00 0.00 O ATOM 1979 CB LYS A 127 -13.096 2.080 -9.779 1.00 0.00 C ATOM 1980 CG LYS A 127 -12.943 1.249 -11.055 1.00 0.00 C ATOM 1981 CD LYS A 127 -11.820 0.222 -10.909 1.00 0.00 C ATOM 1982 CE LYS A 127 -11.434 -0.365 -12.269 1.00 0.00 C ATOM 1983 NZ LYS A 127 -12.059 -1.693 -12.456 1.00 0.00 N ATOM 0 H LYS A 127 -15.542 1.599 -9.110 1.00 0.00 H new ATOM 0 HA LYS A 127 -12.923 0.312 -8.649 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -13.822 2.876 -9.944 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -12.147 2.559 -9.537 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -13.881 0.739 -11.276 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -12.732 1.907 -11.898 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -10.950 0.692 -10.451 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -12.138 -0.578 -10.241 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -11.751 0.308 -13.066 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -10.350 -0.454 -12.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -11.787 -2.077 -13.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -11.736 -2.337 -11.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -13.094 -1.599 -12.410 1.00 0.00 H new ATOM 1997 N PHE A 128 -12.316 1.333 -6.538 1.00 0.00 N ATOM 1998 CA PHE A 128 -11.983 1.845 -5.220 1.00 0.00 C ATOM 1999 C PHE A 128 -11.373 3.245 -5.313 1.00 0.00 C ATOM 2000 O PHE A 128 -10.626 3.540 -6.245 1.00 0.00 O ATOM 2001 CB PHE A 128 -10.951 0.891 -4.617 1.00 0.00 C ATOM 2002 CG PHE A 128 -11.508 -0.491 -4.271 1.00 0.00 C ATOM 2003 CD1 PHE A 128 -12.046 -0.720 -3.043 1.00 0.00 C ATOM 2004 CD2 PHE A 128 -11.466 -1.491 -5.192 1.00 0.00 C ATOM 2005 CE1 PHE A 128 -12.563 -2.003 -2.722 1.00 0.00 C ATOM 2006 CE2 PHE A 128 -11.983 -2.774 -4.871 1.00 0.00 C ATOM 2007 CZ PHE A 128 -12.521 -3.003 -3.643 1.00 0.00 C ATOM 0 H PHE A 128 -11.725 0.567 -6.860 1.00 0.00 H new ATOM 0 HA PHE A 128 -12.883 1.910 -4.608 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -10.126 0.773 -5.320 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -10.539 1.342 -3.714 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -12.080 0.074 -2.312 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -11.039 -1.309 -6.167 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -12.990 -2.185 -1.747 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -11.949 -3.568 -5.602 1.00 0.00 H new ATOM 0 HZ PHE A 128 -12.915 -3.979 -3.399 1.00 0.00 H new ATOM 2017 N TYR A 129 -11.714 4.071 -4.335 1.00 0.00 N ATOM 2018 CA TYR A 129 -11.209 5.433 -4.295 1.00 0.00 C ATOM 2019 C TYR A 129 -10.565 5.739 -2.941 1.00 0.00 C ATOM 2020 O TYR A 129 -10.769 5.009 -1.973 1.00 0.00 O ATOM 2021 CB TYR A 129 -12.426 6.340 -4.484 1.00 0.00 C ATOM 2022 CG TYR A 129 -13.588 6.027 -3.539 1.00 0.00 C ATOM 2023 CD1 TYR A 129 -13.594 6.541 -2.258 1.00 0.00 C ATOM 2024 CD2 TYR A 129 -14.630 5.230 -3.967 1.00 0.00 C ATOM 2025 CE1 TYR A 129 -14.688 6.247 -1.369 1.00 0.00 C ATOM 2026 CE2 TYR A 129 -15.724 4.935 -3.078 1.00 0.00 C ATOM 2027 CZ TYR A 129 -15.699 5.458 -1.823 1.00 0.00 C ATOM 2028 OH TYR A 129 -16.731 5.180 -0.983 1.00 0.00 O ATOM 0 H TYR A 129 -12.334 3.823 -3.564 1.00 0.00 H new ATOM 0 HA TYR A 129 -10.452 5.584 -5.064 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -12.121 7.376 -4.337 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -12.775 6.253 -5.513 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -12.778 7.164 -1.922 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -14.625 4.827 -4.969 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -14.706 6.644 -0.365 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -16.546 4.313 -3.401 1.00 0.00 H new ATOM 0 HH TYR A 129 -17.380 4.607 -1.441 1.00 0.00 H new ATOM 2038 N PRO A 130 -9.779 6.849 -2.916 1.00 0.00 N ATOM 2039 CA PRO A 130 -9.104 7.261 -1.698 1.00 0.00 C ATOM 2040 C PRO A 130 -10.088 7.894 -0.712 1.00 0.00 C ATOM 2041 O PRO A 130 -10.706 8.914 -1.015 1.00 0.00 O ATOM 2042 CB PRO A 130 -8.020 8.224 -2.155 1.00 0.00 C ATOM 2043 CG PRO A 130 -8.423 8.674 -3.550 1.00 0.00 C ATOM 2044 CD PRO A 130 -9.514 7.738 -4.044 1.00 0.00 C ATOM 0 HA PRO A 130 -8.670 6.422 -1.154 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -7.942 9.074 -1.478 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -7.045 7.737 -2.168 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -8.783 9.703 -3.530 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -7.565 8.649 -4.222 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -10.409 8.290 -4.332 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -9.189 7.179 -4.921 1.00 0.00 H new ATOM 2052 N LEU A 131 -10.204 7.262 0.447 1.00 0.00 N ATOM 2053 CA LEU A 131 -11.104 7.751 1.478 1.00 0.00 C ATOM 2054 C LEU A 131 -10.522 9.025 2.094 1.00 0.00 C ATOM 2055 O LEU A 131 -11.237 10.007 2.289 1.00 0.00 O ATOM 2056 CB LEU A 131 -11.393 6.651 2.501 1.00 0.00 C ATOM 2057 CG LEU A 131 -11.951 5.342 1.939 1.00 0.00 C ATOM 2058 CD1 LEU A 131 -12.107 4.293 3.042 1.00 0.00 C ATOM 2059 CD2 LEU A 131 -13.261 5.582 1.186 1.00 0.00 C ATOM 0 H LEU A 131 -9.690 6.416 0.695 1.00 0.00 H new ATOM 0 HA LEU A 131 -12.069 8.016 1.047 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -10.470 6.429 3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -12.101 7.040 3.233 1.00 0.00 H new ATOM 0 HG LEU A 131 -11.234 4.947 1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -12.505 3.373 2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -11.135 4.093 3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -12.792 4.665 3.804 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -13.636 4.635 0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -13.997 6.012 1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -13.085 6.270 0.359 1.00 0.00 H new ATOM 2071 N GLU A 132 -9.230 8.969 2.383 1.00 0.00 N ATOM 2072 CA GLU A 132 -8.545 10.106 2.972 1.00 0.00 C ATOM 2073 C GLU A 132 -7.932 10.982 1.878 1.00 0.00 C ATOM 2074 O GLU A 132 -6.763 10.821 1.531 1.00 0.00 O ATOM 2075 CB GLU A 132 -7.478 9.647 3.968 1.00 0.00 C ATOM 2076 CG GLU A 132 -8.049 9.570 5.386 1.00 0.00 C ATOM 2077 CD GLU A 132 -7.593 10.765 6.226 1.00 0.00 C ATOM 2078 OE1 GLU A 132 -6.504 10.653 6.829 1.00 0.00 O ATOM 2079 OE2 GLU A 132 -8.345 11.764 6.247 1.00 0.00 O ATOM 0 H GLU A 132 -8.640 8.153 2.220 1.00 0.00 H new ATOM 0 HA GLU A 132 -9.276 10.701 3.520 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -7.096 8.670 3.672 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -6.635 10.338 3.948 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -9.138 9.546 5.343 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -7.728 8.643 5.861 1.00 0.00 H new