USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=23 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 114 ASN : amide:sc= 0.288 X(o=-0.71,f=-0.87) USER MOD Set 1.2: A 118 SER OG : rot 132:sc= -0.997 USER MOD Set 2.1: A 46 THR OG1 : rot 120:sc= -0.217 USER MOD Set 2.2: A 61 LYS NZ :NH3+ -129:sc= 0.913 (180deg=0) USER MOD Set 3.1: A 44 SER OG : rot 136:sc= -1.48! USER MOD Set 3.2: A 63 GLN :FLIP amide:sc= -1.9! C(o=-6.1!,f=-3.4!) USER MOD Single : A 27 SER OG : rot -77:sc= 1.41 USER MOD Single : A 31 HIS : no HD1:sc= -3.41! C(o=-3.4!,f=-6.3!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.0772 X(o=-0.077,f=-0.022) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0975 USER MOD Single : A 57 ASN : amide:sc= -1.12 K(o=-1.1,f=-3.3) USER MOD Single : A 58 SER OG : rot 180:sc= -0.502 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 130:sc=-0.00986 USER MOD Single : A 73 TYR OH : rot 30:sc= -1.26 USER MOD Single : A 78 SER OG : rot 180:sc= -1.15 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.625 K(o=-0.62,f=-3!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= 0.0492 X(o=0.049,f=-0.19) USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS :FLIP no HD1:sc= -0.492 F(o=-1.5,f=-0.49) USER MOD Single : A 105 MET CE :methyl -147:sc= -0.173 (180deg=-1.19) 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+ 152:sc= 0.0969 (180deg=0) USER MOD Single : A 112 THR OG1 : rot -66:sc= 1.24 USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= -0.0584 X(o=-0.058,f=-0.43) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (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 3.210 8.499 7.346 1.00 0.00 N ATOM 288 CA ALA A 21 3.360 7.104 6.971 1.00 0.00 C ATOM 289 C ALA A 21 3.289 6.233 8.227 1.00 0.00 C ATOM 290 O ALA A 21 4.254 6.151 8.986 1.00 0.00 O ATOM 291 CB ALA A 21 4.672 6.918 6.207 1.00 0.00 C ATOM 0 HA ALA A 21 2.551 6.796 6.309 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.784 5.871 5.926 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.661 7.536 5.309 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.507 7.215 6.841 1.00 0.00 H new ATOM 297 N ALA A 22 2.137 5.604 8.408 1.00 0.00 N ATOM 298 CA ALA A 22 1.927 4.742 9.559 1.00 0.00 C ATOM 299 C ALA A 22 1.729 3.302 9.083 1.00 0.00 C ATOM 300 O ALA A 22 0.950 3.049 8.166 1.00 0.00 O ATOM 301 CB ALA A 22 0.737 5.256 10.372 1.00 0.00 C ATOM 0 H ALA A 22 1.339 5.674 7.777 1.00 0.00 H new ATOM 0 HA ALA A 22 2.799 4.756 10.213 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.580 4.609 11.235 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.940 6.272 10.712 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.157 5.254 9.749 1.00 0.00 H new ATOM 307 N VAL A 23 2.448 2.395 9.729 1.00 0.00 N ATOM 308 CA VAL A 23 2.361 0.987 9.382 1.00 0.00 C ATOM 309 C VAL A 23 1.421 0.282 10.362 1.00 0.00 C ATOM 310 O VAL A 23 1.338 0.660 11.530 1.00 0.00 O ATOM 311 CB VAL A 23 3.761 0.369 9.349 1.00 0.00 C ATOM 312 CG1 VAL A 23 3.685 -1.159 9.301 1.00 0.00 C ATOM 313 CG2 VAL A 23 4.573 0.914 8.172 1.00 0.00 C ATOM 0 H VAL A 23 3.093 2.608 10.490 1.00 0.00 H new ATOM 0 HA VAL A 23 1.942 0.865 8.383 1.00 0.00 H new ATOM 0 HB VAL A 23 4.273 0.651 10.269 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.693 -1.573 9.278 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.162 -1.525 10.185 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.145 -1.469 8.406 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.563 0.459 8.172 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.064 0.676 7.238 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.671 1.995 8.267 1.00 0.00 H new ATOM 323 N ASP A 24 0.735 -0.730 9.851 1.00 0.00 N ATOM 324 CA ASP A 24 -0.197 -1.490 10.666 1.00 0.00 C ATOM 325 C ASP A 24 0.584 -2.468 11.547 1.00 0.00 C ATOM 326 O ASP A 24 1.605 -3.009 11.126 1.00 0.00 O ATOM 327 CB ASP A 24 -1.156 -2.302 9.793 1.00 0.00 C ATOM 328 CG ASP A 24 -2.568 -1.726 9.676 1.00 0.00 C ATOM 329 OD1 ASP A 24 -2.763 -0.879 8.777 1.00 0.00 O ATOM 330 OD2 ASP A 24 -3.422 -2.146 10.487 1.00 0.00 O ATOM 0 H ASP A 24 0.806 -1.041 8.882 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.769 -0.786 11.271 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.730 -2.386 8.793 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.224 -3.312 10.197 1.00 0.00 H new ATOM 335 N PRO A 25 0.059 -2.670 12.785 1.00 0.00 N ATOM 336 CA PRO A 25 0.695 -3.572 13.729 1.00 0.00 C ATOM 337 C PRO A 25 0.443 -5.032 13.347 1.00 0.00 C ATOM 338 O PRO A 25 1.223 -5.915 13.703 1.00 0.00 O ATOM 339 CB PRO A 25 0.110 -3.203 15.083 1.00 0.00 C ATOM 340 CG PRO A 25 -1.166 -2.431 14.788 1.00 0.00 C ATOM 341 CD PRO A 25 -1.149 -2.046 13.318 1.00 0.00 C ATOM 0 HA PRO A 25 1.780 -3.473 13.739 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.100 -4.094 15.674 1.00 0.00 H new ATOM 0 HB3 PRO A 25 0.809 -2.597 15.659 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.041 -3.040 15.013 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -1.227 -1.541 15.415 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -2.040 -2.406 12.804 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.124 -0.964 13.192 1.00 0.00 H new ATOM 349 N ASP A 26 -0.650 -5.242 12.628 1.00 0.00 N ATOM 350 CA ASP A 26 -1.014 -6.580 12.193 1.00 0.00 C ATOM 351 C ASP A 26 0.042 -7.100 11.216 1.00 0.00 C ATOM 352 O ASP A 26 0.151 -8.305 10.998 1.00 0.00 O ATOM 353 CB ASP A 26 -2.364 -6.576 11.472 1.00 0.00 C ATOM 354 CG ASP A 26 -3.577 -6.829 12.369 1.00 0.00 C ATOM 355 OD1 ASP A 26 -3.462 -7.715 13.243 1.00 0.00 O ATOM 356 OD2 ASP A 26 -4.592 -6.130 12.161 1.00 0.00 O ATOM 0 H ASP A 26 -1.295 -4.508 12.336 1.00 0.00 H new ATOM 0 HA ASP A 26 -1.078 -7.216 13.076 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.492 -5.613 10.977 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.344 -7.336 10.691 1.00 0.00 H new ATOM 361 N SER A 27 0.794 -6.165 10.654 1.00 0.00 N ATOM 362 CA SER A 27 1.838 -6.514 9.706 1.00 0.00 C ATOM 363 C SER A 27 3.112 -6.913 10.453 1.00 0.00 C ATOM 364 O SER A 27 3.912 -7.698 9.947 1.00 0.00 O ATOM 365 CB SER A 27 2.125 -5.353 8.751 1.00 0.00 C ATOM 366 OG SER A 27 2.994 -4.386 9.333 1.00 0.00 O ATOM 0 H SER A 27 0.701 -5.166 10.837 1.00 0.00 H new ATOM 0 HA SER A 27 1.492 -7.361 9.113 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.573 -5.739 7.835 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.187 -4.875 8.470 1.00 0.00 H new ATOM 0 HG SER A 27 2.490 -3.831 9.965 1.00 0.00 H new ATOM 372 N GLY A 28 3.260 -6.355 11.646 1.00 0.00 N ATOM 373 CA GLY A 28 4.422 -6.644 12.468 1.00 0.00 C ATOM 374 C GLY A 28 5.598 -5.741 12.091 1.00 0.00 C ATOM 375 O GLY A 28 6.537 -5.580 12.869 1.00 0.00 O ATOM 0 H GLY A 28 2.594 -5.704 12.063 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.172 -6.502 13.520 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.707 -7.689 12.346 1.00 0.00 H new ATOM 379 N LEU A 29 5.509 -5.175 10.896 1.00 0.00 N ATOM 380 CA LEU A 29 6.554 -4.293 10.406 1.00 0.00 C ATOM 381 C LEU A 29 6.438 -2.936 11.103 1.00 0.00 C ATOM 382 O LEU A 29 7.379 -2.143 11.086 1.00 0.00 O ATOM 383 CB LEU A 29 6.509 -4.205 8.879 1.00 0.00 C ATOM 384 CG LEU A 29 7.203 -5.339 8.121 1.00 0.00 C ATOM 385 CD1 LEU A 29 7.129 -6.649 8.907 1.00 0.00 C ATOM 386 CD2 LEU A 29 6.633 -5.484 6.709 1.00 0.00 C ATOM 0 H LEU A 29 4.729 -5.310 10.253 1.00 0.00 H new ATOM 0 HA LEU A 29 7.537 -4.695 10.650 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.465 -4.172 8.567 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.962 -3.261 8.576 1.00 0.00 H new ATOM 0 HG LEU A 29 8.258 -5.085 8.017 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.629 -7.438 8.346 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.620 -6.522 9.872 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.085 -6.921 9.063 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.144 -6.297 6.192 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.567 -5.704 6.768 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.782 -4.554 6.159 1.00 0.00 H new ATOM 398 N GLU A 30 5.277 -2.710 11.699 1.00 0.00 N ATOM 399 CA GLU A 30 5.026 -1.463 12.401 1.00 0.00 C ATOM 400 C GLU A 30 6.306 -0.968 13.079 1.00 0.00 C ATOM 401 O GLU A 30 6.548 0.236 13.153 1.00 0.00 O ATOM 402 CB GLU A 30 3.894 -1.624 13.418 1.00 0.00 C ATOM 403 CG GLU A 30 4.090 -2.885 14.261 1.00 0.00 C ATOM 404 CD GLU A 30 3.399 -2.750 15.619 1.00 0.00 C ATOM 405 OE1 GLU A 30 3.285 -1.596 16.086 1.00 0.00 O ATOM 406 OE2 GLU A 30 3.001 -3.804 16.161 1.00 0.00 O ATOM 0 H GLU A 30 4.499 -3.370 11.710 1.00 0.00 H new ATOM 0 HA GLU A 30 4.712 -0.716 11.672 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.857 -0.750 14.068 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.937 -1.675 12.898 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.689 -3.748 13.729 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.155 -3.067 14.407 1.00 0.00 H new ATOM 413 N HIS A 31 7.091 -1.922 13.556 1.00 0.00 N ATOM 414 CA HIS A 31 8.340 -1.599 14.225 1.00 0.00 C ATOM 415 C HIS A 31 9.515 -2.138 13.407 1.00 0.00 C ATOM 416 O HIS A 31 10.655 -1.717 13.599 1.00 0.00 O ATOM 417 CB HIS A 31 8.334 -2.115 15.665 1.00 0.00 C ATOM 418 CG HIS A 31 7.834 -3.532 15.808 1.00 0.00 C ATOM 419 ND1 HIS A 31 8.027 -4.497 14.834 1.00 0.00 N ATOM 420 CD2 HIS A 31 7.148 -4.138 16.820 1.00 0.00 C ATOM 421 CE1 HIS A 31 7.478 -5.628 15.252 1.00 0.00 C ATOM 422 NE2 HIS A 31 6.933 -5.404 16.482 1.00 0.00 N ATOM 0 H HIS A 31 6.887 -2.919 13.493 1.00 0.00 H new ATOM 0 HA HIS A 31 8.453 -0.517 14.289 1.00 0.00 H new ATOM 0 HB2 HIS A 31 9.346 -2.056 16.065 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.712 -1.458 16.273 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.833 -3.668 17.740 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.464 -6.564 14.713 1.00 0.00 H new ATOM 0 HE2 HIS A 31 6.441 -6.095 17.049 1.00 0.00 H new ATOM 430 N SER A 32 9.197 -3.061 12.512 1.00 0.00 N ATOM 431 CA SER A 32 10.212 -3.662 11.664 1.00 0.00 C ATOM 432 C SER A 32 10.401 -2.823 10.399 1.00 0.00 C ATOM 433 O SER A 32 11.413 -2.140 10.248 1.00 0.00 O ATOM 434 CB SER A 32 9.841 -5.101 11.296 1.00 0.00 C ATOM 435 OG SER A 32 10.918 -6.005 11.527 1.00 0.00 O ATOM 0 H SER A 32 8.251 -3.408 12.355 1.00 0.00 H new ATOM 0 HA SER A 32 11.150 -3.688 12.219 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.975 -5.413 11.879 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.551 -5.144 10.246 1.00 0.00 H new ATOM 0 HG SER A 32 10.642 -6.913 11.282 1.00 0.00 H new ATOM 441 N ALA A 33 9.411 -2.902 9.521 1.00 0.00 N ATOM 442 CA ALA A 33 9.456 -2.157 8.274 1.00 0.00 C ATOM 443 C ALA A 33 8.418 -1.034 8.318 1.00 0.00 C ATOM 444 O ALA A 33 7.385 -1.164 8.972 1.00 0.00 O ATOM 445 CB ALA A 33 9.232 -3.113 7.101 1.00 0.00 C ATOM 0 H ALA A 33 8.574 -3.470 9.649 1.00 0.00 H new ATOM 0 HA ALA A 33 10.434 -1.696 8.137 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.266 -2.555 6.165 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.012 -3.874 7.098 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.258 -3.592 7.203 1.00 0.00 H new ATOM 451 N HIS A 34 8.730 0.044 7.613 1.00 0.00 N ATOM 452 CA HIS A 34 7.837 1.189 7.563 1.00 0.00 C ATOM 453 C HIS A 34 7.406 1.441 6.117 1.00 0.00 C ATOM 454 O HIS A 34 8.072 1.001 5.181 1.00 0.00 O ATOM 455 CB HIS A 34 8.487 2.413 8.210 1.00 0.00 C ATOM 456 CG HIS A 34 9.955 2.570 7.891 1.00 0.00 C ATOM 457 ND1 HIS A 34 10.956 2.241 8.788 1.00 0.00 N ATOM 458 CD2 HIS A 34 10.579 3.023 6.766 1.00 0.00 C ATOM 459 CE1 HIS A 34 12.126 2.490 8.218 1.00 0.00 C ATOM 460 NE2 HIS A 34 11.890 2.975 6.965 1.00 0.00 N ATOM 0 H HIS A 34 9.588 0.148 7.072 1.00 0.00 H new ATOM 0 HA HIS A 34 6.938 0.979 8.142 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.957 3.308 7.884 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.366 2.347 9.291 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.089 3.363 5.866 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.096 2.336 8.667 1.00 0.00 H new ATOM 0 HE2 HIS A 34 12.604 3.255 6.292 1.00 0.00 H new ATOM 468 N VAL A 35 6.296 2.150 5.979 1.00 0.00 N ATOM 469 CA VAL A 35 5.768 2.467 4.662 1.00 0.00 C ATOM 470 C VAL A 35 6.895 3.014 3.784 1.00 0.00 C ATOM 471 O VAL A 35 7.897 3.514 4.294 1.00 0.00 O ATOM 472 CB VAL A 35 4.587 3.431 4.790 1.00 0.00 C ATOM 473 CG1 VAL A 35 4.432 3.921 6.231 1.00 0.00 C ATOM 474 CG2 VAL A 35 4.735 4.609 3.824 1.00 0.00 C ATOM 0 H VAL A 35 5.747 2.514 6.757 1.00 0.00 H new ATOM 0 HA VAL A 35 5.385 1.569 4.177 1.00 0.00 H new ATOM 0 HB VAL A 35 3.681 2.888 4.522 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.585 4.605 6.294 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.260 3.069 6.889 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.340 4.439 6.539 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.883 5.280 3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.654 5.150 4.048 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.774 4.237 2.800 1.00 0.00 H new ATOM 484 N LEU A 36 6.694 2.901 2.480 1.00 0.00 N ATOM 485 CA LEU A 36 7.681 3.379 1.526 1.00 0.00 C ATOM 486 C LEU A 36 7.374 4.833 1.166 1.00 0.00 C ATOM 487 O LEU A 36 6.292 5.138 0.666 1.00 0.00 O ATOM 488 CB LEU A 36 7.750 2.446 0.315 1.00 0.00 C ATOM 489 CG LEU A 36 9.000 2.574 -0.559 1.00 0.00 C ATOM 490 CD1 LEU A 36 8.672 3.257 -1.888 1.00 0.00 C ATOM 491 CD2 LEU A 36 10.123 3.291 0.192 1.00 0.00 C ATOM 0 H LEU A 36 5.862 2.485 2.061 1.00 0.00 H new ATOM 0 HA LEU A 36 8.677 3.364 1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.682 1.417 0.669 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.875 2.627 -0.309 1.00 0.00 H new ATOM 0 HG LEU A 36 9.358 1.571 -0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.577 3.335 -2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.929 2.669 -2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.276 4.254 -1.697 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.999 3.369 -0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.791 4.290 0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.380 2.726 1.088 1.00 0.00 H new ATOM 503 N GLU A 37 8.345 5.694 1.434 1.00 0.00 N ATOM 504 CA GLU A 37 8.192 7.109 1.144 1.00 0.00 C ATOM 505 C GLU A 37 9.096 7.513 -0.021 1.00 0.00 C ATOM 506 O GLU A 37 10.243 7.076 -0.102 1.00 0.00 O ATOM 507 CB GLU A 37 8.483 7.957 2.384 1.00 0.00 C ATOM 508 CG GLU A 37 7.197 8.262 3.155 1.00 0.00 C ATOM 509 CD GLU A 37 7.426 8.166 4.664 1.00 0.00 C ATOM 510 OE1 GLU A 37 7.507 7.018 5.154 1.00 0.00 O ATOM 511 OE2 GLU A 37 7.516 9.241 5.295 1.00 0.00 O ATOM 0 H GLU A 37 9.241 5.438 1.849 1.00 0.00 H new ATOM 0 HA GLU A 37 7.157 7.291 0.854 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.184 7.431 3.032 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.963 8.890 2.087 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.844 9.261 2.900 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.416 7.563 2.857 1.00 0.00 H new ATOM 518 N LYS A 38 8.546 8.343 -0.896 1.00 0.00 N ATOM 519 CA LYS A 38 9.289 8.811 -2.053 1.00 0.00 C ATOM 520 C LYS A 38 8.758 10.183 -2.474 1.00 0.00 C ATOM 521 O LYS A 38 7.580 10.482 -2.285 1.00 0.00 O ATOM 522 CB LYS A 38 9.251 7.768 -3.172 1.00 0.00 C ATOM 523 CG LYS A 38 10.543 6.948 -3.201 1.00 0.00 C ATOM 524 CD LYS A 38 10.415 5.757 -4.153 1.00 0.00 C ATOM 525 CE LYS A 38 11.272 5.961 -5.403 1.00 0.00 C ATOM 526 NZ LYS A 38 10.700 7.026 -6.257 1.00 0.00 N ATOM 0 H LYS A 38 7.594 8.703 -0.826 1.00 0.00 H new ATOM 0 HA LYS A 38 10.342 8.939 -1.803 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.398 7.105 -3.027 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.109 8.264 -4.132 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.373 7.581 -3.515 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.775 6.592 -2.197 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.721 4.844 -3.642 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.372 5.627 -4.440 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.289 6.226 -5.114 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.333 5.029 -5.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.295 7.151 -7.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.738 6.759 -6.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.665 7.918 -5.723 1.00 0.00 H new ATOM 540 N GLY A 39 9.654 10.982 -3.037 1.00 0.00 N ATOM 541 CA GLY A 39 9.290 12.315 -3.486 1.00 0.00 C ATOM 542 C GLY A 39 8.326 12.981 -2.502 1.00 0.00 C ATOM 543 O GLY A 39 7.265 13.462 -2.897 1.00 0.00 O ATOM 0 H GLY A 39 10.630 10.731 -3.192 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.187 12.925 -3.591 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.827 12.257 -4.471 1.00 0.00 H new ATOM 547 N GLY A 40 8.729 12.987 -1.240 1.00 0.00 N ATOM 548 CA GLY A 40 7.914 13.586 -0.197 1.00 0.00 C ATOM 549 C GLY A 40 6.478 13.060 -0.253 1.00 0.00 C ATOM 550 O GLY A 40 5.529 13.809 -0.027 1.00 0.00 O ATOM 0 H GLY A 40 9.609 12.587 -0.916 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.347 13.367 0.779 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.913 14.670 -0.309 1.00 0.00 H new ATOM 554 N LYS A 41 6.364 11.775 -0.557 1.00 0.00 N ATOM 555 CA LYS A 41 5.060 11.140 -0.646 1.00 0.00 C ATOM 556 C LYS A 41 5.097 9.804 0.098 1.00 0.00 C ATOM 557 O LYS A 41 6.128 9.135 0.130 1.00 0.00 O ATOM 558 CB LYS A 41 4.622 11.019 -2.106 1.00 0.00 C ATOM 559 CG LYS A 41 4.156 12.370 -2.653 1.00 0.00 C ATOM 560 CD LYS A 41 2.639 12.522 -2.522 1.00 0.00 C ATOM 561 CE LYS A 41 1.934 12.122 -3.819 1.00 0.00 C ATOM 562 NZ LYS A 41 0.757 12.987 -4.057 1.00 0.00 N ATOM 0 H LYS A 41 7.153 11.157 -0.745 1.00 0.00 H new ATOM 0 HA LYS A 41 4.302 11.755 -0.160 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.450 10.645 -2.708 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.815 10.291 -2.188 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.654 13.176 -2.113 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.445 12.462 -3.700 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.277 11.902 -1.701 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.393 13.555 -2.274 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.627 12.202 -4.656 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.621 11.079 -3.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.290 12.702 -4.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.089 12.890 -3.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.064 13.978 -4.131 1.00 0.00 H new ATOM 576 N VAL A 42 3.958 9.454 0.679 1.00 0.00 N ATOM 577 CA VAL A 42 3.847 8.210 1.420 1.00 0.00 C ATOM 578 C VAL A 42 3.050 7.198 0.594 1.00 0.00 C ATOM 579 O VAL A 42 2.066 7.556 -0.051 1.00 0.00 O ATOM 580 CB VAL A 42 3.232 8.474 2.796 1.00 0.00 C ATOM 581 CG1 VAL A 42 2.515 7.230 3.324 1.00 0.00 C ATOM 582 CG2 VAL A 42 4.293 8.956 3.787 1.00 0.00 C ATOM 0 H VAL A 42 3.104 10.011 0.651 1.00 0.00 H new ATOM 0 HA VAL A 42 4.834 7.781 1.596 1.00 0.00 H new ATOM 0 HB VAL A 42 2.492 9.266 2.685 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.087 7.445 4.303 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.719 6.948 2.634 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.227 6.409 3.411 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.830 9.136 4.757 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.067 8.195 3.890 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.740 9.880 3.421 1.00 0.00 H new ATOM 592 N PHE A 43 3.505 5.955 0.640 1.00 0.00 N ATOM 593 CA PHE A 43 2.847 4.889 -0.096 1.00 0.00 C ATOM 594 C PHE A 43 1.714 4.273 0.726 1.00 0.00 C ATOM 595 O PHE A 43 1.454 3.074 0.631 1.00 0.00 O ATOM 596 CB PHE A 43 3.904 3.817 -0.371 1.00 0.00 C ATOM 597 CG PHE A 43 4.798 4.119 -1.575 1.00 0.00 C ATOM 598 CD1 PHE A 43 5.281 5.376 -1.766 1.00 0.00 C ATOM 599 CD2 PHE A 43 5.111 3.130 -2.455 1.00 0.00 C ATOM 600 CE1 PHE A 43 6.111 5.656 -2.883 1.00 0.00 C ATOM 601 CE2 PHE A 43 5.941 3.410 -3.572 1.00 0.00 C ATOM 602 CZ PHE A 43 6.424 4.667 -3.763 1.00 0.00 C ATOM 0 H PHE A 43 4.322 5.662 1.176 1.00 0.00 H new ATOM 0 HA PHE A 43 2.418 5.283 -1.017 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.530 3.703 0.514 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.404 2.862 -0.533 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.033 6.161 -1.068 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.728 2.132 -2.304 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.494 6.654 -3.034 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.189 2.625 -4.270 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.056 4.880 -4.613 1.00 0.00 H new ATOM 612 N SER A 44 1.070 5.120 1.516 1.00 0.00 N ATOM 613 CA SER A 44 -0.029 4.674 2.354 1.00 0.00 C ATOM 614 C SER A 44 -1.350 5.240 1.831 1.00 0.00 C ATOM 615 O SER A 44 -1.694 6.386 2.115 1.00 0.00 O ATOM 616 CB SER A 44 0.186 5.089 3.811 1.00 0.00 C ATOM 617 OG SER A 44 -0.524 4.248 4.716 1.00 0.00 O ATOM 0 H SER A 44 1.289 6.113 1.593 1.00 0.00 H new ATOM 0 HA SER A 44 -0.067 3.585 2.316 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.250 5.056 4.044 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.138 6.121 3.945 1.00 0.00 H new ATOM 0 HG SER A 44 0.058 4.012 5.468 1.00 0.00 H new ATOM 623 N ALA A 45 -2.055 4.410 1.075 1.00 0.00 N ATOM 624 CA ALA A 45 -3.331 4.814 0.510 1.00 0.00 C ATOM 625 C ALA A 45 -4.442 3.939 1.093 1.00 0.00 C ATOM 626 O ALA A 45 -4.258 2.737 1.278 1.00 0.00 O ATOM 627 CB ALA A 45 -3.263 4.730 -1.017 1.00 0.00 C ATOM 0 H ALA A 45 -1.766 3.460 0.841 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.556 5.848 0.770 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.220 5.033 -1.441 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.478 5.392 -1.383 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.042 3.705 -1.316 1.00 0.00 H new ATOM 633 N THR A 46 -5.571 4.577 1.366 1.00 0.00 N ATOM 634 CA THR A 46 -6.712 3.871 1.925 1.00 0.00 C ATOM 635 C THR A 46 -7.887 3.896 0.944 1.00 0.00 C ATOM 636 O THR A 46 -8.629 4.875 0.884 1.00 0.00 O ATOM 637 CB THR A 46 -7.040 4.500 3.281 1.00 0.00 C ATOM 638 OG1 THR A 46 -5.861 4.292 4.054 1.00 0.00 O ATOM 639 CG2 THR A 46 -8.123 3.729 4.038 1.00 0.00 C ATOM 0 H THR A 46 -5.720 5.574 1.211 1.00 0.00 H new ATOM 0 HA THR A 46 -6.485 2.817 2.086 1.00 0.00 H new ATOM 0 HB THR A 46 -7.364 5.530 3.134 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.497 5.158 4.334 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.317 4.218 4.993 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.038 3.712 3.446 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.786 2.708 4.215 1.00 0.00 H new ATOM 647 N LEU A 47 -8.019 2.807 0.201 1.00 0.00 N ATOM 648 CA LEU A 47 -9.090 2.692 -0.773 1.00 0.00 C ATOM 649 C LEU A 47 -10.379 2.276 -0.061 1.00 0.00 C ATOM 650 O LEU A 47 -10.334 1.642 0.992 1.00 0.00 O ATOM 651 CB LEU A 47 -8.683 1.749 -1.908 1.00 0.00 C ATOM 652 CG LEU A 47 -8.193 2.419 -3.193 1.00 0.00 C ATOM 653 CD1 LEU A 47 -7.569 3.784 -2.897 1.00 0.00 C ATOM 654 CD2 LEU A 47 -7.234 1.504 -3.957 1.00 0.00 C ATOM 0 H LEU A 47 -7.402 1.997 0.254 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.282 3.656 -1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.895 1.091 -1.542 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.537 1.118 -2.154 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.055 2.592 -3.837 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.229 4.238 -3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.312 4.430 -2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.721 3.658 -2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.901 2.004 -4.866 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.371 1.277 -3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.746 0.578 -4.219 1.00 0.00 H new ATOM 666 N GLY A 48 -11.498 2.650 -0.665 1.00 0.00 N ATOM 667 CA GLY A 48 -12.797 2.325 -0.101 1.00 0.00 C ATOM 668 C GLY A 48 -13.879 2.323 -1.183 1.00 0.00 C ATOM 669 O GLY A 48 -13.902 3.201 -2.044 1.00 0.00 O ATOM 0 H GLY A 48 -11.532 3.175 -1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -12.755 1.347 0.378 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -13.053 3.049 0.673 1.00 0.00 H new ATOM 673 N LEU A 49 -14.749 1.327 -1.103 1.00 0.00 N ATOM 674 CA LEU A 49 -15.830 1.199 -2.065 1.00 0.00 C ATOM 675 C LEU A 49 -17.080 0.677 -1.353 1.00 0.00 C ATOM 676 O LEU A 49 -17.000 -0.250 -0.550 1.00 0.00 O ATOM 677 CB LEU A 49 -15.394 0.338 -3.252 1.00 0.00 C ATOM 678 CG LEU A 49 -16.348 0.310 -4.447 1.00 0.00 C ATOM 679 CD1 LEU A 49 -15.866 1.249 -5.555 1.00 0.00 C ATOM 680 CD2 LEU A 49 -16.549 -1.119 -4.954 1.00 0.00 C ATOM 0 H LEU A 49 -14.727 0.601 -0.387 1.00 0.00 H new ATOM 0 HA LEU A 49 -16.083 2.173 -2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -14.423 0.694 -3.596 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.253 -0.684 -2.901 1.00 0.00 H new ATOM 0 HG LEU A 49 -17.321 0.674 -4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -16.562 1.210 -6.393 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -15.816 2.268 -5.172 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -14.877 0.938 -5.890 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -17.232 -1.111 -5.804 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -15.590 -1.534 -5.263 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -16.969 -1.732 -4.157 1.00 0.00 H new ATOM 692 N VAL A 50 -18.207 1.296 -1.675 1.00 0.00 N ATOM 693 CA VAL A 50 -19.472 0.905 -1.077 1.00 0.00 C ATOM 694 C VAL A 50 -20.590 1.060 -2.110 1.00 0.00 C ATOM 695 O VAL A 50 -20.783 2.142 -2.663 1.00 0.00 O ATOM 696 CB VAL A 50 -19.720 1.715 0.198 1.00 0.00 C ATOM 697 CG1 VAL A 50 -18.743 2.887 0.302 1.00 0.00 C ATOM 698 CG2 VAL A 50 -21.169 2.201 0.265 1.00 0.00 C ATOM 0 H VAL A 50 -18.270 2.065 -2.342 1.00 0.00 H new ATOM 0 HA VAL A 50 -19.446 -0.144 -0.781 1.00 0.00 H new ATOM 0 HB VAL A 50 -19.547 1.059 1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -18.941 3.446 1.217 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -17.721 2.508 0.322 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -18.869 3.544 -0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -21.319 2.774 1.180 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -21.381 2.833 -0.597 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -21.841 1.343 0.260 1.00 0.00 H new ATOM 708 N ASP A 51 -21.296 -0.037 -2.339 1.00 0.00 N ATOM 709 CA ASP A 51 -22.389 -0.036 -3.297 1.00 0.00 C ATOM 710 C ASP A 51 -23.654 0.496 -2.620 1.00 0.00 C ATOM 711 O ASP A 51 -23.814 0.368 -1.407 1.00 0.00 O ATOM 712 CB ASP A 51 -22.682 -1.451 -3.800 1.00 0.00 C ATOM 713 CG ASP A 51 -22.886 -1.571 -5.311 1.00 0.00 C ATOM 714 OD1 ASP A 51 -23.685 -0.769 -5.841 1.00 0.00 O ATOM 715 OD2 ASP A 51 -22.238 -2.462 -5.903 1.00 0.00 O ATOM 0 H ASP A 51 -21.133 -0.932 -1.878 1.00 0.00 H new ATOM 0 HA ASP A 51 -22.099 0.593 -4.139 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -21.859 -2.102 -3.507 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -23.576 -1.821 -3.297 1.00 0.00 H new ATOM 720 N ILE A 52 -24.521 1.081 -3.433 1.00 0.00 N ATOM 721 CA ILE A 52 -25.766 1.633 -2.928 1.00 0.00 C ATOM 722 C ILE A 52 -26.883 0.601 -3.100 1.00 0.00 C ATOM 723 O ILE A 52 -27.811 0.546 -2.294 1.00 0.00 O ATOM 724 CB ILE A 52 -26.065 2.978 -3.593 1.00 0.00 C ATOM 725 CG1 ILE A 52 -27.434 3.510 -3.163 1.00 0.00 C ATOM 726 CG2 ILE A 52 -25.942 2.877 -5.115 1.00 0.00 C ATOM 727 CD1 ILE A 52 -27.347 4.985 -2.763 1.00 0.00 C ATOM 0 H ILE A 52 -24.386 1.185 -4.439 1.00 0.00 H new ATOM 0 HA ILE A 52 -25.685 1.842 -1.861 1.00 0.00 H new ATOM 0 HB ILE A 52 -25.319 3.698 -3.257 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -28.147 3.392 -3.979 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -27.809 2.923 -2.324 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -26.160 3.847 -5.563 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -24.929 2.575 -5.379 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -26.650 2.138 -5.489 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -28.333 5.339 -2.462 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -26.652 5.096 -1.931 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -26.994 5.572 -3.611 1.00 0.00 H new ATOM 739 N VAL A 53 -26.756 -0.192 -4.154 1.00 0.00 N ATOM 740 CA VAL A 53 -27.743 -1.219 -4.441 1.00 0.00 C ATOM 741 C VAL A 53 -27.451 -2.453 -3.585 1.00 0.00 C ATOM 742 O VAL A 53 -28.281 -2.860 -2.773 1.00 0.00 O ATOM 743 CB VAL A 53 -27.762 -1.522 -5.940 1.00 0.00 C ATOM 744 CG1 VAL A 53 -28.328 -2.917 -6.211 1.00 0.00 C ATOM 745 CG2 VAL A 53 -28.546 -0.454 -6.706 1.00 0.00 C ATOM 0 H VAL A 53 -25.985 -0.144 -4.820 1.00 0.00 H new ATOM 0 HA VAL A 53 -28.743 -0.872 -4.181 1.00 0.00 H new ATOM 0 HB VAL A 53 -26.733 -1.503 -6.298 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -28.330 -3.107 -7.284 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -27.710 -3.664 -5.712 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -29.348 -2.976 -5.830 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -28.544 -0.694 -7.769 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -29.573 -0.426 -6.342 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -28.080 0.519 -6.553 1.00 0.00 H new ATOM 755 N LYS A 54 -26.270 -3.015 -3.797 1.00 0.00 N ATOM 756 CA LYS A 54 -25.859 -4.195 -3.055 1.00 0.00 C ATOM 757 C LYS A 54 -25.758 -3.848 -1.568 1.00 0.00 C ATOM 758 O LYS A 54 -25.683 -4.738 -0.723 1.00 0.00 O ATOM 759 CB LYS A 54 -24.569 -4.773 -3.640 1.00 0.00 C ATOM 760 CG LYS A 54 -24.823 -5.403 -5.012 1.00 0.00 C ATOM 761 CD LYS A 54 -24.847 -6.930 -4.918 1.00 0.00 C ATOM 762 CE LYS A 54 -24.263 -7.566 -6.181 1.00 0.00 C ATOM 763 NZ LYS A 54 -25.249 -8.477 -6.806 1.00 0.00 N ATOM 0 H LYS A 54 -25.585 -2.675 -4.472 1.00 0.00 H new ATOM 0 HA LYS A 54 -26.606 -4.983 -3.149 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -23.821 -3.985 -3.730 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -24.162 -5.522 -2.961 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -25.772 -5.045 -5.411 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -24.046 -5.090 -5.709 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -24.277 -7.253 -4.047 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -25.872 -7.273 -4.774 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -23.978 -6.788 -6.889 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -23.356 -8.117 -5.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -24.837 -8.900 -7.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -25.501 -9.230 -6.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -26.103 -7.941 -7.062 1.00 0.00 H new ATOM 777 N GLY A 55 -25.760 -2.551 -1.295 1.00 0.00 N ATOM 778 CA GLY A 55 -25.669 -2.076 0.075 1.00 0.00 C ATOM 779 C GLY A 55 -24.445 -2.663 0.780 1.00 0.00 C ATOM 780 O GLY A 55 -24.392 -2.706 2.008 1.00 0.00 O ATOM 0 H GLY A 55 -25.823 -1.815 -1.999 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -25.610 -0.988 0.083 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -26.573 -2.350 0.619 1.00 0.00 H new ATOM 784 N THR A 56 -23.490 -3.101 -0.028 1.00 0.00 N ATOM 785 CA THR A 56 -22.270 -3.684 0.503 1.00 0.00 C ATOM 786 C THR A 56 -21.164 -2.630 0.579 1.00 0.00 C ATOM 787 O THR A 56 -20.922 -1.908 -0.387 1.00 0.00 O ATOM 788 CB THR A 56 -21.903 -4.887 -0.368 1.00 0.00 C ATOM 789 OG1 THR A 56 -22.238 -4.474 -1.690 1.00 0.00 O ATOM 790 CG2 THR A 56 -22.810 -6.093 -0.114 1.00 0.00 C ATOM 0 H THR A 56 -23.537 -3.064 -1.046 1.00 0.00 H new ATOM 0 HA THR A 56 -22.412 -4.035 1.525 1.00 0.00 H new ATOM 0 HB THR A 56 -20.866 -5.167 -0.181 1.00 0.00 H new ATOM 0 HG1 THR A 56 -22.030 -5.195 -2.320 1.00 0.00 H new ATOM 0 HG21 THR A 56 -22.506 -6.919 -0.758 1.00 0.00 H new ATOM 0 HG22 THR A 56 -22.727 -6.397 0.929 1.00 0.00 H new ATOM 0 HG23 THR A 56 -23.843 -5.824 -0.333 1.00 0.00 H new ATOM 798 N ASN A 57 -20.522 -2.574 1.737 1.00 0.00 N ATOM 799 CA ASN A 57 -19.448 -1.620 1.952 1.00 0.00 C ATOM 800 C ASN A 57 -18.112 -2.364 1.995 1.00 0.00 C ATOM 801 O ASN A 57 -17.994 -3.400 2.648 1.00 0.00 O ATOM 802 CB ASN A 57 -19.622 -0.885 3.282 1.00 0.00 C ATOM 803 CG ASN A 57 -20.669 0.225 3.162 1.00 0.00 C ATOM 804 OD1 ASN A 57 -21.651 0.113 2.447 1.00 0.00 O ATOM 805 ND2 ASN A 57 -20.404 1.300 3.900 1.00 0.00 N ATOM 0 H ASN A 57 -20.725 -3.174 2.536 1.00 0.00 H new ATOM 0 HA ASN A 57 -19.470 -0.898 1.135 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -19.923 -1.592 4.055 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -18.668 -0.458 3.593 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -21.042 2.096 3.889 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -19.563 1.328 4.477 1.00 0.00 H new ATOM 812 N SER A 58 -17.138 -1.807 1.290 1.00 0.00 N ATOM 813 CA SER A 58 -15.814 -2.405 1.239 1.00 0.00 C ATOM 814 C SER A 58 -14.754 -1.360 1.593 1.00 0.00 C ATOM 815 O SER A 58 -15.007 -0.159 1.505 1.00 0.00 O ATOM 816 CB SER A 58 -15.532 -3.001 -0.141 1.00 0.00 C ATOM 817 OG SER A 58 -14.148 -3.281 -0.329 1.00 0.00 O ATOM 0 H SER A 58 -17.239 -0.948 0.749 1.00 0.00 H new ATOM 0 HA SER A 58 -15.775 -3.214 1.969 1.00 0.00 H new ATOM 0 HB2 SER A 58 -16.107 -3.919 -0.264 1.00 0.00 H new ATOM 0 HB3 SER A 58 -15.869 -2.307 -0.911 1.00 0.00 H new ATOM 0 HG SER A 58 -14.009 -3.661 -1.221 1.00 0.00 H new ATOM 823 N TYR A 59 -13.589 -1.854 1.985 1.00 0.00 N ATOM 824 CA TYR A 59 -12.490 -0.978 2.352 1.00 0.00 C ATOM 825 C TYR A 59 -11.141 -1.655 2.098 1.00 0.00 C ATOM 826 O TYR A 59 -10.838 -2.686 2.696 1.00 0.00 O ATOM 827 CB TYR A 59 -12.641 -0.717 3.852 1.00 0.00 C ATOM 828 CG TYR A 59 -12.157 -1.868 4.736 1.00 0.00 C ATOM 829 CD1 TYR A 59 -10.835 -1.929 5.125 1.00 0.00 C ATOM 830 CD2 TYR A 59 -13.043 -2.844 5.144 1.00 0.00 C ATOM 831 CE1 TYR A 59 -10.379 -3.013 5.957 1.00 0.00 C ATOM 832 CE2 TYR A 59 -12.588 -3.927 5.977 1.00 0.00 C ATOM 833 CZ TYR A 59 -11.278 -3.958 6.342 1.00 0.00 C ATOM 834 OH TYR A 59 -10.848 -4.981 7.128 1.00 0.00 O ATOM 0 H TYR A 59 -13.382 -2.850 2.056 1.00 0.00 H new ATOM 0 HA TYR A 59 -12.517 -0.061 1.763 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -12.086 0.185 4.111 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -13.690 -0.520 4.072 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.142 -1.164 4.806 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -14.078 -2.796 4.839 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.347 -3.074 6.268 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -13.271 -4.697 6.304 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.598 -5.579 7.326 1.00 0.00 H new ATOM 844 N TYR A 60 -10.368 -1.048 1.210 1.00 0.00 N ATOM 845 CA TYR A 60 -9.059 -1.579 0.870 1.00 0.00 C ATOM 846 C TYR A 60 -7.945 -0.700 1.442 1.00 0.00 C ATOM 847 O TYR A 60 -8.070 0.523 1.475 1.00 0.00 O ATOM 848 CB TYR A 60 -8.978 -1.554 -0.658 1.00 0.00 C ATOM 849 CG TYR A 60 -7.788 -2.326 -1.231 1.00 0.00 C ATOM 850 CD1 TYR A 60 -7.907 -3.672 -1.509 1.00 0.00 C ATOM 851 CD2 TYR A 60 -6.594 -1.676 -1.469 1.00 0.00 C ATOM 852 CE1 TYR A 60 -6.787 -4.399 -2.048 1.00 0.00 C ATOM 853 CE2 TYR A 60 -5.474 -2.402 -2.008 1.00 0.00 C ATOM 854 CZ TYR A 60 -5.625 -3.728 -2.271 1.00 0.00 C ATOM 855 OH TYR A 60 -4.567 -4.414 -2.780 1.00 0.00 O ATOM 0 H TYR A 60 -10.623 -0.193 0.715 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.933 -2.581 1.279 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -9.899 -1.970 -1.067 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -8.920 -0.518 -0.992 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -8.841 -4.181 -1.322 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.500 -0.622 -1.251 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.868 -5.453 -2.270 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.535 -1.905 -2.199 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.202 -3.929 -3.549 1.00 0.00 H new ATOM 865 N LYS A 61 -6.881 -1.358 1.878 1.00 0.00 N ATOM 866 CA LYS A 61 -5.746 -0.652 2.448 1.00 0.00 C ATOM 867 C LYS A 61 -4.458 -1.153 1.791 1.00 0.00 C ATOM 868 O LYS A 61 -4.231 -2.358 1.701 1.00 0.00 O ATOM 869 CB LYS A 61 -5.748 -0.776 3.973 1.00 0.00 C ATOM 870 CG LYS A 61 -5.945 0.590 4.633 1.00 0.00 C ATOM 871 CD LYS A 61 -4.705 1.469 4.458 1.00 0.00 C ATOM 872 CE LYS A 61 -4.221 2.010 5.804 1.00 0.00 C ATOM 873 NZ LYS A 61 -4.922 3.270 6.139 1.00 0.00 N ATOM 0 H LYS A 61 -6.781 -2.373 1.848 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.817 0.415 2.239 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.543 -1.453 4.285 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.807 -1.213 4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.812 1.087 4.197 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.154 0.458 5.695 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.909 0.892 3.987 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.935 2.299 3.790 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.398 1.270 6.585 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.146 2.184 5.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.224 3.999 6.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.476 3.588 5.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.559 3.109 6.945 1.00 0.00 H new ATOM 887 N LEU A 62 -3.648 -0.202 1.350 1.00 0.00 N ATOM 888 CA LEU A 62 -2.389 -0.532 0.704 1.00 0.00 C ATOM 889 C LEU A 62 -1.255 0.238 1.385 1.00 0.00 C ATOM 890 O LEU A 62 -1.351 1.449 1.579 1.00 0.00 O ATOM 891 CB LEU A 62 -2.479 -0.287 -0.803 1.00 0.00 C ATOM 892 CG LEU A 62 -1.449 -1.021 -1.665 1.00 0.00 C ATOM 893 CD1 LEU A 62 -1.897 -2.455 -1.953 1.00 0.00 C ATOM 894 CD2 LEU A 62 -1.154 -0.243 -2.948 1.00 0.00 C ATOM 0 H LEU A 62 -3.839 0.797 1.427 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.169 -1.593 0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.475 -0.574 -1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.378 0.783 -0.984 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.516 -1.082 -1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.147 -2.954 -2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.015 -2.995 -1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.849 -2.439 -2.484 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.419 -0.786 -3.542 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.073 -0.128 -3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.759 0.741 -2.694 1.00 0.00 H new ATOM 906 N GLN A 63 -0.207 -0.496 1.729 1.00 0.00 N ATOM 907 CA GLN A 63 0.944 0.102 2.383 1.00 0.00 C ATOM 908 C GLN A 63 2.216 -0.673 2.033 1.00 0.00 C ATOM 909 O GLN A 63 2.390 -1.813 2.460 1.00 0.00 O ATOM 910 CB GLN A 63 0.741 0.166 3.899 1.00 0.00 C ATOM 911 CG GLN A 63 -0.260 1.262 4.272 1.00 0.00 C ATOM 912 CD GLN A 63 0.030 1.818 5.667 1.00 0.00 C ATOM 913 OE1 GLN A 63 1.086 2.625 5.719 1.00 0.00 O flip ATOM 914 NE2 GLN A 63 -0.658 1.532 6.633 1.00 0.00 N flip ATOM 0 H GLN A 63 -0.131 -1.500 1.567 1.00 0.00 H new ATOM 0 HA GLN A 63 1.053 1.124 2.020 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.383 -0.797 4.263 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.695 0.358 4.390 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.213 2.067 3.539 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.273 0.861 4.240 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.456 0.906 6.524 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.436 1.919 7.550 1.00 0.00 H new ATOM 923 N LEU A 64 3.073 -0.022 1.260 1.00 0.00 N ATOM 924 CA LEU A 64 4.324 -0.635 0.848 1.00 0.00 C ATOM 925 C LEU A 64 5.390 -0.374 1.913 1.00 0.00 C ATOM 926 O LEU A 64 6.027 0.679 1.914 1.00 0.00 O ATOM 927 CB LEU A 64 4.720 -0.156 -0.550 1.00 0.00 C ATOM 928 CG LEU A 64 5.714 -1.041 -1.306 1.00 0.00 C ATOM 929 CD1 LEU A 64 5.890 -0.560 -2.747 1.00 0.00 C ATOM 930 CD2 LEU A 64 7.049 -1.125 -0.562 1.00 0.00 C ATOM 0 H LEU A 64 2.925 0.924 0.908 1.00 0.00 H new ATOM 0 HA LEU A 64 4.211 -1.716 0.769 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.815 -0.065 -1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.147 0.843 -0.463 1.00 0.00 H new ATOM 0 HG LEU A 64 5.307 -2.051 -1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.601 -1.206 -3.262 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.930 -0.594 -3.262 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.265 0.464 -2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.737 -1.760 -1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.475 -0.126 -0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.887 -1.549 0.429 1.00 0.00 H new ATOM 942 N LEU A 65 5.553 -1.350 2.794 1.00 0.00 N ATOM 943 CA LEU A 65 6.531 -1.238 3.862 1.00 0.00 C ATOM 944 C LEU A 65 7.920 -1.571 3.313 1.00 0.00 C ATOM 945 O LEU A 65 8.056 -2.421 2.434 1.00 0.00 O ATOM 946 CB LEU A 65 6.120 -2.100 5.058 1.00 0.00 C ATOM 947 CG LEU A 65 4.645 -2.033 5.457 1.00 0.00 C ATOM 948 CD1 LEU A 65 4.374 -2.887 6.698 1.00 0.00 C ATOM 949 CD2 LEU A 65 4.194 -0.584 5.648 1.00 0.00 C ATOM 0 H LEU A 65 5.024 -2.222 2.790 1.00 0.00 H new ATOM 0 HA LEU A 65 6.572 -0.215 4.235 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.369 -3.138 4.835 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.722 -1.805 5.917 1.00 0.00 H new ATOM 0 HG LEU A 65 4.051 -2.450 4.643 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.318 -2.822 6.961 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.633 -3.925 6.489 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.978 -2.523 7.529 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.142 -0.565 5.931 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.790 -0.118 6.433 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.329 -0.035 4.716 1.00 0.00 H new ATOM 961 N GLU A 66 8.916 -0.883 3.853 1.00 0.00 N ATOM 962 CA GLU A 66 10.289 -1.095 3.427 1.00 0.00 C ATOM 963 C GLU A 66 11.165 -1.464 4.626 1.00 0.00 C ATOM 964 O GLU A 66 10.915 -1.015 5.744 1.00 0.00 O ATOM 965 CB GLU A 66 10.836 0.139 2.707 1.00 0.00 C ATOM 966 CG GLU A 66 11.109 1.274 3.696 1.00 0.00 C ATOM 967 CD GLU A 66 11.771 2.463 2.996 1.00 0.00 C ATOM 968 OE1 GLU A 66 12.844 2.242 2.395 1.00 0.00 O ATOM 969 OE2 GLU A 66 11.189 3.566 3.079 1.00 0.00 O ATOM 0 H GLU A 66 8.799 -0.179 4.581 1.00 0.00 H new ATOM 0 HA GLU A 66 10.306 -1.925 2.720 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.755 -0.120 2.182 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.122 0.472 1.954 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.174 1.593 4.156 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.753 0.915 4.499 1.00 0.00 H new ATOM 976 N ASP A 67 12.173 -2.280 4.353 1.00 0.00 N ATOM 977 CA ASP A 67 13.087 -2.715 5.395 1.00 0.00 C ATOM 978 C ASP A 67 13.862 -1.506 5.924 1.00 0.00 C ATOM 979 O ASP A 67 14.324 -0.672 5.147 1.00 0.00 O ATOM 980 CB ASP A 67 14.099 -3.726 4.853 1.00 0.00 C ATOM 981 CG ASP A 67 15.410 -3.812 5.637 1.00 0.00 C ATOM 982 OD1 ASP A 67 15.323 -3.906 6.881 1.00 0.00 O ATOM 983 OD2 ASP A 67 16.470 -3.782 4.975 1.00 0.00 O ATOM 0 H ASP A 67 12.377 -2.651 3.425 1.00 0.00 H new ATOM 0 HA ASP A 67 12.500 -3.182 6.186 1.00 0.00 H new ATOM 0 HB2 ASP A 67 13.635 -4.712 4.842 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.328 -3.470 3.819 1.00 0.00 H new ATOM 988 N ASP A 68 13.982 -1.451 7.242 1.00 0.00 N ATOM 989 CA ASP A 68 14.693 -0.359 7.884 1.00 0.00 C ATOM 990 C ASP A 68 16.115 -0.282 7.323 1.00 0.00 C ATOM 991 O ASP A 68 16.652 0.808 7.131 1.00 0.00 O ATOM 992 CB ASP A 68 14.793 -0.578 9.395 1.00 0.00 C ATOM 993 CG ASP A 68 14.193 0.539 10.252 1.00 0.00 C ATOM 994 OD1 ASP A 68 14.776 1.644 10.232 1.00 0.00 O ATOM 995 OD2 ASP A 68 13.165 0.262 10.907 1.00 0.00 O ATOM 0 H ASP A 68 13.599 -2.145 7.883 1.00 0.00 H new ATOM 0 HA ASP A 68 14.143 0.561 7.689 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.295 -1.515 9.645 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.843 -0.695 9.661 1.00 0.00 H new ATOM 1051 N ARG A 72 14.939 -5.326 1.899 1.00 0.00 N ATOM 1052 CA ARG A 72 13.781 -6.187 1.730 1.00 0.00 C ATOM 1053 C ARG A 72 12.495 -5.410 2.021 1.00 0.00 C ATOM 1054 O ARG A 72 12.408 -4.699 3.021 1.00 0.00 O ATOM 1055 CB ARG A 72 13.857 -7.400 2.658 1.00 0.00 C ATOM 1056 CG ARG A 72 12.899 -8.502 2.199 1.00 0.00 C ATOM 1057 CD ARG A 72 12.343 -9.278 3.395 1.00 0.00 C ATOM 1058 NE ARG A 72 12.943 -10.630 3.443 1.00 0.00 N ATOM 1059 CZ ARG A 72 14.167 -10.892 3.920 1.00 0.00 C ATOM 1060 NH1 ARG A 72 14.930 -9.897 4.391 1.00 0.00 N ATOM 1061 NH2 ARG A 72 14.629 -12.150 3.925 1.00 0.00 N ATOM 0 HA ARG A 72 13.774 -6.534 0.697 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.877 -7.784 2.677 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.610 -7.099 3.676 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.078 -8.062 1.633 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.420 -9.185 1.528 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.559 -8.742 4.319 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.259 -9.355 3.317 1.00 0.00 H new ATOM 0 HE ARG A 72 12.390 -11.411 3.091 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.579 -8.939 4.387 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.862 -10.097 4.754 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.049 -12.908 3.566 1.00 0.00 H new ATOM 0 HH22 ARG A 72 15.561 -12.350 4.288 1.00 0.00 H new ATOM 1075 N TYR A 73 11.529 -5.573 1.129 1.00 0.00 N ATOM 1076 CA TYR A 73 10.251 -4.896 1.278 1.00 0.00 C ATOM 1077 C TYR A 73 9.102 -5.903 1.343 1.00 0.00 C ATOM 1078 O TYR A 73 9.275 -7.071 1.000 1.00 0.00 O ATOM 1079 CB TYR A 73 10.085 -4.030 0.028 1.00 0.00 C ATOM 1080 CG TYR A 73 11.061 -2.855 -0.050 1.00 0.00 C ATOM 1081 CD1 TYR A 73 12.415 -3.089 -0.172 1.00 0.00 C ATOM 1082 CD2 TYR A 73 10.587 -1.559 0.003 1.00 0.00 C ATOM 1083 CE1 TYR A 73 13.334 -1.983 -0.245 1.00 0.00 C ATOM 1084 CE2 TYR A 73 11.506 -0.453 -0.070 1.00 0.00 C ATOM 1085 CZ TYR A 73 12.834 -0.719 -0.191 1.00 0.00 C ATOM 1086 OH TYR A 73 13.702 0.326 -0.259 1.00 0.00 O ATOM 0 H TYR A 73 11.605 -6.164 0.301 1.00 0.00 H new ATOM 0 HA TYR A 73 10.231 -4.311 2.197 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.215 -4.656 -0.855 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.066 -3.645 -0.002 1.00 0.00 H new ATOM 0 HD1 TYR A 73 12.786 -4.102 -0.213 1.00 0.00 H new ATOM 0 HD2 TYR A 73 9.527 -1.375 0.099 1.00 0.00 H new ATOM 0 HE1 TYR A 73 14.396 -2.153 -0.340 1.00 0.00 H new ATOM 0 HE2 TYR A 73 11.148 0.565 -0.030 1.00 0.00 H new ATOM 0 HH TYR A 73 14.483 0.069 -0.793 1.00 0.00 H new ATOM 1096 N TRP A 74 7.953 -5.413 1.787 1.00 0.00 N ATOM 1097 CA TRP A 74 6.775 -6.256 1.901 1.00 0.00 C ATOM 1098 C TRP A 74 5.635 -5.582 1.134 1.00 0.00 C ATOM 1099 O TRP A 74 5.758 -4.432 0.716 1.00 0.00 O ATOM 1100 CB TRP A 74 6.432 -6.522 3.369 1.00 0.00 C ATOM 1101 CG TRP A 74 7.263 -7.635 4.010 1.00 0.00 C ATOM 1102 CD1 TRP A 74 6.984 -8.945 4.068 1.00 0.00 C ATOM 1103 CD2 TRP A 74 8.529 -7.482 4.686 1.00 0.00 C ATOM 1104 NE1 TRP A 74 7.973 -9.644 4.729 1.00 0.00 N ATOM 1105 CE2 TRP A 74 8.943 -8.726 5.117 1.00 0.00 C ATOM 1106 CE3 TRP A 74 9.299 -6.330 4.926 1.00 0.00 C ATOM 1107 CZ2 TRP A 74 10.138 -8.937 5.814 1.00 0.00 C ATOM 1108 CZ3 TRP A 74 10.491 -6.558 5.624 1.00 0.00 C ATOM 1109 CH2 TRP A 74 10.922 -7.804 6.064 1.00 0.00 C ATOM 0 H TRP A 74 7.813 -4.444 2.072 1.00 0.00 H new ATOM 0 HA TRP A 74 6.958 -7.237 1.462 1.00 0.00 H new ATOM 0 HB2 TRP A 74 6.575 -5.603 3.937 1.00 0.00 H new ATOM 0 HB3 TRP A 74 5.376 -6.782 3.443 1.00 0.00 H new ATOM 0 HD1 TRP A 74 6.096 -9.396 3.650 1.00 0.00 H new ATOM 0 HE1 TRP A 74 7.990 -10.649 4.901 1.00 0.00 H new ATOM 0 HE3 TRP A 74 8.995 -5.347 4.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 10.439 -9.921 6.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 11.120 -5.706 5.835 1.00 0.00 H new ATOM 0 HH2 TRP A 74 11.857 -7.898 6.596 1.00 0.00 H new ATOM 1120 N ILE A 75 4.552 -6.328 0.972 1.00 0.00 N ATOM 1121 CA ILE A 75 3.392 -5.817 0.262 1.00 0.00 C ATOM 1122 C ILE A 75 2.129 -6.130 1.067 1.00 0.00 C ATOM 1123 O ILE A 75 1.596 -7.236 0.988 1.00 0.00 O ATOM 1124 CB ILE A 75 3.358 -6.357 -1.169 1.00 0.00 C ATOM 1125 CG1 ILE A 75 4.346 -5.605 -2.062 1.00 0.00 C ATOM 1126 CG2 ILE A 75 1.937 -6.327 -1.734 1.00 0.00 C ATOM 1127 CD1 ILE A 75 3.800 -4.228 -2.446 1.00 0.00 C ATOM 0 H ILE A 75 4.454 -7.282 1.320 1.00 0.00 H new ATOM 0 HA ILE A 75 3.451 -4.733 0.167 1.00 0.00 H new ATOM 0 HB ILE A 75 3.673 -7.400 -1.147 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.297 -5.491 -1.542 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.543 -6.186 -2.963 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.942 -6.716 -2.752 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.286 -6.942 -1.113 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.569 -5.301 -1.740 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.522 -3.714 -3.081 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.861 -4.347 -2.987 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.627 -3.641 -1.544 1.00 0.00 H new ATOM 1139 N PHE A 76 1.686 -5.136 1.823 1.00 0.00 N ATOM 1140 CA PHE A 76 0.496 -5.291 2.642 1.00 0.00 C ATOM 1141 C PHE A 76 -0.755 -4.847 1.880 1.00 0.00 C ATOM 1142 O PHE A 76 -0.727 -3.850 1.160 1.00 0.00 O ATOM 1143 CB PHE A 76 0.676 -4.394 3.868 1.00 0.00 C ATOM 1144 CG PHE A 76 -0.498 -4.437 4.849 1.00 0.00 C ATOM 1145 CD1 PHE A 76 -1.589 -3.653 4.637 1.00 0.00 C ATOM 1146 CD2 PHE A 76 -0.450 -5.259 5.931 1.00 0.00 C ATOM 1147 CE1 PHE A 76 -2.678 -3.693 5.547 1.00 0.00 C ATOM 1148 CE2 PHE A 76 -1.540 -5.298 6.841 1.00 0.00 C ATOM 1149 CZ PHE A 76 -2.631 -4.515 6.630 1.00 0.00 C ATOM 0 H PHE A 76 2.130 -4.220 1.885 1.00 0.00 H new ATOM 0 HA PHE A 76 0.369 -6.338 2.919 1.00 0.00 H new ATOM 0 HB2 PHE A 76 1.585 -4.690 4.392 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.821 -3.366 3.535 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.627 -3.001 3.777 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.416 -5.882 6.098 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.544 -3.070 5.379 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.502 -5.950 7.701 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.460 -4.545 7.322 1.00 0.00 H new ATOM 1159 N ARG A 77 -1.823 -5.609 2.065 1.00 0.00 N ATOM 1160 CA ARG A 77 -3.081 -5.307 1.405 1.00 0.00 C ATOM 1161 C ARG A 77 -4.254 -5.853 2.222 1.00 0.00 C ATOM 1162 O ARG A 77 -4.389 -7.065 2.387 1.00 0.00 O ATOM 1163 CB ARG A 77 -3.124 -5.910 -0.001 1.00 0.00 C ATOM 1164 CG ARG A 77 -1.851 -6.705 -0.296 1.00 0.00 C ATOM 1165 CD ARG A 77 -1.892 -7.305 -1.703 1.00 0.00 C ATOM 1166 NE ARG A 77 -2.633 -8.586 -1.685 1.00 0.00 N ATOM 1167 CZ ARG A 77 -2.653 -9.456 -2.704 1.00 0.00 C ATOM 1168 NH1 ARG A 77 -1.974 -9.189 -3.827 1.00 0.00 N ATOM 1169 NH2 ARG A 77 -3.354 -10.594 -2.600 1.00 0.00 N ATOM 0 H ARG A 77 -1.843 -6.435 2.663 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.162 -4.223 1.326 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.993 -6.561 -0.095 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.240 -5.115 -0.738 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.982 -6.055 -0.199 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.737 -7.501 0.439 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.371 -6.608 -2.391 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.878 -7.467 -2.068 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.161 -8.821 -0.845 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.441 -8.323 -3.907 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.990 -9.852 -4.602 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.872 -10.798 -1.745 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.369 -11.256 -3.376 1.00 0.00 H new ATOM 1183 N SER A 78 -5.073 -4.933 2.710 1.00 0.00 N ATOM 1184 CA SER A 78 -6.230 -5.307 3.506 1.00 0.00 C ATOM 1185 C SER A 78 -7.509 -5.120 2.689 1.00 0.00 C ATOM 1186 O SER A 78 -7.590 -4.221 1.852 1.00 0.00 O ATOM 1187 CB SER A 78 -6.299 -4.488 4.796 1.00 0.00 C ATOM 1188 OG SER A 78 -7.301 -3.477 4.734 1.00 0.00 O ATOM 0 H SER A 78 -4.958 -3.929 2.570 1.00 0.00 H new ATOM 0 HA SER A 78 -6.132 -6.357 3.780 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.505 -5.151 5.636 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.330 -4.027 4.985 1.00 0.00 H new ATOM 0 HG SER A 78 -7.314 -2.977 5.577 1.00 0.00 H new ATOM 1194 N TRP A 79 -8.478 -5.982 2.960 1.00 0.00 N ATOM 1195 CA TRP A 79 -9.750 -5.922 2.260 1.00 0.00 C ATOM 1196 C TRP A 79 -10.802 -6.612 3.132 1.00 0.00 C ATOM 1197 O TRP A 79 -10.463 -7.290 4.101 1.00 0.00 O ATOM 1198 CB TRP A 79 -9.637 -6.535 0.863 1.00 0.00 C ATOM 1199 CG TRP A 79 -9.432 -8.052 0.863 1.00 0.00 C ATOM 1200 CD1 TRP A 79 -10.365 -9.010 0.954 1.00 0.00 C ATOM 1201 CD2 TRP A 79 -8.173 -8.749 0.764 1.00 0.00 C ATOM 1202 NE1 TRP A 79 -9.801 -10.269 0.921 1.00 0.00 N ATOM 1203 CE2 TRP A 79 -8.425 -10.106 0.801 1.00 0.00 C ATOM 1204 CE3 TRP A 79 -6.863 -8.251 0.646 1.00 0.00 C ATOM 1205 CZ2 TRP A 79 -7.418 -11.075 0.726 1.00 0.00 C ATOM 1206 CZ3 TRP A 79 -5.868 -9.233 0.572 1.00 0.00 C ATOM 1207 CH2 TRP A 79 -6.106 -10.602 0.608 1.00 0.00 C ATOM 0 H TRP A 79 -8.408 -6.726 3.655 1.00 0.00 H new ATOM 0 HA TRP A 79 -10.054 -4.887 2.100 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -10.541 -6.301 0.301 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.805 -6.066 0.338 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.425 -8.820 1.042 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -10.301 -11.156 0.975 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -6.642 -7.194 0.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -7.641 -12.131 0.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -4.843 -8.904 0.481 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -5.282 -11.298 0.545 1.00 0.00 H new ATOM 1218 N GLY A 80 -12.057 -6.415 2.756 1.00 0.00 N ATOM 1219 CA GLY A 80 -13.160 -7.009 3.492 1.00 0.00 C ATOM 1220 C GLY A 80 -14.279 -5.990 3.720 1.00 0.00 C ATOM 1221 O GLY A 80 -14.043 -4.784 3.678 1.00 0.00 O ATOM 0 H GLY A 80 -12.334 -5.853 1.952 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.550 -7.865 2.942 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.802 -7.383 4.452 1.00 0.00 H new ATOM 1225 N ARG A 81 -15.473 -6.513 3.957 1.00 0.00 N ATOM 1226 CA ARG A 81 -16.628 -5.664 4.193 1.00 0.00 C ATOM 1227 C ARG A 81 -16.389 -4.766 5.408 1.00 0.00 C ATOM 1228 O ARG A 81 -15.447 -4.984 6.169 1.00 0.00 O ATOM 1229 CB ARG A 81 -17.888 -6.501 4.426 1.00 0.00 C ATOM 1230 CG ARG A 81 -18.819 -6.440 3.214 1.00 0.00 C ATOM 1231 CD ARG A 81 -18.712 -7.716 2.376 1.00 0.00 C ATOM 1232 NE ARG A 81 -19.603 -8.761 2.929 1.00 0.00 N ATOM 1233 CZ ARG A 81 -20.024 -9.831 2.240 1.00 0.00 C ATOM 1234 NH1 ARG A 81 -19.638 -10.003 0.969 1.00 0.00 N ATOM 1235 NH2 ARG A 81 -20.830 -10.727 2.823 1.00 0.00 N ATOM 0 H ARG A 81 -15.665 -7.514 3.991 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.773 -5.048 3.305 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -17.610 -7.536 4.623 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -18.412 -6.138 5.310 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -19.848 -6.305 3.548 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -18.567 -5.575 2.600 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -18.983 -7.505 1.342 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -17.682 -8.071 2.369 1.00 0.00 H new ATOM 0 HE ARG A 81 -19.916 -8.661 3.895 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -19.024 -9.320 0.526 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -19.958 -10.817 0.444 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -21.123 -10.595 3.791 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -21.151 -11.541 2.299 1.00 0.00 H new ATOM 1328 N SER A 88 -9.796 -9.556 5.938 1.00 0.00 N ATOM 1329 CA SER A 88 -8.538 -10.280 5.864 1.00 0.00 C ATOM 1330 C SER A 88 -7.439 -9.365 5.320 1.00 0.00 C ATOM 1331 O SER A 88 -7.724 -8.287 4.801 1.00 0.00 O ATOM 1332 CB SER A 88 -8.672 -11.528 4.990 1.00 0.00 C ATOM 1333 OG SER A 88 -8.881 -12.704 5.766 1.00 0.00 O ATOM 0 HA SER A 88 -8.268 -10.602 6.870 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.504 -11.398 4.298 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.772 -11.647 4.387 1.00 0.00 H new ATOM 0 HG SER A 88 -8.963 -13.478 5.171 1.00 0.00 H new ATOM 1339 N ASN A 89 -6.206 -9.829 5.457 1.00 0.00 N ATOM 1340 CA ASN A 89 -5.062 -9.067 4.985 1.00 0.00 C ATOM 1341 C ASN A 89 -4.119 -9.993 4.215 1.00 0.00 C ATOM 1342 O ASN A 89 -4.324 -11.206 4.182 1.00 0.00 O ATOM 1343 CB ASN A 89 -4.282 -8.464 6.155 1.00 0.00 C ATOM 1344 CG ASN A 89 -3.953 -9.529 7.202 1.00 0.00 C ATOM 1345 OD1 ASN A 89 -3.759 -10.695 6.899 1.00 0.00 O ATOM 1346 ND2 ASN A 89 -3.900 -9.066 8.447 1.00 0.00 N ATOM 0 H ASN A 89 -5.974 -10.724 5.888 1.00 0.00 H new ATOM 0 HA ASN A 89 -5.432 -8.265 4.346 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -3.360 -8.013 5.788 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -4.866 -7.666 6.614 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -3.687 -9.699 9.218 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -4.073 -8.078 8.631 1.00 0.00 H new ATOM 1353 N LYS A 90 -3.106 -9.387 3.615 1.00 0.00 N ATOM 1354 CA LYS A 90 -2.130 -10.142 2.847 1.00 0.00 C ATOM 1355 C LYS A 90 -0.767 -9.456 2.947 1.00 0.00 C ATOM 1356 O LYS A 90 -0.616 -8.304 2.542 1.00 0.00 O ATOM 1357 CB LYS A 90 -2.616 -10.340 1.410 1.00 0.00 C ATOM 1358 CG LYS A 90 -1.541 -11.014 0.555 1.00 0.00 C ATOM 1359 CD LYS A 90 -1.889 -12.481 0.293 1.00 0.00 C ATOM 1360 CE LYS A 90 -1.615 -13.339 1.529 1.00 0.00 C ATOM 1361 NZ LYS A 90 -1.361 -14.744 1.139 1.00 0.00 N ATOM 0 H LYS A 90 -2.939 -8.381 3.645 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.013 -11.144 3.260 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.521 -10.948 1.409 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.880 -9.376 0.975 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.441 -10.485 -0.393 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.577 -10.950 1.059 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.939 -12.565 0.013 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.304 -12.852 -0.549 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.755 -12.944 2.069 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.467 -13.292 2.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.177 -15.313 1.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.193 -15.122 0.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.534 -14.785 0.509 1.00 0.00 H new ATOM 1375 N LEU A 91 0.193 -10.192 3.488 1.00 0.00 N ATOM 1376 CA LEU A 91 1.539 -9.668 3.647 1.00 0.00 C ATOM 1377 C LEU A 91 2.510 -10.513 2.820 1.00 0.00 C ATOM 1378 O LEU A 91 2.716 -11.691 3.110 1.00 0.00 O ATOM 1379 CB LEU A 91 1.908 -9.579 5.129 1.00 0.00 C ATOM 1380 CG LEU A 91 3.183 -8.800 5.456 1.00 0.00 C ATOM 1381 CD1 LEU A 91 3.015 -7.314 5.134 1.00 0.00 C ATOM 1382 CD2 LEU A 91 3.607 -9.027 6.909 1.00 0.00 C ATOM 0 H LEU A 91 0.065 -11.147 3.822 1.00 0.00 H new ATOM 0 HA LEU A 91 1.599 -8.648 3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.077 -9.118 5.663 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.015 -10.592 5.518 1.00 0.00 H new ATOM 0 HG LEU A 91 3.986 -9.178 4.823 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.936 -6.783 5.376 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.795 -7.194 4.073 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.195 -6.904 5.723 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.516 -8.462 7.115 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.813 -8.693 7.576 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.795 -10.088 7.072 1.00 0.00 H new ATOM 1394 N GLU A 92 3.083 -9.879 1.808 1.00 0.00 N ATOM 1395 CA GLU A 92 4.028 -10.558 0.937 1.00 0.00 C ATOM 1396 C GLU A 92 5.424 -9.954 1.097 1.00 0.00 C ATOM 1397 O GLU A 92 5.568 -8.833 1.584 1.00 0.00 O ATOM 1398 CB GLU A 92 3.569 -10.500 -0.521 1.00 0.00 C ATOM 1399 CG GLU A 92 2.539 -11.593 -0.816 1.00 0.00 C ATOM 1400 CD GLU A 92 3.097 -12.619 -1.804 1.00 0.00 C ATOM 1401 OE1 GLU A 92 4.168 -13.182 -1.493 1.00 0.00 O ATOM 1402 OE2 GLU A 92 2.438 -12.817 -2.848 1.00 0.00 O ATOM 0 H GLU A 92 2.911 -8.902 1.571 1.00 0.00 H new ATOM 0 HA GLU A 92 4.072 -11.608 1.228 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.137 -9.522 -0.731 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.428 -10.617 -1.181 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.257 -12.092 0.111 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.634 -11.144 -1.225 1.00 0.00 H new ATOM 1409 N GLN A 93 6.418 -10.723 0.677 1.00 0.00 N ATOM 1410 CA GLN A 93 7.798 -10.278 0.768 1.00 0.00 C ATOM 1411 C GLN A 93 8.372 -10.039 -0.630 1.00 0.00 C ATOM 1412 O GLN A 93 8.441 -10.960 -1.443 1.00 0.00 O ATOM 1413 CB GLN A 93 8.649 -11.285 1.545 1.00 0.00 C ATOM 1414 CG GLN A 93 10.135 -10.929 1.459 1.00 0.00 C ATOM 1415 CD GLN A 93 10.863 -11.846 0.474 1.00 0.00 C ATOM 1416 OE1 GLN A 93 10.846 -13.060 0.588 1.00 0.00 O ATOM 1417 NE2 GLN A 93 11.500 -11.199 -0.498 1.00 0.00 N ATOM 0 H GLN A 93 6.295 -11.651 0.273 1.00 0.00 H new ATOM 0 HA GLN A 93 7.820 -9.335 1.315 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.335 -11.303 2.589 1.00 0.00 H new ATOM 0 HB3 GLN A 93 8.488 -12.287 1.147 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.246 -9.891 1.145 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.591 -11.014 2.446 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.474 -10.180 -0.535 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.015 -11.722 -1.207 1.00 0.00 H new ATOM 1426 N MET A 94 8.768 -8.798 -0.868 1.00 0.00 N ATOM 1427 CA MET A 94 9.334 -8.426 -2.154 1.00 0.00 C ATOM 1428 C MET A 94 10.851 -8.618 -2.162 1.00 0.00 C ATOM 1429 O MET A 94 11.510 -8.428 -1.141 1.00 0.00 O ATOM 1430 CB MET A 94 9.002 -6.962 -2.454 1.00 0.00 C ATOM 1431 CG MET A 94 7.561 -6.817 -2.947 1.00 0.00 C ATOM 1432 SD MET A 94 7.472 -7.188 -4.691 1.00 0.00 S ATOM 1433 CE MET A 94 6.174 -8.414 -4.681 1.00 0.00 C ATOM 0 H MET A 94 8.708 -8.036 -0.192 1.00 0.00 H new ATOM 0 HA MET A 94 8.902 -9.070 -2.920 1.00 0.00 H new ATOM 0 HB2 MET A 94 9.145 -6.361 -1.556 1.00 0.00 H new ATOM 0 HB3 MET A 94 9.689 -6.577 -3.208 1.00 0.00 H new ATOM 0 HG2 MET A 94 6.908 -7.489 -2.390 1.00 0.00 H new ATOM 0 HG3 MET A 94 7.206 -5.803 -2.764 1.00 0.00 H new ATOM 0 HE1 MET A 94 5.989 -8.756 -5.699 1.00 0.00 H new ATOM 0 HE2 MET A 94 6.477 -9.259 -4.063 1.00 0.00 H new ATOM 0 HE3 MET A 94 5.263 -7.976 -4.274 1.00 0.00 H new ATOM 1443 N PRO A 95 11.376 -9.001 -3.357 1.00 0.00 N ATOM 1444 CA PRO A 95 12.804 -9.220 -3.511 1.00 0.00 C ATOM 1445 C PRO A 95 13.560 -7.891 -3.566 1.00 0.00 C ATOM 1446 O PRO A 95 14.538 -7.699 -2.845 1.00 0.00 O ATOM 1447 CB PRO A 95 12.941 -10.035 -4.787 1.00 0.00 C ATOM 1448 CG PRO A 95 11.637 -9.845 -5.545 1.00 0.00 C ATOM 1449 CD PRO A 95 10.627 -9.234 -4.588 1.00 0.00 C ATOM 0 HA PRO A 95 13.242 -9.751 -2.666 1.00 0.00 H new ATOM 0 HB2 PRO A 95 13.790 -9.694 -5.379 1.00 0.00 H new ATOM 0 HB3 PRO A 95 13.112 -11.088 -4.562 1.00 0.00 H new ATOM 0 HG2 PRO A 95 11.788 -9.195 -6.407 1.00 0.00 H new ATOM 0 HG3 PRO A 95 11.274 -10.800 -5.925 1.00 0.00 H new ATOM 0 HD2 PRO A 95 10.218 -8.305 -4.984 1.00 0.00 H new ATOM 0 HD3 PRO A 95 9.786 -9.906 -4.418 1.00 0.00 H new ATOM 1457 N SER A 96 13.079 -7.008 -4.429 1.00 0.00 N ATOM 1458 CA SER A 96 13.697 -5.703 -4.587 1.00 0.00 C ATOM 1459 C SER A 96 12.688 -4.602 -4.257 1.00 0.00 C ATOM 1460 O SER A 96 11.488 -4.861 -4.170 1.00 0.00 O ATOM 1461 CB SER A 96 14.239 -5.519 -6.006 1.00 0.00 C ATOM 1462 OG SER A 96 15.578 -5.032 -6.008 1.00 0.00 O ATOM 0 H SER A 96 12.268 -7.171 -5.026 1.00 0.00 H new ATOM 0 HA SER A 96 14.536 -5.636 -3.895 1.00 0.00 H new ATOM 0 HB2 SER A 96 14.199 -6.471 -6.535 1.00 0.00 H new ATOM 0 HB3 SER A 96 13.600 -4.824 -6.551 1.00 0.00 H new ATOM 0 HG SER A 96 15.888 -4.930 -6.932 1.00 0.00 H new ATOM 1468 N LYS A 97 13.210 -3.397 -4.084 1.00 0.00 N ATOM 1469 CA LYS A 97 12.369 -2.256 -3.765 1.00 0.00 C ATOM 1470 C LYS A 97 11.415 -1.990 -4.931 1.00 0.00 C ATOM 1471 O LYS A 97 10.239 -1.697 -4.722 1.00 0.00 O ATOM 1472 CB LYS A 97 13.227 -1.047 -3.385 1.00 0.00 C ATOM 1473 CG LYS A 97 12.368 0.210 -3.237 1.00 0.00 C ATOM 1474 CD LYS A 97 13.073 1.429 -3.836 1.00 0.00 C ATOM 1475 CE LYS A 97 13.687 2.301 -2.739 1.00 0.00 C ATOM 1476 NZ LYS A 97 15.158 2.364 -2.889 1.00 0.00 N ATOM 0 H LYS A 97 14.205 -3.186 -4.159 1.00 0.00 H new ATOM 0 HA LYS A 97 11.754 -2.469 -2.891 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.749 -1.247 -2.450 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.989 -0.883 -4.147 1.00 0.00 H new ATOM 0 HG2 LYS A 97 11.409 0.060 -3.733 1.00 0.00 H new ATOM 0 HG3 LYS A 97 12.157 0.389 -2.183 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.852 1.101 -4.524 1.00 0.00 H new ATOM 0 HD3 LYS A 97 12.362 2.016 -4.417 1.00 0.00 H new ATOM 0 HE2 LYS A 97 13.267 3.306 -2.788 1.00 0.00 H new ATOM 0 HE3 LYS A 97 13.432 1.896 -1.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 15.558 2.960 -2.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.555 1.405 -2.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.395 2.771 -3.816 1.00 0.00 H new ATOM 1490 N GLU A 98 11.957 -2.100 -6.135 1.00 0.00 N ATOM 1491 CA GLU A 98 11.169 -1.875 -7.335 1.00 0.00 C ATOM 1492 C GLU A 98 10.027 -2.890 -7.418 1.00 0.00 C ATOM 1493 O GLU A 98 8.858 -2.512 -7.462 1.00 0.00 O ATOM 1494 CB GLU A 98 12.047 -1.933 -8.587 1.00 0.00 C ATOM 1495 CG GLU A 98 13.042 -0.772 -8.613 1.00 0.00 C ATOM 1496 CD GLU A 98 12.880 0.060 -9.887 1.00 0.00 C ATOM 1497 OE1 GLU A 98 13.435 -0.370 -10.920 1.00 0.00 O ATOM 1498 OE2 GLU A 98 12.205 1.109 -9.797 1.00 0.00 O ATOM 0 H GLU A 98 12.933 -2.342 -6.305 1.00 0.00 H new ATOM 0 HA GLU A 98 10.737 -0.876 -7.281 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.587 -2.880 -8.614 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.419 -1.899 -9.478 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.890 -0.139 -7.739 1.00 0.00 H new ATOM 0 HG3 GLU A 98 14.059 -1.159 -8.554 1.00 0.00 H new ATOM 1505 N ASP A 99 10.407 -4.159 -7.436 1.00 0.00 N ATOM 1506 CA ASP A 99 9.429 -5.232 -7.513 1.00 0.00 C ATOM 1507 C ASP A 99 8.271 -4.930 -6.560 1.00 0.00 C ATOM 1508 O ASP A 99 7.145 -5.369 -6.787 1.00 0.00 O ATOM 1509 CB ASP A 99 10.046 -6.570 -7.099 1.00 0.00 C ATOM 1510 CG ASP A 99 11.094 -7.125 -8.065 1.00 0.00 C ATOM 1511 OD1 ASP A 99 11.908 -6.309 -8.550 1.00 0.00 O ATOM 1512 OD2 ASP A 99 11.060 -8.353 -8.296 1.00 0.00 O ATOM 0 H ASP A 99 11.378 -4.469 -7.399 1.00 0.00 H new ATOM 0 HA ASP A 99 9.082 -5.299 -8.544 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.505 -6.453 -6.117 1.00 0.00 H new ATOM 0 HB3 ASP A 99 9.247 -7.304 -6.992 1.00 0.00 H new ATOM 1517 N ALA A 100 8.588 -4.181 -5.514 1.00 0.00 N ATOM 1518 CA ALA A 100 7.587 -3.815 -4.526 1.00 0.00 C ATOM 1519 C ALA A 100 6.763 -2.638 -5.052 1.00 0.00 C ATOM 1520 O ALA A 100 5.538 -2.716 -5.123 1.00 0.00 O ATOM 1521 CB ALA A 100 8.275 -3.497 -3.197 1.00 0.00 C ATOM 0 H ALA A 100 9.523 -3.818 -5.329 1.00 0.00 H new ATOM 0 HA ALA A 100 6.901 -4.644 -4.349 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.525 -3.222 -2.455 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.822 -4.374 -2.852 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.969 -2.668 -3.336 1.00 0.00 H new ATOM 1527 N ILE A 101 7.469 -1.575 -5.409 1.00 0.00 N ATOM 1528 CA ILE A 101 6.818 -0.384 -5.927 1.00 0.00 C ATOM 1529 C ILE A 101 5.909 -0.772 -7.094 1.00 0.00 C ATOM 1530 O ILE A 101 4.754 -0.353 -7.151 1.00 0.00 O ATOM 1531 CB ILE A 101 7.857 0.682 -6.284 1.00 0.00 C ATOM 1532 CG1 ILE A 101 8.468 1.295 -5.022 1.00 0.00 C ATOM 1533 CG2 ILE A 101 7.256 1.745 -7.205 1.00 0.00 C ATOM 1534 CD1 ILE A 101 9.991 1.385 -5.139 1.00 0.00 C ATOM 0 H ILE A 101 8.485 -1.514 -5.350 1.00 0.00 H new ATOM 0 HA ILE A 101 6.183 0.066 -5.164 1.00 0.00 H new ATOM 0 HB ILE A 101 8.667 0.201 -6.833 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.053 2.289 -4.859 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.201 0.692 -4.154 1.00 0.00 H new ATOM 0 HG21 ILE A 101 8.014 2.491 -7.444 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.907 1.275 -8.124 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.417 2.228 -6.704 1.00 0.00 H new ATOM 0 HD11 ILE A 101 10.400 1.824 -4.229 1.00 0.00 H new ATOM 0 HD12 ILE A 101 10.405 0.386 -5.278 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.254 2.009 -5.993 1.00 0.00 H new ATOM 1546 N GLU A 102 6.464 -1.567 -7.997 1.00 0.00 N ATOM 1547 CA GLU A 102 5.718 -2.016 -9.159 1.00 0.00 C ATOM 1548 C GLU A 102 4.391 -2.644 -8.728 1.00 0.00 C ATOM 1549 O GLU A 102 3.332 -2.275 -9.233 1.00 0.00 O ATOM 1550 CB GLU A 102 6.542 -2.997 -9.995 1.00 0.00 C ATOM 1551 CG GLU A 102 7.923 -2.419 -10.314 1.00 0.00 C ATOM 1552 CD GLU A 102 8.323 -2.720 -11.760 1.00 0.00 C ATOM 1553 OE1 GLU A 102 8.387 -3.923 -12.093 1.00 0.00 O ATOM 1554 OE2 GLU A 102 8.555 -1.739 -12.500 1.00 0.00 O ATOM 0 H GLU A 102 7.423 -1.912 -7.947 1.00 0.00 H new ATOM 0 HA GLU A 102 5.502 -1.149 -9.784 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.653 -3.937 -9.455 1.00 0.00 H new ATOM 0 HB3 GLU A 102 6.015 -3.223 -10.922 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.916 -1.341 -10.152 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.663 -2.839 -9.633 1.00 0.00 H new ATOM 1561 N HIS A 103 4.492 -3.583 -7.799 1.00 0.00 N ATOM 1562 CA HIS A 103 3.313 -4.266 -7.294 1.00 0.00 C ATOM 1563 C HIS A 103 2.393 -3.258 -6.602 1.00 0.00 C ATOM 1564 O HIS A 103 1.201 -3.195 -6.899 1.00 0.00 O ATOM 1565 CB HIS A 103 3.707 -5.430 -6.383 1.00 0.00 C ATOM 1566 CG HIS A 103 2.708 -6.562 -6.366 1.00 0.00 C ATOM 1567 ND1 HIS A 103 2.257 -7.337 -5.338 1.00 0.00 N flip ATOM 1568 CD2 HIS A 103 2.057 -7.005 -7.504 1.00 0.00 C flip ATOM 1569 CE1 HIS A 103 1.377 -8.205 -5.822 1.00 0.00 C flip ATOM 1570 NE2 HIS A 103 1.252 -8.001 -7.165 1.00 0.00 N flip ATOM 0 H HIS A 103 5.372 -3.887 -7.383 1.00 0.00 H new ATOM 0 HA HIS A 103 2.758 -4.702 -8.125 1.00 0.00 H new ATOM 0 HB2 HIS A 103 4.674 -5.817 -6.703 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.834 -5.056 -5.367 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.184 -6.606 -8.500 1.00 0.00 H new ATOM 0 HE1 HIS A 103 0.847 -8.950 -5.247 1.00 0.00 H new ATOM 0 HE2 HIS A 103 0.645 -8.523 -7.797 1.00 0.00 H new ATOM 1578 N PHE A 104 2.981 -2.495 -5.693 1.00 0.00 N ATOM 1579 CA PHE A 104 2.229 -1.493 -4.957 1.00 0.00 C ATOM 1580 C PHE A 104 1.571 -0.492 -5.909 1.00 0.00 C ATOM 1581 O PHE A 104 0.492 0.024 -5.624 1.00 0.00 O ATOM 1582 CB PHE A 104 3.227 -0.751 -4.065 1.00 0.00 C ATOM 1583 CG PHE A 104 2.644 0.482 -3.371 1.00 0.00 C ATOM 1584 CD1 PHE A 104 1.803 0.332 -2.312 1.00 0.00 C ATOM 1585 CD2 PHE A 104 2.966 1.727 -3.811 1.00 0.00 C ATOM 1586 CE1 PHE A 104 1.261 1.475 -1.668 1.00 0.00 C ATOM 1587 CE2 PHE A 104 2.425 2.871 -3.167 1.00 0.00 C ATOM 1588 CZ PHE A 104 1.584 2.721 -2.109 1.00 0.00 C ATOM 0 H PHE A 104 3.970 -2.550 -5.449 1.00 0.00 H new ATOM 0 HA PHE A 104 1.441 -1.972 -4.376 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.602 -1.439 -3.307 1.00 0.00 H new ATOM 0 HB3 PHE A 104 4.081 -0.445 -4.669 1.00 0.00 H new ATOM 0 HD1 PHE A 104 1.548 -0.657 -1.961 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.634 1.846 -4.651 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.592 1.356 -0.828 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.681 3.860 -3.517 1.00 0.00 H new ATOM 0 HZ PHE A 104 1.172 3.591 -1.619 1.00 0.00 H new ATOM 1598 N MET A 105 2.250 -0.247 -7.020 1.00 0.00 N ATOM 1599 CA MET A 105 1.745 0.683 -8.016 1.00 0.00 C ATOM 1600 C MET A 105 0.665 0.029 -8.880 1.00 0.00 C ATOM 1601 O MET A 105 -0.264 0.697 -9.330 1.00 0.00 O ATOM 1602 CB MET A 105 2.897 1.153 -8.906 1.00 0.00 C ATOM 1603 CG MET A 105 3.712 2.249 -8.217 1.00 0.00 C ATOM 1604 SD MET A 105 3.828 3.681 -9.276 1.00 0.00 S ATOM 1605 CE MET A 105 4.521 2.930 -10.739 1.00 0.00 C ATOM 0 H MET A 105 3.146 -0.676 -7.253 1.00 0.00 H new ATOM 0 HA MET A 105 1.303 1.535 -7.499 1.00 0.00 H new ATOM 0 HB2 MET A 105 3.544 0.309 -9.144 1.00 0.00 H new ATOM 0 HB3 MET A 105 2.502 1.528 -9.850 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.243 2.523 -7.272 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.710 1.878 -7.982 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.176 3.644 -11.239 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.094 2.047 -10.458 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.717 2.640 -11.415 1.00 0.00 H new ATOM 1615 N LYS A 106 0.824 -1.271 -9.085 1.00 0.00 N ATOM 1616 CA LYS A 106 -0.126 -2.023 -9.887 1.00 0.00 C ATOM 1617 C LYS A 106 -1.354 -2.355 -9.037 1.00 0.00 C ATOM 1618 O LYS A 106 -2.487 -2.189 -9.486 1.00 0.00 O ATOM 1619 CB LYS A 106 0.547 -3.252 -10.501 1.00 0.00 C ATOM 1620 CG LYS A 106 -0.435 -4.421 -10.602 1.00 0.00 C ATOM 1621 CD LYS A 106 0.262 -5.678 -11.128 1.00 0.00 C ATOM 1622 CE LYS A 106 -0.225 -6.025 -12.537 1.00 0.00 C ATOM 1623 NZ LYS A 106 0.336 -7.324 -12.973 1.00 0.00 N ATOM 0 H LYS A 106 1.596 -1.822 -8.710 1.00 0.00 H new ATOM 0 HA LYS A 106 -0.473 -1.424 -10.729 1.00 0.00 H new ATOM 0 HB2 LYS A 106 0.928 -3.006 -11.492 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.404 -3.543 -9.894 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -0.867 -4.623 -9.622 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -1.258 -4.153 -11.264 1.00 0.00 H new ATOM 0 HD2 LYS A 106 1.341 -5.522 -11.140 1.00 0.00 H new ATOM 0 HD3 LYS A 106 0.068 -6.514 -10.456 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -1.314 -6.069 -12.551 1.00 0.00 H new ATOM 0 HE3 LYS A 106 0.072 -5.241 -13.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -0.004 -7.545 -13.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 1.375 -7.269 -12.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 0.032 -8.071 -12.317 1.00 0.00 H new ATOM 1637 N LEU A 107 -1.088 -2.818 -7.825 1.00 0.00 N ATOM 1638 CA LEU A 107 -2.158 -3.174 -6.908 1.00 0.00 C ATOM 1639 C LEU A 107 -3.173 -2.031 -6.846 1.00 0.00 C ATOM 1640 O LEU A 107 -4.345 -2.219 -7.168 1.00 0.00 O ATOM 1641 CB LEU A 107 -1.586 -3.564 -5.543 1.00 0.00 C ATOM 1642 CG LEU A 107 -1.325 -5.056 -5.327 1.00 0.00 C ATOM 1643 CD1 LEU A 107 -0.836 -5.326 -3.902 1.00 0.00 C ATOM 1644 CD2 LEU A 107 -2.563 -5.885 -5.674 1.00 0.00 C ATOM 0 H LEU A 107 -0.147 -2.955 -7.456 1.00 0.00 H new ATOM 0 HA LEU A 107 -2.691 -4.054 -7.268 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -0.649 -3.027 -5.397 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.274 -3.220 -4.771 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.530 -5.365 -6.005 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.658 -6.394 -3.775 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.091 -4.780 -3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.592 -4.997 -3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.350 -6.942 -5.512 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.395 -5.580 -5.039 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.827 -5.724 -6.719 1.00 0.00 H new ATOM 1656 N TYR A 108 -2.685 -0.871 -6.429 1.00 0.00 N ATOM 1657 CA TYR A 108 -3.535 0.302 -6.321 1.00 0.00 C ATOM 1658 C TYR A 108 -4.090 0.706 -7.689 1.00 0.00 C ATOM 1659 O TYR A 108 -4.976 1.554 -7.777 1.00 0.00 O ATOM 1660 CB TYR A 108 -2.639 1.425 -5.796 1.00 0.00 C ATOM 1661 CG TYR A 108 -3.389 2.716 -5.463 1.00 0.00 C ATOM 1662 CD1 TYR A 108 -3.577 3.676 -6.436 1.00 0.00 C ATOM 1663 CD2 TYR A 108 -3.879 2.920 -4.189 1.00 0.00 C ATOM 1664 CE1 TYR A 108 -4.283 4.891 -6.122 1.00 0.00 C ATOM 1665 CE2 TYR A 108 -4.585 4.135 -3.875 1.00 0.00 C ATOM 1666 CZ TYR A 108 -4.752 5.061 -4.857 1.00 0.00 C ATOM 1667 OH TYR A 108 -5.419 6.208 -4.561 1.00 0.00 O ATOM 0 H TYR A 108 -1.712 -0.719 -6.162 1.00 0.00 H new ATOM 0 HA TYR A 108 -4.383 0.102 -5.666 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -2.123 1.076 -4.902 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.874 1.643 -6.541 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.195 3.516 -7.433 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -3.733 2.168 -3.427 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -4.437 5.650 -6.874 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -4.973 4.307 -2.882 1.00 0.00 H new ATOM 0 HH TYR A 108 -5.697 6.192 -3.621 1.00 0.00 H new ATOM 1677 N GLU A 109 -3.545 0.079 -8.721 1.00 0.00 N ATOM 1678 CA GLU A 109 -3.974 0.362 -10.080 1.00 0.00 C ATOM 1679 C GLU A 109 -5.024 -0.658 -10.528 1.00 0.00 C ATOM 1680 O GLU A 109 -5.748 -0.424 -11.494 1.00 0.00 O ATOM 1681 CB GLU A 109 -2.782 0.379 -11.039 1.00 0.00 C ATOM 1682 CG GLU A 109 -3.249 0.478 -12.493 1.00 0.00 C ATOM 1683 CD GLU A 109 -2.057 0.516 -13.450 1.00 0.00 C ATOM 1684 OE1 GLU A 109 -1.435 -0.554 -13.625 1.00 0.00 O ATOM 1685 OE2 GLU A 109 -1.795 1.614 -13.987 1.00 0.00 O ATOM 0 H GLU A 109 -2.810 -0.624 -8.643 1.00 0.00 H new ATOM 0 HA GLU A 109 -4.427 1.353 -10.099 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.133 1.223 -10.803 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.190 -0.526 -10.904 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.886 -0.374 -12.733 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.854 1.375 -12.624 1.00 0.00 H new ATOM 1692 N GLU A 110 -5.072 -1.767 -9.805 1.00 0.00 N ATOM 1693 CA GLU A 110 -6.020 -2.822 -10.117 1.00 0.00 C ATOM 1694 C GLU A 110 -7.363 -2.548 -9.436 1.00 0.00 C ATOM 1695 O GLU A 110 -8.413 -2.932 -9.948 1.00 0.00 O ATOM 1696 CB GLU A 110 -5.470 -4.191 -9.711 1.00 0.00 C ATOM 1697 CG GLU A 110 -5.978 -4.598 -8.327 1.00 0.00 C ATOM 1698 CD GLU A 110 -5.476 -5.993 -7.946 1.00 0.00 C ATOM 1699 OE1 GLU A 110 -4.383 -6.355 -8.434 1.00 0.00 O ATOM 1700 OE2 GLU A 110 -6.196 -6.664 -7.176 1.00 0.00 O ATOM 0 H GLU A 110 -4.470 -1.958 -9.004 1.00 0.00 H new ATOM 0 HA GLU A 110 -6.177 -2.835 -11.196 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.768 -4.939 -10.446 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.380 -4.163 -9.708 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.644 -3.872 -7.585 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -7.068 -4.585 -8.317 1.00 0.00 H new ATOM 1707 N LYS A 111 -7.285 -1.884 -8.292 1.00 0.00 N ATOM 1708 CA LYS A 111 -8.481 -1.553 -7.535 1.00 0.00 C ATOM 1709 C LYS A 111 -9.125 -0.300 -8.131 1.00 0.00 C ATOM 1710 O LYS A 111 -10.216 -0.368 -8.697 1.00 0.00 O ATOM 1711 CB LYS A 111 -8.155 -1.428 -6.046 1.00 0.00 C ATOM 1712 CG LYS A 111 -7.750 -2.782 -5.457 1.00 0.00 C ATOM 1713 CD LYS A 111 -8.872 -3.809 -5.622 1.00 0.00 C ATOM 1714 CE LYS A 111 -8.613 -5.046 -4.760 1.00 0.00 C ATOM 1715 NZ LYS A 111 -9.776 -5.322 -3.888 1.00 0.00 N ATOM 0 H LYS A 111 -6.412 -1.566 -7.871 1.00 0.00 H new ATOM 0 HA LYS A 111 -9.214 -2.356 -7.610 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -7.347 -0.710 -5.906 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -9.022 -1.040 -5.512 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -6.847 -3.142 -5.950 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -7.511 -2.666 -4.400 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -9.825 -3.360 -5.343 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -8.952 -4.101 -6.669 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -8.417 -5.907 -5.399 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -7.722 -4.892 -4.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -9.821 -6.340 -3.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -9.677 -4.792 -2.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.649 -5.028 -4.370 1.00 0.00 H new ATOM 1729 N THR A 112 -8.424 0.814 -7.984 1.00 0.00 N ATOM 1730 CA THR A 112 -8.914 2.080 -8.501 1.00 0.00 C ATOM 1731 C THR A 112 -8.952 2.054 -10.030 1.00 0.00 C ATOM 1732 O THR A 112 -9.756 2.752 -10.647 1.00 0.00 O ATOM 1733 CB THR A 112 -8.033 3.195 -7.935 1.00 0.00 C ATOM 1734 OG1 THR A 112 -6.792 3.038 -8.618 1.00 0.00 O ATOM 1735 CG2 THR A 112 -7.679 2.972 -6.463 1.00 0.00 C ATOM 0 H THR A 112 -7.520 0.866 -7.514 1.00 0.00 H new ATOM 0 HA THR A 112 -9.941 2.264 -8.185 1.00 0.00 H new ATOM 0 HB THR A 112 -8.544 4.152 -8.044 1.00 0.00 H new ATOM 0 HG1 THR A 112 -6.383 2.186 -8.361 1.00 0.00 H new ATOM 0 HG21 THR A 112 -7.053 3.792 -6.111 1.00 0.00 H new ATOM 0 HG22 THR A 112 -8.593 2.934 -5.871 1.00 0.00 H new ATOM 0 HG23 THR A 112 -7.139 2.031 -6.357 1.00 0.00 H new ATOM 1743 N GLY A 113 -8.074 1.240 -10.598 1.00 0.00 N ATOM 1744 CA GLY A 113 -7.997 1.113 -12.043 1.00 0.00 C ATOM 1745 C GLY A 113 -7.017 2.130 -12.632 1.00 0.00 C ATOM 1746 O GLY A 113 -6.518 1.947 -13.741 1.00 0.00 O ATOM 0 H GLY A 113 -7.410 0.662 -10.083 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -7.681 0.104 -12.306 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -8.985 1.261 -12.478 1.00 0.00 H new ATOM 1750 N ASN A 114 -6.771 3.181 -11.862 1.00 0.00 N ATOM 1751 CA ASN A 114 -5.859 4.227 -12.294 1.00 0.00 C ATOM 1752 C ASN A 114 -4.502 4.026 -11.616 1.00 0.00 C ATOM 1753 O ASN A 114 -4.429 3.484 -10.514 1.00 0.00 O ATOM 1754 CB ASN A 114 -6.383 5.610 -11.901 1.00 0.00 C ATOM 1755 CG ASN A 114 -7.215 6.221 -13.031 1.00 0.00 C ATOM 1756 OD1 ASN A 114 -6.699 6.792 -13.978 1.00 0.00 O ATOM 1757 ND2 ASN A 114 -8.528 6.071 -12.878 1.00 0.00 N ATOM 0 H ASN A 114 -7.187 3.330 -10.943 1.00 0.00 H new ATOM 0 HA ASN A 114 -5.769 4.170 -13.379 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -6.990 5.530 -10.999 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -5.546 6.267 -11.665 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -9.169 6.445 -13.578 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -8.894 5.582 -12.061 1.00 0.00 H new ATOM 1764 N ALA A 115 -3.462 4.473 -12.304 1.00 0.00 N ATOM 1765 CA ALA A 115 -2.111 4.349 -11.782 1.00 0.00 C ATOM 1766 C ALA A 115 -2.017 5.082 -10.442 1.00 0.00 C ATOM 1767 O ALA A 115 -2.754 6.036 -10.199 1.00 0.00 O ATOM 1768 CB ALA A 115 -1.115 4.887 -12.811 1.00 0.00 C ATOM 0 H ALA A 115 -3.527 4.921 -13.218 1.00 0.00 H new ATOM 0 HA ALA A 115 -1.863 3.303 -11.604 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.102 4.794 -12.420 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.201 4.315 -13.735 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -1.331 5.936 -13.013 1.00 0.00 H new ATOM 1774 N TRP A 116 -1.105 4.607 -9.607 1.00 0.00 N ATOM 1775 CA TRP A 116 -0.905 5.204 -8.298 1.00 0.00 C ATOM 1776 C TRP A 116 -0.939 6.725 -8.462 1.00 0.00 C ATOM 1777 O TRP A 116 -1.731 7.406 -7.812 1.00 0.00 O ATOM 1778 CB TRP A 116 0.390 4.700 -7.657 1.00 0.00 C ATOM 1779 CG TRP A 116 0.990 5.662 -6.629 1.00 0.00 C ATOM 1780 CD1 TRP A 116 1.823 6.689 -6.849 1.00 0.00 C ATOM 1781 CD2 TRP A 116 0.770 5.644 -5.203 1.00 0.00 C ATOM 1782 NE1 TRP A 116 2.154 7.332 -5.673 1.00 0.00 N ATOM 1783 CE2 TRP A 116 1.493 6.676 -4.641 1.00 0.00 C ATOM 1784 CE3 TRP A 116 -0.014 4.784 -4.415 1.00 0.00 C ATOM 1785 CZ2 TRP A 116 1.504 6.944 -3.267 1.00 0.00 C ATOM 1786 CZ3 TRP A 116 0.007 5.065 -3.044 1.00 0.00 C ATOM 1787 CH2 TRP A 116 0.730 6.100 -2.461 1.00 0.00 C ATOM 0 H TRP A 116 -0.496 3.815 -9.812 1.00 0.00 H new ATOM 0 HA TRP A 116 -1.701 4.910 -7.614 1.00 0.00 H new ATOM 0 HB2 TRP A 116 0.196 3.743 -7.174 1.00 0.00 H new ATOM 0 HB3 TRP A 116 1.125 4.518 -8.441 1.00 0.00 H new ATOM 0 HD1 TRP A 116 2.189 6.977 -7.823 1.00 0.00 H new ATOM 0 HE1 TRP A 116 2.770 8.140 -5.579 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -0.587 3.970 -4.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 2.079 7.758 -2.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -0.580 4.434 -2.393 1.00 0.00 H new ATOM 0 HH2 TRP A 116 0.695 6.252 -1.392 1.00 0.00 H new ATOM 1798 N HIS A 117 -0.069 7.213 -9.334 1.00 0.00 N ATOM 1799 CA HIS A 117 0.011 8.641 -9.592 1.00 0.00 C ATOM 1800 C HIS A 117 -1.267 9.108 -10.292 1.00 0.00 C ATOM 1801 O HIS A 117 -2.130 9.724 -9.669 1.00 0.00 O ATOM 1802 CB HIS A 117 1.277 8.981 -10.381 1.00 0.00 C ATOM 1803 CG HIS A 117 2.195 9.953 -9.679 1.00 0.00 C ATOM 1804 ND1 HIS A 117 3.013 9.585 -8.625 1.00 0.00 N ATOM 1805 CD2 HIS A 117 2.417 11.282 -9.893 1.00 0.00 C ATOM 1806 CE1 HIS A 117 3.691 10.652 -8.229 1.00 0.00 C ATOM 1807 NE2 HIS A 117 3.320 11.703 -9.016 1.00 0.00 N ATOM 0 H HIS A 117 0.587 6.645 -9.871 1.00 0.00 H new ATOM 0 HA HIS A 117 0.086 9.181 -8.648 1.00 0.00 H new ATOM 0 HB2 HIS A 117 1.825 8.061 -10.583 1.00 0.00 H new ATOM 0 HB3 HIS A 117 0.990 9.400 -11.346 1.00 0.00 H new ATOM 0 HD2 HIS A 117 1.939 11.889 -10.648 1.00 0.00 H new ATOM 0 HE1 HIS A 117 4.411 10.684 -7.425 1.00 0.00 H new ATOM 0 HE2 HIS A 117 3.678 12.655 -8.943 1.00 0.00 H new ATOM 1815 N SER A 118 -1.347 8.797 -11.577 1.00 0.00 N ATOM 1816 CA SER A 118 -2.504 9.178 -12.369 1.00 0.00 C ATOM 1817 C SER A 118 -2.949 10.594 -11.998 1.00 0.00 C ATOM 1818 O SER A 118 -3.746 10.779 -11.081 1.00 0.00 O ATOM 1819 CB SER A 118 -3.657 8.191 -12.169 1.00 0.00 C ATOM 1820 OG SER A 118 -4.920 8.777 -12.470 1.00 0.00 O ATOM 0 H SER A 118 -0.629 8.285 -12.090 1.00 0.00 H new ATOM 0 HA SER A 118 -2.220 9.157 -13.421 1.00 0.00 H new ATOM 0 HB2 SER A 118 -3.502 7.319 -12.804 1.00 0.00 H new ATOM 0 HB3 SER A 118 -3.658 7.838 -11.138 1.00 0.00 H new ATOM 0 HG SER A 118 -5.432 8.173 -13.047 1.00 0.00 H new ATOM 1826 N LYS A 119 -2.413 11.559 -12.732 1.00 0.00 N ATOM 1827 CA LYS A 119 -2.744 12.953 -12.492 1.00 0.00 C ATOM 1828 C LYS A 119 -4.239 13.073 -12.188 1.00 0.00 C ATOM 1829 O LYS A 119 -4.623 13.415 -11.071 1.00 0.00 O ATOM 1830 CB LYS A 119 -2.284 13.822 -13.664 1.00 0.00 C ATOM 1831 CG LYS A 119 -0.772 14.053 -13.615 1.00 0.00 C ATOM 1832 CD LYS A 119 -0.421 15.483 -14.029 1.00 0.00 C ATOM 1833 CE LYS A 119 0.818 15.506 -14.927 1.00 0.00 C ATOM 1834 NZ LYS A 119 1.900 16.295 -14.296 1.00 0.00 N ATOM 0 H LYS A 119 -1.752 11.402 -13.493 1.00 0.00 H new ATOM 0 HA LYS A 119 -2.209 13.326 -11.619 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -2.552 13.341 -14.605 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -2.803 14.780 -13.637 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -0.404 13.862 -12.607 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -0.271 13.346 -14.276 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -1.264 15.930 -14.555 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -0.242 16.089 -13.141 1.00 0.00 H new ATOM 0 HE2 LYS A 119 1.161 14.488 -15.110 1.00 0.00 H new ATOM 0 HE3 LYS A 119 0.564 15.935 -15.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 2.733 16.301 -14.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 1.575 17.271 -14.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 2.153 15.868 -13.382 1.00 0.00 H new ATOM 1848 N ASN A 120 -5.041 12.784 -13.202 1.00 0.00 N ATOM 1849 CA ASN A 120 -6.485 12.855 -13.057 1.00 0.00 C ATOM 1850 C ASN A 120 -7.019 11.485 -12.631 1.00 0.00 C ATOM 1851 O ASN A 120 -6.561 10.456 -13.125 1.00 0.00 O ATOM 1852 CB ASN A 120 -7.154 13.232 -14.380 1.00 0.00 C ATOM 1853 CG ASN A 120 -7.649 14.680 -14.352 1.00 0.00 C ATOM 1854 OD1 ASN A 120 -7.067 15.549 -13.724 1.00 0.00 O ATOM 1855 ND2 ASN A 120 -8.752 14.888 -15.064 1.00 0.00 N ATOM 0 H ASN A 120 -4.718 12.500 -14.127 1.00 0.00 H new ATOM 0 HA ASN A 120 -6.711 13.615 -12.309 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.447 13.102 -15.199 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -7.992 12.561 -14.572 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -9.162 15.821 -15.108 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -9.188 14.115 -15.566 1.00 0.00 H new ATOM 1862 N PHE A 121 -7.979 11.517 -11.719 1.00 0.00 N ATOM 1863 CA PHE A 121 -8.580 10.291 -11.221 1.00 0.00 C ATOM 1864 C PHE A 121 -10.037 10.173 -11.671 1.00 0.00 C ATOM 1865 O PHE A 121 -10.880 10.978 -11.275 1.00 0.00 O ATOM 1866 CB PHE A 121 -8.533 10.359 -9.694 1.00 0.00 C ATOM 1867 CG PHE A 121 -9.006 9.080 -9.000 1.00 0.00 C ATOM 1868 CD1 PHE A 121 -8.126 8.072 -8.758 1.00 0.00 C ATOM 1869 CD2 PHE A 121 -10.307 8.951 -8.624 1.00 0.00 C ATOM 1870 CE1 PHE A 121 -8.566 6.885 -8.114 1.00 0.00 C ATOM 1871 CE2 PHE A 121 -10.747 7.765 -7.980 1.00 0.00 C ATOM 1872 CZ PHE A 121 -9.867 6.756 -7.739 1.00 0.00 C ATOM 0 H PHE A 121 -8.356 12.373 -11.312 1.00 0.00 H new ATOM 0 HA PHE A 121 -8.038 9.427 -11.606 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -7.511 10.573 -9.381 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -9.150 11.192 -9.358 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.093 8.174 -9.055 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -11.006 9.752 -8.816 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -7.867 6.084 -7.922 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.780 7.664 -7.681 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.201 5.853 -7.250 1.00 0.00 H new ATOM 1882 N THR A 122 -10.291 9.164 -12.491 1.00 0.00 N ATOM 1883 CA THR A 122 -11.632 8.930 -12.998 1.00 0.00 C ATOM 1884 C THR A 122 -12.364 7.913 -12.120 1.00 0.00 C ATOM 1885 O THR A 122 -12.017 6.734 -12.108 1.00 0.00 O ATOM 1886 CB THR A 122 -11.515 8.497 -14.461 1.00 0.00 C ATOM 1887 OG1 THR A 122 -11.018 9.655 -15.127 1.00 0.00 O ATOM 1888 CG2 THR A 122 -12.879 8.252 -15.110 1.00 0.00 C ATOM 0 H THR A 122 -9.590 8.499 -12.817 1.00 0.00 H new ATOM 0 HA THR A 122 -12.234 9.838 -12.960 1.00 0.00 H new ATOM 0 HB THR A 122 -10.914 7.590 -14.524 1.00 0.00 H new ATOM 0 HG1 THR A 122 -10.910 9.462 -16.082 1.00 0.00 H new ATOM 0 HG21 THR A 122 -12.739 7.947 -16.147 1.00 0.00 H new ATOM 0 HG22 THR A 122 -13.404 7.465 -14.568 1.00 0.00 H new ATOM 0 HG23 THR A 122 -13.467 9.169 -15.078 1.00 0.00 H new ATOM 1896 N LYS A 123 -13.365 8.408 -11.407 1.00 0.00 N ATOM 1897 CA LYS A 123 -14.150 7.557 -10.528 1.00 0.00 C ATOM 1898 C LYS A 123 -14.957 6.568 -11.370 1.00 0.00 C ATOM 1899 O LYS A 123 -16.054 6.886 -11.827 1.00 0.00 O ATOM 1900 CB LYS A 123 -15.007 8.406 -9.586 1.00 0.00 C ATOM 1901 CG LYS A 123 -14.988 7.837 -8.166 1.00 0.00 C ATOM 1902 CD LYS A 123 -16.307 7.134 -7.839 1.00 0.00 C ATOM 1903 CE LYS A 123 -17.134 7.954 -6.847 1.00 0.00 C ATOM 1904 NZ LYS A 123 -17.817 9.070 -7.540 1.00 0.00 N ATOM 0 H LYS A 123 -13.651 9.387 -11.420 1.00 0.00 H new ATOM 0 HA LYS A 123 -13.497 6.968 -9.884 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -14.636 9.431 -9.576 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -16.032 8.441 -9.954 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -14.162 7.134 -8.063 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -14.813 8.641 -7.451 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -16.878 6.981 -8.755 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -16.104 6.148 -7.421 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -17.871 7.314 -6.362 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -16.487 8.347 -6.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -18.374 9.617 -6.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -17.108 9.690 -7.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -18.449 8.689 -8.273 1.00 0.00 H new ATOM 1918 N TYR A 124 -14.382 5.387 -11.551 1.00 0.00 N ATOM 1919 CA TYR A 124 -15.035 4.349 -12.330 1.00 0.00 C ATOM 1920 C TYR A 124 -15.992 3.530 -11.461 1.00 0.00 C ATOM 1921 O TYR A 124 -15.950 3.616 -10.235 1.00 0.00 O ATOM 1922 CB TYR A 124 -13.916 3.435 -12.835 1.00 0.00 C ATOM 1923 CG TYR A 124 -13.374 3.819 -14.214 1.00 0.00 C ATOM 1924 CD1 TYR A 124 -14.241 3.987 -15.274 1.00 0.00 C ATOM 1925 CD2 TYR A 124 -12.018 3.998 -14.397 1.00 0.00 C ATOM 1926 CE1 TYR A 124 -13.731 4.349 -16.571 1.00 0.00 C ATOM 1927 CE2 TYR A 124 -11.507 4.359 -15.694 1.00 0.00 C ATOM 1928 CZ TYR A 124 -12.389 4.517 -16.717 1.00 0.00 C ATOM 1929 OH TYR A 124 -11.907 4.858 -17.942 1.00 0.00 O ATOM 0 H TYR A 124 -13.472 5.127 -11.172 1.00 0.00 H new ATOM 0 HA TYR A 124 -15.617 4.787 -13.141 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -13.096 3.450 -12.117 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -14.287 2.411 -12.874 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -15.302 3.847 -15.131 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -11.340 3.867 -13.567 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -14.399 4.484 -17.409 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -10.448 4.501 -15.851 1.00 0.00 H new ATOM 0 HH TYR A 124 -10.932 4.945 -17.897 1.00 0.00 H new ATOM 1939 N PRO A 125 -16.854 2.735 -12.149 1.00 0.00 N ATOM 1940 CA PRO A 125 -17.820 1.902 -11.453 1.00 0.00 C ATOM 1941 C PRO A 125 -17.141 0.682 -10.825 1.00 0.00 C ATOM 1942 O PRO A 125 -16.503 -0.105 -11.523 1.00 0.00 O ATOM 1943 CB PRO A 125 -18.851 1.531 -12.506 1.00 0.00 C ATOM 1944 CG PRO A 125 -18.183 1.780 -13.849 1.00 0.00 C ATOM 1945 CD PRO A 125 -16.932 2.608 -13.601 1.00 0.00 C ATOM 0 HA PRO A 125 -18.292 2.416 -10.616 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -19.153 0.488 -12.407 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -19.752 2.135 -12.400 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -17.927 0.835 -14.329 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -18.861 2.305 -14.521 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -16.046 2.117 -14.004 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -17.002 3.584 -14.081 1.00 0.00 H new ATOM 1953 N LYS A 126 -17.302 0.565 -9.516 1.00 0.00 N ATOM 1954 CA LYS A 126 -16.712 -0.545 -8.786 1.00 0.00 C ATOM 1955 C LYS A 126 -15.290 -0.174 -8.363 1.00 0.00 C ATOM 1956 O LYS A 126 -14.853 -0.522 -7.267 1.00 0.00 O ATOM 1957 CB LYS A 126 -16.793 -1.832 -9.611 1.00 0.00 C ATOM 1958 CG LYS A 126 -18.170 -1.981 -10.260 1.00 0.00 C ATOM 1959 CD LYS A 126 -18.516 -3.456 -10.477 1.00 0.00 C ATOM 1960 CE LYS A 126 -18.275 -3.867 -11.931 1.00 0.00 C ATOM 1961 NZ LYS A 126 -18.520 -5.316 -12.107 1.00 0.00 N ATOM 0 H LYS A 126 -17.832 1.220 -8.941 1.00 0.00 H new ATOM 0 HA LYS A 126 -17.274 -0.743 -7.873 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -16.023 -1.823 -10.382 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -16.594 -2.692 -8.971 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -18.926 -1.515 -9.628 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -18.185 -1.456 -11.215 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -17.912 -4.076 -9.815 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -19.559 -3.631 -10.214 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -18.932 -3.298 -12.590 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -17.251 -3.628 -12.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -18.352 -5.578 -13.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -17.876 -5.854 -11.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -19.504 -5.535 -11.853 1.00 0.00 H new ATOM 1975 N LYS A 127 -14.606 0.528 -9.255 1.00 0.00 N ATOM 1976 CA LYS A 127 -13.241 0.950 -8.988 1.00 0.00 C ATOM 1977 C LYS A 127 -13.181 1.629 -7.618 1.00 0.00 C ATOM 1978 O LYS A 127 -14.041 2.444 -7.287 1.00 0.00 O ATOM 1979 CB LYS A 127 -12.717 1.823 -10.130 1.00 0.00 C ATOM 1980 CG LYS A 127 -12.629 1.025 -11.433 1.00 0.00 C ATOM 1981 CD LYS A 127 -11.724 -0.197 -11.267 1.00 0.00 C ATOM 1982 CE LYS A 127 -11.389 -0.820 -12.624 1.00 0.00 C ATOM 1983 NZ LYS A 127 -12.143 -2.079 -12.816 1.00 0.00 N ATOM 0 H LYS A 127 -14.971 0.815 -10.163 1.00 0.00 H new ATOM 0 HA LYS A 127 -12.577 0.087 -8.947 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -13.375 2.681 -10.268 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -11.733 2.214 -9.872 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -13.626 0.705 -11.736 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -12.243 1.662 -12.229 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -10.804 0.094 -10.759 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -12.217 -0.936 -10.635 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -11.631 -0.119 -13.423 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -10.319 -1.017 -12.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -11.904 -2.489 -13.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -11.892 -2.752 -12.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -13.163 -1.882 -12.778 1.00 0.00 H new ATOM 1997 N PHE A 128 -12.157 1.268 -6.858 1.00 0.00 N ATOM 1998 CA PHE A 128 -11.974 1.833 -5.532 1.00 0.00 C ATOM 1999 C PHE A 128 -11.354 3.229 -5.611 1.00 0.00 C ATOM 2000 O PHE A 128 -10.661 3.551 -6.575 1.00 0.00 O ATOM 2001 CB PHE A 128 -11.017 0.905 -4.780 1.00 0.00 C ATOM 2002 CG PHE A 128 -11.652 -0.415 -4.335 1.00 0.00 C ATOM 2003 CD1 PHE A 128 -11.681 -1.475 -5.186 1.00 0.00 C ATOM 2004 CD2 PHE A 128 -12.185 -0.527 -3.090 1.00 0.00 C ATOM 2005 CE1 PHE A 128 -12.270 -2.700 -4.774 1.00 0.00 C ATOM 2006 CE2 PHE A 128 -12.774 -1.752 -2.677 1.00 0.00 C ATOM 2007 CZ PHE A 128 -12.804 -2.812 -3.528 1.00 0.00 C ATOM 0 H PHE A 128 -11.446 0.591 -7.135 1.00 0.00 H new ATOM 0 HA PHE A 128 -12.937 1.921 -5.029 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -10.161 0.688 -5.419 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -10.635 1.427 -3.902 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -11.256 -1.386 -6.175 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -12.161 0.315 -2.414 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -12.294 -3.542 -5.450 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -13.198 -1.841 -1.688 1.00 0.00 H new ATOM 0 HZ PHE A 128 -13.252 -3.743 -3.215 1.00 0.00 H new ATOM 2017 N TYR A 129 -11.625 4.021 -4.585 1.00 0.00 N ATOM 2018 CA TYR A 129 -11.103 5.376 -4.526 1.00 0.00 C ATOM 2019 C TYR A 129 -10.483 5.666 -3.157 1.00 0.00 C ATOM 2020 O TYR A 129 -10.709 4.927 -2.200 1.00 0.00 O ATOM 2021 CB TYR A 129 -12.303 6.301 -4.735 1.00 0.00 C ATOM 2022 CG TYR A 129 -13.494 5.989 -3.826 1.00 0.00 C ATOM 2023 CD1 TYR A 129 -13.489 6.410 -2.512 1.00 0.00 C ATOM 2024 CD2 TYR A 129 -14.574 5.286 -4.321 1.00 0.00 C ATOM 2025 CE1 TYR A 129 -14.610 6.117 -1.657 1.00 0.00 C ATOM 2026 CE2 TYR A 129 -15.695 4.992 -3.466 1.00 0.00 C ATOM 2027 CZ TYR A 129 -15.657 5.422 -2.176 1.00 0.00 C ATOM 2028 OH TYR A 129 -16.716 5.145 -1.368 1.00 0.00 O ATOM 0 H TYR A 129 -12.200 3.751 -3.787 1.00 0.00 H new ATOM 0 HA TYR A 129 -10.328 5.521 -5.279 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -11.989 7.331 -4.565 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -12.625 6.233 -5.774 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -12.644 6.960 -2.125 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -14.578 4.956 -5.349 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -14.619 6.442 -0.627 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -16.546 4.443 -3.840 1.00 0.00 H new ATOM 0 HH TYR A 129 -17.390 4.644 -1.873 1.00 0.00 H new ATOM 2038 N PRO A 130 -9.692 6.771 -3.107 1.00 0.00 N ATOM 2039 CA PRO A 130 -9.038 7.168 -1.872 1.00 0.00 C ATOM 2040 C PRO A 130 -10.038 7.796 -0.899 1.00 0.00 C ATOM 2041 O PRO A 130 -10.709 8.771 -1.236 1.00 0.00 O ATOM 2042 CB PRO A 130 -7.941 8.129 -2.299 1.00 0.00 C ATOM 2043 CG PRO A 130 -8.315 8.594 -3.696 1.00 0.00 C ATOM 2044 CD PRO A 130 -9.401 7.669 -4.220 1.00 0.00 C ATOM 0 HA PRO A 130 -8.618 6.322 -1.328 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -7.872 8.973 -1.612 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -6.969 7.637 -2.299 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -8.670 9.624 -3.673 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -7.445 8.571 -4.352 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -10.287 8.229 -4.519 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -9.062 7.117 -5.096 1.00 0.00 H new ATOM 2052 N LEU A 131 -10.107 7.212 0.288 1.00 0.00 N ATOM 2053 CA LEU A 131 -11.014 7.702 1.312 1.00 0.00 C ATOM 2054 C LEU A 131 -10.457 9.000 1.901 1.00 0.00 C ATOM 2055 O LEU A 131 -11.143 10.022 1.919 1.00 0.00 O ATOM 2056 CB LEU A 131 -11.279 6.617 2.358 1.00 0.00 C ATOM 2057 CG LEU A 131 -11.874 5.310 1.831 1.00 0.00 C ATOM 2058 CD1 LEU A 131 -12.148 4.332 2.975 1.00 0.00 C ATOM 2059 CD2 LEU A 131 -13.126 5.576 0.992 1.00 0.00 C ATOM 0 H LEU A 131 -9.549 6.404 0.564 1.00 0.00 H new ATOM 0 HA LEU A 131 -11.986 7.938 0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -10.340 6.389 2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -11.954 7.023 3.111 1.00 0.00 H new ATOM 0 HG LEU A 131 -11.141 4.841 1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -12.571 3.411 2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -11.216 4.108 3.493 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -12.853 4.780 3.675 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -13.529 4.630 0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -13.875 6.078 1.605 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -12.867 6.209 0.143 1.00 0.00 H new ATOM 2071 N GLU A 132 -9.220 8.918 2.368 1.00 0.00 N ATOM 2072 CA GLU A 132 -8.564 10.074 2.955 1.00 0.00 C ATOM 2073 C GLU A 132 -7.506 10.628 1.998 1.00 0.00 C ATOM 2074 O GLU A 132 -6.668 9.881 1.495 1.00 0.00 O ATOM 2075 CB GLU A 132 -7.947 9.724 4.311 1.00 0.00 C ATOM 2076 CG GLU A 132 -7.911 10.947 5.230 1.00 0.00 C ATOM 2077 CD GLU A 132 -6.569 11.047 5.957 1.00 0.00 C ATOM 2078 OE1 GLU A 132 -6.284 10.125 6.751 1.00 0.00 O ATOM 2079 OE2 GLU A 132 -5.858 12.043 5.701 1.00 0.00 O ATOM 0 H GLU A 132 -8.655 8.069 2.352 1.00 0.00 H new ATOM 0 HA GLU A 132 -9.314 10.847 3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -8.523 8.928 4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -6.936 9.343 4.167 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -8.080 11.851 4.645 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -8.719 10.883 5.958 1.00 0.00 H new