USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 743 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 69 SER OG : rot 157:sc= -0.852! USER MOD Set 1.2: A 106 CYS SG : rot -23:sc= 0.805 USER MOD Set 2.1: A 37 CYS SG : rot 103:sc= 0.121 USER MOD Set 2.2: A 105 HIS : no HD1:sc= -0.0463 K(o=0.075,f=-0.65) USER MOD Set 3.1: A 90 ASN : amide:sc= -2.6! C(o=-2.5!,f=-13!) USER MOD Set 3.2: A 91 SER OG : rot 180:sc= 0.0558 USER MOD Set 4.1: A 70 SER OG : rot -44:sc= -0.564! USER MOD Set 4.2: A 71 SER OG : rot 84:sc= 0.318 USER MOD Set 5.1: A 63 CYS SG : rot 180:sc= 0 USER MOD Set 5.2: A 65 SER OG : rot 52:sc= 0.76 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc=-0.00455 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.517 K(o=-0.52,f=-3.2!) USER MOD Single : A 44 GLN : amide:sc= -0.328 K(o=-0.33,f=-2.1!) USER MOD Single : A 46 LYS NZ :NH3+ -161:sc= -0.0947 (180deg=-0.746) USER MOD Single : A 50 ASN : amide:sc= -2.78! C(o=-2.8!,f=-2.8!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 158:sc= -0.033 (180deg=-0.307) USER MOD Single : A 60 THR OG1 : rot 140:sc= -0.145 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -89:sc= -3.39! USER MOD Single : A 78 LYS NZ :NH3+ 161:sc= 0.0695 (180deg=-0.0827) USER MOD Single : A 80 LYS NZ :NH3+ -157:sc= 0.31 (180deg=-0.416) USER MOD Single : A 81 SER OG : rot 180:sc= -1.71! USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 103 LYS NZ :NH3+ 152:sc= 0.0771 (180deg=0) USER MOD Single : A 107 SER OG : rot -150:sc= 0.118 USER MOD Single : A 115 LYS NZ :NH3+ 165:sc= -2.3! (180deg=-2.47!) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -140:sc= -3.57! (180deg=-4.62!) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 374 N ASP A 24 10.339 -9.610 -16.924 1.00 0.00 N ATOM 375 CA ASP A 24 9.277 -10.523 -16.412 1.00 0.00 C ATOM 376 C ASP A 24 7.994 -10.318 -17.219 1.00 0.00 C ATOM 377 O ASP A 24 7.780 -9.278 -17.807 1.00 0.00 O ATOM 378 CB ASP A 24 9.007 -10.213 -14.938 1.00 0.00 C ATOM 379 CG ASP A 24 10.231 -9.527 -14.329 1.00 0.00 C ATOM 380 OD1 ASP A 24 11.328 -9.805 -14.783 1.00 0.00 O ATOM 381 OD2 ASP A 24 10.050 -8.735 -13.419 1.00 0.00 O ATOM 0 HA ASP A 24 9.607 -11.557 -16.513 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.132 -9.569 -14.845 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.785 -11.133 -14.397 1.00 0.00 H new ATOM 386 N SER A 25 7.140 -11.304 -17.252 1.00 0.00 N ATOM 387 CA SER A 25 5.872 -11.164 -18.022 1.00 0.00 C ATOM 388 C SER A 25 4.744 -10.752 -17.074 1.00 0.00 C ATOM 389 O SER A 25 3.623 -10.529 -17.485 1.00 0.00 O ATOM 390 CB SER A 25 5.523 -12.500 -18.679 1.00 0.00 C ATOM 391 OG SER A 25 6.722 -13.200 -18.984 1.00 0.00 O ATOM 0 H SER A 25 7.265 -12.199 -16.780 1.00 0.00 H new ATOM 0 HA SER A 25 5.997 -10.403 -18.792 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.900 -13.095 -18.011 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.945 -12.332 -19.588 1.00 0.00 H new ATOM 0 HG SER A 25 6.502 -14.058 -19.404 1.00 0.00 H new ATOM 397 N ASN A 26 5.033 -10.647 -15.805 1.00 0.00 N ATOM 398 CA ASN A 26 3.978 -10.248 -14.831 1.00 0.00 C ATOM 399 C ASN A 26 4.081 -8.746 -14.558 1.00 0.00 C ATOM 400 O ASN A 26 3.367 -8.205 -13.737 1.00 0.00 O ATOM 401 CB ASN A 26 4.174 -11.019 -13.523 1.00 0.00 C ATOM 402 CG ASN A 26 4.278 -12.516 -13.821 1.00 0.00 C ATOM 403 OD1 ASN A 26 3.384 -13.095 -14.404 1.00 0.00 O ATOM 404 ND2 ASN A 26 5.341 -13.172 -13.441 1.00 0.00 N ATOM 0 H ASN A 26 5.954 -10.820 -15.401 1.00 0.00 H new ATOM 0 HA ASN A 26 2.995 -10.477 -15.244 1.00 0.00 H new ATOM 0 HB2 ASN A 26 5.076 -10.675 -13.018 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.339 -10.829 -12.848 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.420 -14.170 -13.634 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.092 -12.686 -12.951 1.00 0.00 H new ATOM 411 N VAL A 27 4.965 -8.069 -15.238 1.00 0.00 N ATOM 412 CA VAL A 27 5.115 -6.603 -15.014 1.00 0.00 C ATOM 413 C VAL A 27 4.545 -5.840 -16.212 1.00 0.00 C ATOM 414 O VAL A 27 5.208 -5.655 -17.214 1.00 0.00 O ATOM 415 CB VAL A 27 6.596 -6.261 -14.850 1.00 0.00 C ATOM 416 CG1 VAL A 27 6.759 -4.747 -14.712 1.00 0.00 C ATOM 417 CG2 VAL A 27 7.141 -6.949 -13.597 1.00 0.00 C ATOM 0 H VAL A 27 5.590 -8.467 -15.939 1.00 0.00 H new ATOM 0 HA VAL A 27 4.574 -6.318 -14.112 1.00 0.00 H new ATOM 0 HB VAL A 27 7.148 -6.606 -15.724 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.815 -4.504 -14.595 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.370 -4.256 -15.604 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.208 -4.400 -13.838 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.197 -6.706 -13.479 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.589 -6.603 -12.723 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.026 -8.028 -13.695 1.00 0.00 H new ATOM 427 N GLY A 28 3.323 -5.392 -16.117 1.00 0.00 N ATOM 428 CA GLY A 28 2.716 -4.638 -17.250 1.00 0.00 C ATOM 429 C GLY A 28 3.081 -3.159 -17.127 1.00 0.00 C ATOM 430 O GLY A 28 3.367 -2.668 -16.053 1.00 0.00 O ATOM 0 H GLY A 28 2.719 -5.515 -15.304 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.075 -5.035 -18.200 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.633 -4.759 -17.243 1.00 0.00 H new ATOM 434 N THR A 29 3.077 -2.442 -18.218 1.00 0.00 N ATOM 435 CA THR A 29 3.427 -0.994 -18.155 1.00 0.00 C ATOM 436 C THR A 29 2.481 -0.197 -19.056 1.00 0.00 C ATOM 437 O THR A 29 2.451 -0.377 -20.257 1.00 0.00 O ATOM 438 CB THR A 29 4.867 -0.796 -18.631 1.00 0.00 C ATOM 439 OG1 THR A 29 5.665 -1.883 -18.184 1.00 0.00 O ATOM 440 CG2 THR A 29 5.419 0.513 -18.063 1.00 0.00 C ATOM 0 H THR A 29 2.847 -2.795 -19.147 1.00 0.00 H new ATOM 0 HA THR A 29 3.330 -0.644 -17.127 1.00 0.00 H new ATOM 0 HB THR A 29 4.888 -0.753 -19.720 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.588 -1.759 -18.489 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.445 0.653 -18.403 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.806 1.346 -18.407 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.400 0.474 -16.974 1.00 0.00 H new ATOM 448 N GLY A 30 1.710 0.687 -18.484 1.00 0.00 N ATOM 449 CA GLY A 30 0.771 1.500 -19.307 1.00 0.00 C ATOM 450 C GLY A 30 1.428 2.836 -19.656 1.00 0.00 C ATOM 451 O GLY A 30 1.695 3.651 -18.795 1.00 0.00 O ATOM 0 H GLY A 30 1.690 0.881 -17.483 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.509 0.962 -20.218 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.156 1.670 -18.760 1.00 0.00 H new ATOM 455 N MET A 31 1.696 3.068 -20.912 1.00 0.00 N ATOM 456 CA MET A 31 2.338 4.352 -21.311 1.00 0.00 C ATOM 457 C MET A 31 1.419 5.107 -22.273 1.00 0.00 C ATOM 458 O MET A 31 1.245 4.723 -23.412 1.00 0.00 O ATOM 459 CB MET A 31 3.671 4.060 -22.004 1.00 0.00 C ATOM 460 CG MET A 31 4.750 4.991 -21.449 1.00 0.00 C ATOM 461 SD MET A 31 6.071 5.181 -22.671 1.00 0.00 S ATOM 462 CE MET A 31 7.156 6.227 -21.670 1.00 0.00 C ATOM 0 H MET A 31 1.498 2.424 -21.678 1.00 0.00 H new ATOM 0 HA MET A 31 2.513 4.961 -20.424 1.00 0.00 H new ATOM 0 HB2 MET A 31 3.956 3.020 -21.844 1.00 0.00 H new ATOM 0 HB3 MET A 31 3.572 4.202 -23.080 1.00 0.00 H new ATOM 0 HG2 MET A 31 4.319 5.963 -21.210 1.00 0.00 H new ATOM 0 HG3 MET A 31 5.154 4.585 -20.522 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.053 6.471 -22.240 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.633 7.146 -21.405 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.437 5.695 -20.761 1.00 0.00 H new ATOM 472 N VAL A 32 0.827 6.181 -21.823 1.00 0.00 N ATOM 473 CA VAL A 32 -0.080 6.960 -22.712 1.00 0.00 C ATOM 474 C VAL A 32 0.214 8.454 -22.556 1.00 0.00 C ATOM 475 O VAL A 32 1.013 8.856 -21.733 1.00 0.00 O ATOM 476 CB VAL A 32 -1.535 6.684 -22.326 1.00 0.00 C ATOM 477 CG1 VAL A 32 -1.851 5.204 -22.547 1.00 0.00 C ATOM 478 CG2 VAL A 32 -1.746 7.036 -20.853 1.00 0.00 C ATOM 0 H VAL A 32 0.933 6.552 -20.879 1.00 0.00 H new ATOM 0 HA VAL A 32 0.083 6.663 -23.748 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.196 7.292 -22.944 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.887 5.008 -22.272 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.701 4.953 -23.597 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.191 4.595 -21.930 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.782 6.840 -20.577 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.085 6.428 -20.235 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.522 8.091 -20.695 1.00 0.00 H new ATOM 488 N GLY A 33 -0.424 9.280 -23.339 1.00 0.00 N ATOM 489 CA GLY A 33 -0.178 10.746 -23.233 1.00 0.00 C ATOM 490 C GLY A 33 -1.225 11.505 -24.050 1.00 0.00 C ATOM 491 O GLY A 33 -1.959 10.927 -24.827 1.00 0.00 O ATOM 0 H GLY A 33 -1.104 9.004 -24.047 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.222 11.057 -22.189 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.822 10.984 -23.595 1.00 0.00 H new ATOM 495 N ALA A 34 -1.299 12.796 -23.881 1.00 0.00 N ATOM 496 CA ALA A 34 -2.297 13.595 -24.648 1.00 0.00 C ATOM 497 C ALA A 34 -1.570 14.648 -25.485 1.00 0.00 C ATOM 498 O ALA A 34 -1.479 15.800 -25.109 1.00 0.00 O ATOM 499 CB ALA A 34 -3.251 14.289 -23.674 1.00 0.00 C ATOM 0 H ALA A 34 -0.711 13.333 -23.244 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.864 12.935 -25.305 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.981 14.873 -24.234 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.769 13.539 -23.075 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.684 14.949 -23.018 1.00 0.00 H new ATOM 505 N PRO A 35 -1.052 14.249 -26.615 1.00 0.00 N ATOM 506 CA PRO A 35 -0.314 15.162 -27.533 1.00 0.00 C ATOM 507 C PRO A 35 -1.061 16.479 -27.768 1.00 0.00 C ATOM 508 O PRO A 35 -0.508 17.433 -28.277 1.00 0.00 O ATOM 509 CB PRO A 35 -0.212 14.365 -28.834 1.00 0.00 C ATOM 510 CG PRO A 35 -0.297 12.930 -28.431 1.00 0.00 C ATOM 511 CD PRO A 35 -1.118 12.877 -27.141 1.00 0.00 C ATOM 0 HA PRO A 35 0.653 15.452 -27.123 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.017 14.628 -29.520 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.726 14.573 -29.349 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.770 12.337 -29.214 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.698 12.514 -28.273 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -2.147 12.574 -27.336 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.703 12.159 -26.434 1.00 0.00 H new ATOM 519 N ALA A 36 -2.312 16.537 -27.404 1.00 0.00 N ATOM 520 CA ALA A 36 -3.089 17.791 -27.608 1.00 0.00 C ATOM 521 C ALA A 36 -2.568 18.875 -26.662 1.00 0.00 C ATOM 522 O ALA A 36 -2.108 19.915 -27.088 1.00 0.00 O ATOM 523 CB ALA A 36 -4.569 17.529 -27.321 1.00 0.00 C ATOM 0 H ALA A 36 -2.830 15.770 -26.974 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.974 18.124 -28.639 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.137 18.447 -27.471 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.940 16.759 -27.997 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.686 17.194 -26.290 1.00 0.00 H new ATOM 529 N CYS A 37 -2.638 18.641 -25.380 1.00 0.00 N ATOM 530 CA CYS A 37 -2.147 19.660 -24.410 1.00 0.00 C ATOM 531 C CYS A 37 -0.676 19.388 -24.086 1.00 0.00 C ATOM 532 O CYS A 37 -0.017 20.177 -23.440 1.00 0.00 O ATOM 533 CB CYS A 37 -2.973 19.583 -23.125 1.00 0.00 C ATOM 534 SG CYS A 37 -4.687 20.043 -23.480 1.00 0.00 S ATOM 0 H CYS A 37 -3.014 17.789 -24.963 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.247 20.654 -24.847 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.934 18.574 -22.715 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.555 20.250 -22.371 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.419 18.971 -23.545 1.00 0.00 H new ATOM 540 N GLY A 38 -0.156 18.275 -24.529 1.00 0.00 N ATOM 541 CA GLY A 38 1.271 17.955 -24.244 1.00 0.00 C ATOM 542 C GLY A 38 1.394 17.390 -22.827 1.00 0.00 C ATOM 543 O GLY A 38 2.289 17.742 -22.085 1.00 0.00 O ATOM 0 H GLY A 38 -0.658 17.575 -25.075 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.644 17.232 -24.969 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.883 18.852 -24.344 1.00 0.00 H new ATOM 547 N ASP A 39 0.502 16.516 -22.447 1.00 0.00 N ATOM 548 CA ASP A 39 0.570 15.931 -21.079 1.00 0.00 C ATOM 549 C ASP A 39 1.136 14.512 -21.157 1.00 0.00 C ATOM 550 O ASP A 39 0.940 13.807 -22.128 1.00 0.00 O ATOM 551 CB ASP A 39 -0.836 15.886 -20.473 1.00 0.00 C ATOM 552 CG ASP A 39 -0.914 16.854 -19.289 1.00 0.00 C ATOM 553 OD1 ASP A 39 -0.343 16.542 -18.257 1.00 0.00 O ATOM 554 OD2 ASP A 39 -1.545 17.888 -19.434 1.00 0.00 O ATOM 0 H ASP A 39 -0.270 16.183 -23.025 1.00 0.00 H new ATOM 0 HA ASP A 39 1.217 16.546 -20.454 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.577 16.155 -21.226 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.069 14.873 -20.144 1.00 0.00 H new ATOM 559 N VAL A 40 1.837 14.087 -20.142 1.00 0.00 N ATOM 560 CA VAL A 40 2.415 12.715 -20.157 1.00 0.00 C ATOM 561 C VAL A 40 1.880 11.924 -18.962 1.00 0.00 C ATOM 562 O VAL A 40 1.746 12.444 -17.872 1.00 0.00 O ATOM 563 CB VAL A 40 3.940 12.805 -20.071 1.00 0.00 C ATOM 564 CG1 VAL A 40 4.561 11.500 -20.573 1.00 0.00 C ATOM 565 CG2 VAL A 40 4.429 13.969 -20.936 1.00 0.00 C ATOM 0 H VAL A 40 2.034 14.632 -19.302 1.00 0.00 H new ATOM 0 HA VAL A 40 2.133 12.210 -21.081 1.00 0.00 H new ATOM 0 HB VAL A 40 4.236 12.970 -19.035 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.647 11.566 -20.511 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.212 10.671 -19.957 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.266 11.332 -21.609 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.515 14.035 -20.876 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.132 13.803 -21.971 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.989 14.899 -20.577 1.00 0.00 H new ATOM 575 N MET A 41 1.569 10.672 -19.156 1.00 0.00 N ATOM 576 CA MET A 41 1.039 9.853 -18.029 1.00 0.00 C ATOM 577 C MET A 41 1.504 8.404 -18.186 1.00 0.00 C ATOM 578 O MET A 41 1.368 7.808 -19.236 1.00 0.00 O ATOM 579 CB MET A 41 -0.490 9.901 -18.040 1.00 0.00 C ATOM 580 CG MET A 41 -1.038 9.029 -16.909 1.00 0.00 C ATOM 581 SD MET A 41 -2.270 9.963 -15.969 1.00 0.00 S ATOM 582 CE MET A 41 -2.726 8.644 -14.819 1.00 0.00 C ATOM 0 H MET A 41 1.659 10.181 -20.045 1.00 0.00 H new ATOM 0 HA MET A 41 1.410 10.252 -17.085 1.00 0.00 H new ATOM 0 HB2 MET A 41 -0.833 10.929 -17.919 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.868 9.549 -19.000 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.487 8.124 -17.318 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.227 8.714 -16.253 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.490 9.008 -14.132 1.00 0.00 H new ATOM 0 HE2 MET A 41 -3.116 7.793 -15.378 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.847 8.335 -14.253 1.00 0.00 H new ATOM 592 N GLN A 42 2.053 7.832 -17.149 1.00 0.00 N ATOM 593 CA GLN A 42 2.524 6.421 -17.238 1.00 0.00 C ATOM 594 C GLN A 42 2.046 5.645 -16.009 1.00 0.00 C ATOM 595 O GLN A 42 2.389 5.964 -14.888 1.00 0.00 O ATOM 596 CB GLN A 42 4.054 6.396 -17.295 1.00 0.00 C ATOM 597 CG GLN A 42 4.566 5.060 -16.755 1.00 0.00 C ATOM 598 CD GLN A 42 5.979 4.801 -17.280 1.00 0.00 C ATOM 599 OE1 GLN A 42 6.158 4.442 -18.427 1.00 0.00 O ATOM 600 NE2 GLN A 42 6.998 4.969 -16.483 1.00 0.00 N ATOM 0 H GLN A 42 2.196 8.281 -16.244 1.00 0.00 H new ATOM 0 HA GLN A 42 2.120 5.959 -18.139 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.392 6.538 -18.321 1.00 0.00 H new ATOM 0 HB3 GLN A 42 4.463 7.218 -16.708 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.569 5.074 -15.665 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.900 4.253 -17.061 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.848 5.270 -15.520 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.945 4.799 -16.823 1.00 0.00 H new ATOM 609 N LEU A 43 1.256 4.625 -16.211 1.00 0.00 N ATOM 610 CA LEU A 43 0.757 3.826 -15.057 1.00 0.00 C ATOM 611 C LEU A 43 1.183 2.366 -15.231 1.00 0.00 C ATOM 612 O LEU A 43 0.949 1.762 -16.259 1.00 0.00 O ATOM 613 CB LEU A 43 -0.771 3.911 -15.000 1.00 0.00 C ATOM 614 CG LEU A 43 -1.264 3.429 -13.633 1.00 0.00 C ATOM 615 CD1 LEU A 43 -2.133 4.512 -12.990 1.00 0.00 C ATOM 616 CD2 LEU A 43 -2.090 2.153 -13.808 1.00 0.00 C ATOM 0 H LEU A 43 0.935 4.311 -17.127 1.00 0.00 H new ATOM 0 HA LEU A 43 1.175 4.220 -14.131 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.094 4.937 -15.173 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.209 3.302 -15.791 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.406 3.223 -12.992 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.483 4.167 -12.017 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.546 5.422 -12.863 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.990 4.719 -13.631 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.441 1.810 -12.835 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.946 2.359 -14.450 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.472 1.379 -14.264 1.00 0.00 H new ATOM 628 N GLN A 44 1.811 1.795 -14.240 1.00 0.00 N ATOM 629 CA GLN A 44 2.254 0.377 -14.358 1.00 0.00 C ATOM 630 C GLN A 44 1.355 -0.518 -13.502 1.00 0.00 C ATOM 631 O GLN A 44 0.572 -0.048 -12.702 1.00 0.00 O ATOM 632 CB GLN A 44 3.703 0.254 -13.876 1.00 0.00 C ATOM 633 CG GLN A 44 4.474 1.523 -14.247 1.00 0.00 C ATOM 634 CD GLN A 44 5.957 1.334 -13.917 1.00 0.00 C ATOM 635 OE1 GLN A 44 6.734 0.942 -14.764 1.00 0.00 O ATOM 636 NE2 GLN A 44 6.382 1.599 -12.711 1.00 0.00 N ATOM 0 H GLN A 44 2.036 2.248 -13.355 1.00 0.00 H new ATOM 0 HA GLN A 44 2.187 0.064 -15.400 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.727 0.104 -12.797 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.176 -0.617 -14.330 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.351 1.739 -15.308 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.075 2.377 -13.700 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.728 1.928 -12.001 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.368 1.477 -12.479 1.00 0.00 H new ATOM 645 N ILE A 45 1.465 -1.810 -13.667 1.00 0.00 N ATOM 646 CA ILE A 45 0.622 -2.742 -12.866 1.00 0.00 C ATOM 647 C ILE A 45 1.380 -4.057 -12.660 1.00 0.00 C ATOM 648 O ILE A 45 1.858 -4.661 -13.600 1.00 0.00 O ATOM 649 CB ILE A 45 -0.685 -3.022 -13.611 1.00 0.00 C ATOM 650 CG1 ILE A 45 -0.407 -3.110 -15.114 1.00 0.00 C ATOM 651 CG2 ILE A 45 -1.680 -1.890 -13.343 1.00 0.00 C ATOM 652 CD1 ILE A 45 -1.085 -4.356 -15.685 1.00 0.00 C ATOM 0 H ILE A 45 2.104 -2.259 -14.323 1.00 0.00 H new ATOM 0 HA ILE A 45 0.398 -2.290 -11.900 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.106 -3.965 -13.262 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.780 -2.217 -15.617 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.667 -3.152 -15.294 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.611 -2.090 -13.874 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.879 -1.826 -12.273 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.260 -0.946 -13.691 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.888 -4.420 -16.755 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.691 -5.244 -15.190 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.160 -4.294 -15.517 1.00 0.00 H new ATOM 664 N LYS A 46 1.497 -4.504 -11.440 1.00 0.00 N ATOM 665 CA LYS A 46 2.228 -5.776 -11.181 1.00 0.00 C ATOM 666 C LYS A 46 1.225 -6.922 -11.028 1.00 0.00 C ATOM 667 O LYS A 46 0.563 -7.047 -10.016 1.00 0.00 O ATOM 668 CB LYS A 46 3.049 -5.642 -9.897 1.00 0.00 C ATOM 669 CG LYS A 46 4.300 -6.517 -9.996 1.00 0.00 C ATOM 670 CD LYS A 46 4.624 -7.101 -8.620 1.00 0.00 C ATOM 671 CE LYS A 46 5.972 -7.822 -8.677 1.00 0.00 C ATOM 672 NZ LYS A 46 6.072 -8.589 -9.950 1.00 0.00 N ATOM 0 H LYS A 46 1.118 -4.044 -10.612 1.00 0.00 H new ATOM 0 HA LYS A 46 2.894 -5.987 -12.018 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.332 -4.601 -9.741 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.450 -5.942 -9.037 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.139 -7.320 -10.715 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.141 -5.927 -10.360 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.656 -6.307 -7.874 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.841 -7.795 -8.314 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.786 -7.100 -8.610 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.073 -8.495 -7.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.810 -9.316 -9.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.160 -9.045 -10.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.317 -7.942 -10.727 1.00 0.00 H new ATOM 686 N VAL A 47 1.110 -7.761 -12.021 1.00 0.00 N ATOM 687 CA VAL A 47 0.152 -8.900 -11.928 1.00 0.00 C ATOM 688 C VAL A 47 0.782 -10.023 -11.101 1.00 0.00 C ATOM 689 O VAL A 47 1.973 -10.254 -11.156 1.00 0.00 O ATOM 690 CB VAL A 47 -0.166 -9.417 -13.332 1.00 0.00 C ATOM 691 CG1 VAL A 47 -1.431 -10.279 -13.284 1.00 0.00 C ATOM 692 CG2 VAL A 47 -0.396 -8.231 -14.272 1.00 0.00 C ATOM 0 H VAL A 47 1.638 -7.707 -12.892 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.768 -8.565 -11.450 1.00 0.00 H new ATOM 0 HB VAL A 47 0.669 -10.015 -13.696 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.658 -10.648 -14.284 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.271 -11.123 -12.614 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.266 -9.680 -12.920 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.623 -8.599 -15.273 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.232 -7.634 -13.907 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.502 -7.615 -14.307 1.00 0.00 H new ATOM 702 N ASP A 48 -0.009 -10.724 -10.336 1.00 0.00 N ATOM 703 CA ASP A 48 0.545 -11.831 -9.506 1.00 0.00 C ATOM 704 C ASP A 48 0.766 -13.067 -10.381 1.00 0.00 C ATOM 705 O ASP A 48 1.729 -13.154 -11.116 1.00 0.00 O ATOM 706 CB ASP A 48 -0.439 -12.170 -8.384 1.00 0.00 C ATOM 707 CG ASP A 48 -0.059 -13.513 -7.759 1.00 0.00 C ATOM 708 OD1 ASP A 48 1.059 -13.628 -7.282 1.00 0.00 O ATOM 709 OD2 ASP A 48 -0.891 -14.405 -7.767 1.00 0.00 O ATOM 0 H ASP A 48 -1.015 -10.578 -10.250 1.00 0.00 H new ATOM 0 HA ASP A 48 1.496 -11.518 -9.074 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.425 -11.387 -7.626 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.454 -12.215 -8.778 1.00 0.00 H new ATOM 714 N ASP A 49 -0.117 -14.026 -10.306 1.00 0.00 N ATOM 715 CA ASP A 49 0.046 -15.256 -11.132 1.00 0.00 C ATOM 716 C ASP A 49 -1.331 -15.814 -11.500 1.00 0.00 C ATOM 717 O ASP A 49 -1.455 -16.934 -11.955 1.00 0.00 O ATOM 718 CB ASP A 49 0.825 -16.304 -10.333 1.00 0.00 C ATOM 719 CG ASP A 49 1.978 -16.843 -11.182 1.00 0.00 C ATOM 720 OD1 ASP A 49 3.003 -16.184 -11.239 1.00 0.00 O ATOM 721 OD2 ASP A 49 1.817 -17.905 -11.759 1.00 0.00 O ATOM 0 H ASP A 49 -0.944 -14.011 -9.709 1.00 0.00 H new ATOM 0 HA ASP A 49 0.592 -15.012 -12.044 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.212 -15.862 -9.415 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.163 -17.119 -10.041 1.00 0.00 H new ATOM 726 N ASN A 50 -2.366 -15.044 -11.306 1.00 0.00 N ATOM 727 CA ASN A 50 -3.732 -15.535 -11.646 1.00 0.00 C ATOM 728 C ASN A 50 -4.534 -14.409 -12.303 1.00 0.00 C ATOM 729 O ASN A 50 -5.693 -14.570 -12.631 1.00 0.00 O ATOM 730 CB ASN A 50 -4.443 -15.989 -10.369 1.00 0.00 C ATOM 731 CG ASN A 50 -3.404 -16.328 -9.299 1.00 0.00 C ATOM 732 OD1 ASN A 50 -3.133 -17.485 -9.043 1.00 0.00 O ATOM 733 ND2 ASN A 50 -2.806 -15.361 -8.659 1.00 0.00 N ATOM 0 H ASN A 50 -2.326 -14.098 -10.927 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.653 -16.374 -12.337 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.106 -15.202 -10.010 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -5.065 -16.860 -10.576 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.111 -15.576 -7.944 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -3.033 -14.390 -8.874 1.00 0.00 H new ATOM 740 N GLY A 51 -3.926 -13.270 -12.500 1.00 0.00 N ATOM 741 CA GLY A 51 -4.656 -12.137 -13.137 1.00 0.00 C ATOM 742 C GLY A 51 -4.940 -11.058 -12.091 1.00 0.00 C ATOM 743 O GLY A 51 -5.452 -10.000 -12.399 1.00 0.00 O ATOM 0 H GLY A 51 -2.957 -13.076 -12.248 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.063 -11.721 -13.952 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.591 -12.492 -13.572 1.00 0.00 H new ATOM 747 N ILE A 52 -4.611 -11.315 -10.854 1.00 0.00 N ATOM 748 CA ILE A 52 -4.863 -10.301 -9.790 1.00 0.00 C ATOM 749 C ILE A 52 -3.716 -9.289 -9.770 1.00 0.00 C ATOM 750 O ILE A 52 -2.571 -9.629 -9.992 1.00 0.00 O ATOM 751 CB ILE A 52 -4.950 -10.999 -8.431 1.00 0.00 C ATOM 752 CG1 ILE A 52 -6.038 -12.075 -8.481 1.00 0.00 C ATOM 753 CG2 ILE A 52 -5.298 -9.972 -7.350 1.00 0.00 C ATOM 754 CD1 ILE A 52 -7.398 -11.447 -8.171 1.00 0.00 C ATOM 0 H ILE A 52 -4.179 -12.182 -10.534 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.801 -9.785 -9.994 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.991 -11.461 -8.197 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.058 -12.541 -9.466 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.818 -12.863 -7.761 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.360 -10.469 -6.382 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.525 -9.205 -7.315 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.257 -9.510 -7.583 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.170 -12.215 -8.207 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.375 -11.002 -7.176 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.619 -10.675 -8.908 1.00 0.00 H new ATOM 766 N ILE A 53 -4.013 -8.045 -9.505 1.00 0.00 N ATOM 767 CA ILE A 53 -2.937 -7.015 -9.471 1.00 0.00 C ATOM 768 C ILE A 53 -2.374 -6.911 -8.052 1.00 0.00 C ATOM 769 O ILE A 53 -2.864 -6.155 -7.235 1.00 0.00 O ATOM 770 CB ILE A 53 -3.514 -5.661 -9.889 1.00 0.00 C ATOM 771 CG1 ILE A 53 -3.884 -5.701 -11.374 1.00 0.00 C ATOM 772 CG2 ILE A 53 -2.471 -4.568 -9.654 1.00 0.00 C ATOM 773 CD1 ILE A 53 -4.541 -4.378 -11.772 1.00 0.00 C ATOM 0 H ILE A 53 -4.953 -7.699 -9.311 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.141 -7.300 -10.158 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.404 -5.447 -9.298 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.993 -5.873 -11.977 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.565 -6.530 -11.568 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.882 -3.603 -9.952 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.206 -4.539 -8.597 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.581 -4.781 -10.246 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.805 -4.406 -12.829 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.442 -4.226 -11.177 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.845 -3.558 -11.593 1.00 0.00 H new ATOM 785 N GLU A 54 -1.349 -7.661 -7.752 1.00 0.00 N ATOM 786 CA GLU A 54 -0.757 -7.600 -6.386 1.00 0.00 C ATOM 787 C GLU A 54 -0.526 -6.139 -5.997 1.00 0.00 C ATOM 788 O GLU A 54 -0.979 -5.681 -4.966 1.00 0.00 O ATOM 789 CB GLU A 54 0.579 -8.350 -6.373 1.00 0.00 C ATOM 790 CG GLU A 54 0.601 -9.337 -5.205 1.00 0.00 C ATOM 791 CD GLU A 54 1.815 -10.259 -5.336 1.00 0.00 C ATOM 792 OE1 GLU A 54 1.948 -10.887 -6.374 1.00 0.00 O ATOM 793 OE2 GLU A 54 2.592 -10.321 -4.397 1.00 0.00 O ATOM 0 H GLU A 54 -0.896 -8.313 -8.393 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.439 -8.063 -5.673 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.718 -8.882 -7.314 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.404 -7.643 -6.281 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.642 -8.796 -4.259 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.316 -9.926 -5.196 1.00 0.00 H new ATOM 800 N ASP A 55 0.174 -5.401 -6.814 1.00 0.00 N ATOM 801 CA ASP A 55 0.431 -3.969 -6.492 1.00 0.00 C ATOM 802 C ASP A 55 0.234 -3.123 -7.751 1.00 0.00 C ATOM 803 O ASP A 55 -0.136 -3.622 -8.795 1.00 0.00 O ATOM 804 CB ASP A 55 1.866 -3.810 -5.986 1.00 0.00 C ATOM 805 CG ASP A 55 1.966 -2.551 -5.123 1.00 0.00 C ATOM 806 OD1 ASP A 55 1.053 -1.743 -5.179 1.00 0.00 O ATOM 807 OD2 ASP A 55 2.954 -2.417 -4.419 1.00 0.00 O ATOM 0 H ASP A 55 0.579 -5.728 -7.691 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.263 -3.638 -5.720 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.157 -4.686 -5.406 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.555 -3.742 -6.828 1.00 0.00 H new ATOM 812 N ALA A 56 0.477 -1.843 -7.662 1.00 0.00 N ATOM 813 CA ALA A 56 0.299 -0.970 -8.856 1.00 0.00 C ATOM 814 C ALA A 56 1.031 0.356 -8.636 1.00 0.00 C ATOM 815 O ALA A 56 0.696 1.120 -7.753 1.00 0.00 O ATOM 816 CB ALA A 56 -1.191 -0.698 -9.070 1.00 0.00 C ATOM 0 H ALA A 56 0.790 -1.366 -6.817 1.00 0.00 H new ATOM 0 HA ALA A 56 0.709 -1.469 -9.734 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.322 -0.059 -9.943 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.714 -1.641 -9.228 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.600 -0.199 -8.191 1.00 0.00 H new ATOM 822 N LYS A 57 2.025 0.637 -9.434 1.00 0.00 N ATOM 823 CA LYS A 57 2.771 1.916 -9.271 1.00 0.00 C ATOM 824 C LYS A 57 2.213 2.956 -10.244 1.00 0.00 C ATOM 825 O LYS A 57 1.868 2.646 -11.367 1.00 0.00 O ATOM 826 CB LYS A 57 4.255 1.686 -9.567 1.00 0.00 C ATOM 827 CG LYS A 57 5.054 2.925 -9.157 1.00 0.00 C ATOM 828 CD LYS A 57 6.512 2.536 -8.909 1.00 0.00 C ATOM 829 CE LYS A 57 7.279 3.745 -8.371 1.00 0.00 C ATOM 830 NZ LYS A 57 8.580 3.296 -7.799 1.00 0.00 N ATOM 0 H LYS A 57 2.352 0.037 -10.191 1.00 0.00 H new ATOM 0 HA LYS A 57 2.658 2.274 -8.248 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.614 0.812 -9.024 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.398 1.482 -10.628 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.997 3.682 -9.939 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.626 3.365 -8.256 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.564 1.713 -8.196 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.968 2.185 -9.835 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.451 4.465 -9.171 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.690 4.252 -7.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.101 4.119 -7.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.405 2.625 -7.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.143 2.831 -8.540 1.00 0.00 H new ATOM 844 N PHE A 58 2.120 4.187 -9.823 1.00 0.00 N ATOM 845 CA PHE A 58 1.582 5.245 -10.725 1.00 0.00 C ATOM 846 C PHE A 58 2.670 6.289 -10.990 1.00 0.00 C ATOM 847 O PHE A 58 3.649 6.373 -10.277 1.00 0.00 O ATOM 848 CB PHE A 58 0.380 5.919 -10.061 1.00 0.00 C ATOM 849 CG PHE A 58 0.588 5.958 -8.566 1.00 0.00 C ATOM 850 CD1 PHE A 58 0.554 4.772 -7.824 1.00 0.00 C ATOM 851 CD2 PHE A 58 0.817 7.180 -7.922 1.00 0.00 C ATOM 852 CE1 PHE A 58 0.748 4.807 -6.438 1.00 0.00 C ATOM 853 CE2 PHE A 58 1.011 7.215 -6.536 1.00 0.00 C ATOM 854 CZ PHE A 58 0.976 6.028 -5.794 1.00 0.00 C ATOM 0 H PHE A 58 2.393 4.506 -8.894 1.00 0.00 H new ATOM 0 HA PHE A 58 1.271 4.795 -11.668 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.257 6.930 -10.448 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.533 5.373 -10.298 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.378 3.829 -8.321 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.844 8.095 -8.494 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.722 3.891 -5.866 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.188 8.157 -6.039 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.125 6.055 -4.725 1.00 0.00 H new ATOM 864 N LYS A 59 2.504 7.085 -12.011 1.00 0.00 N ATOM 865 CA LYS A 59 3.528 8.123 -12.319 1.00 0.00 C ATOM 866 C LYS A 59 2.886 9.244 -13.138 1.00 0.00 C ATOM 867 O LYS A 59 2.750 9.147 -14.342 1.00 0.00 O ATOM 868 CB LYS A 59 4.669 7.494 -13.122 1.00 0.00 C ATOM 869 CG LYS A 59 5.779 8.527 -13.323 1.00 0.00 C ATOM 870 CD LYS A 59 6.831 7.968 -14.283 1.00 0.00 C ATOM 871 CE LYS A 59 8.137 8.750 -14.122 1.00 0.00 C ATOM 872 NZ LYS A 59 8.800 8.350 -12.849 1.00 0.00 N ATOM 0 H LYS A 59 1.705 7.061 -12.644 1.00 0.00 H new ATOM 0 HA LYS A 59 3.922 8.531 -11.388 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.060 6.622 -12.598 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.301 7.147 -14.088 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.362 9.451 -13.723 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.239 8.773 -12.366 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.000 6.911 -14.078 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.476 8.041 -15.311 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.798 8.553 -14.966 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.934 9.821 -14.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.815 8.570 -12.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.374 8.872 -12.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.674 7.329 -12.698 1.00 0.00 H new ATOM 886 N THR A 60 2.491 10.310 -12.496 1.00 0.00 N ATOM 887 CA THR A 60 1.859 11.436 -13.239 1.00 0.00 C ATOM 888 C THR A 60 2.722 12.691 -13.098 1.00 0.00 C ATOM 889 O THR A 60 3.031 13.125 -12.005 1.00 0.00 O ATOM 890 CB THR A 60 0.466 11.708 -12.665 1.00 0.00 C ATOM 891 OG1 THR A 60 0.529 12.820 -11.783 1.00 0.00 O ATOM 892 CG2 THR A 60 -0.024 10.476 -11.901 1.00 0.00 C ATOM 0 H THR A 60 2.579 10.449 -11.489 1.00 0.00 H new ATOM 0 HA THR A 60 1.773 11.172 -14.293 1.00 0.00 H new ATOM 0 HB THR A 60 -0.226 11.926 -13.478 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.265 13.381 -11.907 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.016 10.671 -11.493 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.072 9.623 -12.578 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.666 10.255 -11.087 1.00 0.00 H new ATOM 900 N TYR A 61 3.112 13.280 -14.196 1.00 0.00 N ATOM 901 CA TYR A 61 3.954 14.509 -14.124 1.00 0.00 C ATOM 902 C TYR A 61 3.684 15.384 -15.351 1.00 0.00 C ATOM 903 O TYR A 61 4.239 15.170 -16.411 1.00 0.00 O ATOM 904 CB TYR A 61 5.433 14.115 -14.094 1.00 0.00 C ATOM 905 CG TYR A 61 6.286 15.350 -14.259 1.00 0.00 C ATOM 906 CD1 TYR A 61 6.501 16.204 -13.170 1.00 0.00 C ATOM 907 CD2 TYR A 61 6.865 15.641 -15.500 1.00 0.00 C ATOM 908 CE1 TYR A 61 7.293 17.348 -13.322 1.00 0.00 C ATOM 909 CE2 TYR A 61 7.657 16.786 -15.652 1.00 0.00 C ATOM 910 CZ TYR A 61 7.872 17.639 -14.563 1.00 0.00 C ATOM 911 OH TYR A 61 8.653 18.766 -14.714 1.00 0.00 O ATOM 0 H TYR A 61 2.884 12.964 -15.139 1.00 0.00 H new ATOM 0 HA TYR A 61 3.708 15.065 -13.219 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.669 13.620 -13.152 1.00 0.00 H new ATOM 0 HB3 TYR A 61 5.647 13.403 -14.891 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.055 15.980 -12.212 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.701 14.982 -16.340 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.457 18.006 -12.482 1.00 0.00 H new ATOM 0 HE2 TYR A 61 8.102 17.011 -16.610 1.00 0.00 H new ATOM 0 HH TYR A 61 8.978 18.818 -15.637 1.00 0.00 H new ATOM 921 N GLY A 62 2.835 16.365 -15.217 1.00 0.00 N ATOM 922 CA GLY A 62 2.532 17.251 -16.377 1.00 0.00 C ATOM 923 C GLY A 62 1.429 18.240 -15.992 1.00 0.00 C ATOM 924 O GLY A 62 1.467 19.398 -16.356 1.00 0.00 O ATOM 0 H GLY A 62 2.338 16.592 -14.356 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.429 17.791 -16.680 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.216 16.653 -17.232 1.00 0.00 H new ATOM 928 N CYS A 63 0.446 17.793 -15.258 1.00 0.00 N ATOM 929 CA CYS A 63 -0.656 18.710 -14.853 1.00 0.00 C ATOM 930 C CYS A 63 -0.886 18.596 -13.344 1.00 0.00 C ATOM 931 O CYS A 63 -1.166 17.533 -12.828 1.00 0.00 O ATOM 932 CB CYS A 63 -1.937 18.327 -15.595 1.00 0.00 C ATOM 933 SG CYS A 63 -3.198 19.597 -15.315 1.00 0.00 S ATOM 0 H CYS A 63 0.359 16.834 -14.922 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.385 19.736 -15.103 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.736 18.227 -16.662 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -2.297 17.359 -15.246 1.00 0.00 H new ATOM 0 HG CYS A 63 -4.287 19.274 -15.947 1.00 0.00 H new ATOM 939 N GLY A 64 -0.768 19.684 -12.633 1.00 0.00 N ATOM 940 CA GLY A 64 -0.978 19.638 -11.159 1.00 0.00 C ATOM 941 C GLY A 64 -2.473 19.522 -10.856 1.00 0.00 C ATOM 942 O GLY A 64 -3.005 20.231 -10.027 1.00 0.00 O ATOM 0 H GLY A 64 -0.535 20.603 -13.010 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.443 18.790 -10.732 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.572 20.537 -10.696 1.00 0.00 H new ATOM 946 N SER A 65 -3.155 18.631 -11.522 1.00 0.00 N ATOM 947 CA SER A 65 -4.616 18.472 -11.270 1.00 0.00 C ATOM 948 C SER A 65 -5.055 17.064 -11.674 1.00 0.00 C ATOM 949 O SER A 65 -6.220 16.723 -11.604 1.00 0.00 O ATOM 950 CB SER A 65 -5.389 19.504 -12.092 1.00 0.00 C ATOM 951 OG SER A 65 -6.333 18.834 -12.917 1.00 0.00 O ATOM 0 H SER A 65 -2.765 18.007 -12.229 1.00 0.00 H new ATOM 0 HA SER A 65 -4.820 18.624 -10.210 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.899 20.205 -11.431 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.702 20.087 -12.705 1.00 0.00 H new ATOM 0 HG SER A 65 -6.876 18.230 -12.369 1.00 0.00 H new ATOM 957 N ALA A 66 -4.135 16.241 -12.096 1.00 0.00 N ATOM 958 CA ALA A 66 -4.503 14.855 -12.503 1.00 0.00 C ATOM 959 C ALA A 66 -4.042 13.869 -11.428 1.00 0.00 C ATOM 960 O ALA A 66 -4.301 12.684 -11.506 1.00 0.00 O ATOM 961 CB ALA A 66 -3.824 14.517 -13.831 1.00 0.00 C ATOM 0 H ALA A 66 -3.144 16.468 -12.177 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.584 14.785 -12.620 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.093 13.504 -14.129 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.152 15.220 -14.597 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.742 14.586 -13.715 1.00 0.00 H new ATOM 967 N ILE A 67 -3.360 14.348 -10.424 1.00 0.00 N ATOM 968 CA ILE A 67 -2.881 13.439 -9.344 1.00 0.00 C ATOM 969 C ILE A 67 -4.081 12.799 -8.643 1.00 0.00 C ATOM 970 O ILE A 67 -4.288 11.604 -8.713 1.00 0.00 O ATOM 971 CB ILE A 67 -2.066 14.243 -8.330 1.00 0.00 C ATOM 972 CG1 ILE A 67 -0.850 14.856 -9.027 1.00 0.00 C ATOM 973 CG2 ILE A 67 -1.597 13.320 -7.204 1.00 0.00 C ATOM 974 CD1 ILE A 67 -1.049 16.366 -9.165 1.00 0.00 C ATOM 0 H ILE A 67 -3.113 15.331 -10.305 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.257 12.657 -9.776 1.00 0.00 H new ATOM 0 HB ILE A 67 -2.686 15.037 -7.913 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.054 14.648 -8.454 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.715 14.405 -10.010 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.016 13.893 -6.482 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.463 12.882 -6.708 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.977 12.526 -7.619 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.183 16.803 -9.662 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.944 16.563 -9.756 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.163 16.810 -8.176 1.00 0.00 H new ATOM 986 N ALA A 68 -4.874 13.585 -7.967 1.00 0.00 N ATOM 987 CA ALA A 68 -6.059 13.022 -7.260 1.00 0.00 C ATOM 988 C ALA A 68 -6.649 11.874 -8.082 1.00 0.00 C ATOM 989 O ALA A 68 -6.542 10.720 -7.720 1.00 0.00 O ATOM 990 CB ALA A 68 -7.115 14.115 -7.083 1.00 0.00 C ATOM 0 H ALA A 68 -4.752 14.593 -7.874 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.753 12.649 -6.283 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.982 13.703 -6.566 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.697 14.933 -6.496 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.419 14.489 -8.061 1.00 0.00 H new ATOM 996 N SER A 69 -7.270 12.181 -9.188 1.00 0.00 N ATOM 997 CA SER A 69 -7.866 11.106 -10.031 1.00 0.00 C ATOM 998 C SER A 69 -6.905 9.918 -10.098 1.00 0.00 C ATOM 999 O SER A 69 -7.231 8.819 -9.694 1.00 0.00 O ATOM 1000 CB SER A 69 -8.112 11.642 -11.442 1.00 0.00 C ATOM 1001 OG SER A 69 -7.197 12.697 -11.710 1.00 0.00 O ATOM 0 H SER A 69 -7.390 13.129 -9.544 1.00 0.00 H new ATOM 0 HA SER A 69 -8.811 10.784 -9.594 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.988 10.843 -12.173 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.137 12.002 -11.533 1.00 0.00 H new ATOM 0 HG SER A 69 -7.081 12.791 -12.679 1.00 0.00 H new ATOM 1007 N SER A 70 -5.721 10.128 -10.604 1.00 0.00 N ATOM 1008 CA SER A 70 -4.741 9.009 -10.694 1.00 0.00 C ATOM 1009 C SER A 70 -4.712 8.253 -9.365 1.00 0.00 C ATOM 1010 O SER A 70 -4.776 7.040 -9.329 1.00 0.00 O ATOM 1011 CB SER A 70 -3.351 9.572 -10.994 1.00 0.00 C ATOM 1012 OG SER A 70 -2.885 10.296 -9.863 1.00 0.00 O ATOM 0 H SER A 70 -5.390 11.025 -10.959 1.00 0.00 H new ATOM 0 HA SER A 70 -5.035 8.328 -11.493 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.661 8.762 -11.232 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.390 10.224 -11.867 1.00 0.00 H new ATOM 0 HG SER A 70 -3.610 10.852 -9.509 1.00 0.00 H new ATOM 1018 N SER A 71 -4.618 8.959 -8.271 1.00 0.00 N ATOM 1019 CA SER A 71 -4.588 8.279 -6.946 1.00 0.00 C ATOM 1020 C SER A 71 -5.849 7.430 -6.784 1.00 0.00 C ATOM 1021 O SER A 71 -5.876 6.475 -6.033 1.00 0.00 O ATOM 1022 CB SER A 71 -4.534 9.330 -5.836 1.00 0.00 C ATOM 1023 OG SER A 71 -3.681 10.393 -6.238 1.00 0.00 O ATOM 0 H SER A 71 -4.561 9.977 -8.238 1.00 0.00 H new ATOM 0 HA SER A 71 -3.708 7.639 -6.883 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.535 9.709 -5.630 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.166 8.882 -4.913 1.00 0.00 H new ATOM 0 HG SER A 71 -4.185 11.025 -6.792 1.00 0.00 H new ATOM 1029 N LEU A 72 -6.896 7.769 -7.486 1.00 0.00 N ATOM 1030 CA LEU A 72 -8.156 6.981 -7.375 1.00 0.00 C ATOM 1031 C LEU A 72 -8.027 5.702 -8.205 1.00 0.00 C ATOM 1032 O LEU A 72 -7.910 4.616 -7.674 1.00 0.00 O ATOM 1033 CB LEU A 72 -9.327 7.813 -7.901 1.00 0.00 C ATOM 1034 CG LEU A 72 -10.587 7.481 -7.101 1.00 0.00 C ATOM 1035 CD1 LEU A 72 -10.646 8.360 -5.851 1.00 0.00 C ATOM 1036 CD2 LEU A 72 -11.823 7.742 -7.966 1.00 0.00 C ATOM 0 H LEU A 72 -6.933 8.558 -8.132 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.335 6.724 -6.331 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.099 8.876 -7.817 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.489 7.605 -8.959 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.563 6.432 -6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.545 8.123 -5.281 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.766 8.175 -5.235 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -10.669 9.409 -6.145 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.722 7.506 -7.397 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.846 8.791 -8.261 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.783 7.115 -8.857 1.00 0.00 H new ATOM 1048 N ILE A 73 -8.043 5.822 -9.505 1.00 0.00 N ATOM 1049 CA ILE A 73 -7.917 4.612 -10.364 1.00 0.00 C ATOM 1050 C ILE A 73 -6.872 3.674 -9.758 1.00 0.00 C ATOM 1051 O ILE A 73 -6.894 2.479 -9.979 1.00 0.00 O ATOM 1052 CB ILE A 73 -7.484 5.028 -11.772 1.00 0.00 C ATOM 1053 CG1 ILE A 73 -6.728 3.875 -12.437 1.00 0.00 C ATOM 1054 CG2 ILE A 73 -6.571 6.253 -11.686 1.00 0.00 C ATOM 1055 CD1 ILE A 73 -6.566 4.162 -13.930 1.00 0.00 C ATOM 0 H ILE A 73 -8.138 6.704 -10.008 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.877 4.099 -10.422 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.366 5.273 -12.364 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.750 3.752 -11.972 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.270 2.940 -12.293 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.263 6.548 -12.689 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.109 7.075 -11.215 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.690 6.009 -11.093 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.028 3.340 -14.402 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.549 4.263 -14.390 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.006 5.087 -14.064 1.00 0.00 H new ATOM 1067 N THR A 74 -5.958 4.205 -8.992 1.00 0.00 N ATOM 1068 CA THR A 74 -4.914 3.344 -8.369 1.00 0.00 C ATOM 1069 C THR A 74 -5.529 2.571 -7.200 1.00 0.00 C ATOM 1070 O THR A 74 -5.486 1.357 -7.155 1.00 0.00 O ATOM 1071 CB THR A 74 -3.770 4.222 -7.855 1.00 0.00 C ATOM 1072 OG1 THR A 74 -4.272 5.512 -7.536 1.00 0.00 O ATOM 1073 CG2 THR A 74 -2.692 4.342 -8.932 1.00 0.00 C ATOM 0 H THR A 74 -5.890 5.198 -8.771 1.00 0.00 H new ATOM 0 HA THR A 74 -4.528 2.642 -9.109 1.00 0.00 H new ATOM 0 HB THR A 74 -3.337 3.770 -6.962 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.232 6.084 -8.331 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.878 4.967 -8.564 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.307 3.351 -9.174 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.120 4.793 -9.827 1.00 0.00 H new ATOM 1081 N GLU A 75 -6.105 3.264 -6.257 1.00 0.00 N ATOM 1082 CA GLU A 75 -6.726 2.570 -5.094 1.00 0.00 C ATOM 1083 C GLU A 75 -7.831 1.637 -5.592 1.00 0.00 C ATOM 1084 O GLU A 75 -8.291 0.766 -4.880 1.00 0.00 O ATOM 1085 CB GLU A 75 -7.326 3.609 -4.143 1.00 0.00 C ATOM 1086 CG GLU A 75 -7.402 3.029 -2.730 1.00 0.00 C ATOM 1087 CD GLU A 75 -8.263 3.938 -1.851 1.00 0.00 C ATOM 1088 OE1 GLU A 75 -9.420 4.126 -2.184 1.00 0.00 O ATOM 1089 OE2 GLU A 75 -7.748 4.429 -0.860 1.00 0.00 O ATOM 0 H GLU A 75 -6.173 4.282 -6.242 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.968 1.990 -4.567 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.716 4.512 -4.144 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.321 3.896 -4.483 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.827 2.026 -2.760 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.401 2.939 -2.308 1.00 0.00 H new ATOM 1096 N TRP A 76 -8.261 1.813 -6.812 1.00 0.00 N ATOM 1097 CA TRP A 76 -9.337 0.939 -7.358 1.00 0.00 C ATOM 1098 C TRP A 76 -8.712 -0.302 -8.000 1.00 0.00 C ATOM 1099 O TRP A 76 -9.285 -1.374 -7.990 1.00 0.00 O ATOM 1100 CB TRP A 76 -10.131 1.711 -8.414 1.00 0.00 C ATOM 1101 CG TRP A 76 -11.592 1.437 -8.246 1.00 0.00 C ATOM 1102 CD1 TRP A 76 -12.118 0.277 -7.790 1.00 0.00 C ATOM 1103 CD2 TRP A 76 -12.720 2.316 -8.525 1.00 0.00 C ATOM 1104 NE1 TRP A 76 -13.497 0.389 -7.770 1.00 0.00 N ATOM 1105 CE2 TRP A 76 -13.916 1.628 -8.214 1.00 0.00 C ATOM 1106 CE3 TRP A 76 -12.819 3.632 -9.013 1.00 0.00 C ATOM 1107 CZ2 TRP A 76 -15.166 2.224 -8.381 1.00 0.00 C ATOM 1108 CZ3 TRP A 76 -14.076 4.235 -9.182 1.00 0.00 C ATOM 1109 CH2 TRP A 76 -15.248 3.532 -8.866 1.00 0.00 C ATOM 0 H TRP A 76 -7.913 2.525 -7.454 1.00 0.00 H new ATOM 0 HA TRP A 76 -10.002 0.634 -6.550 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -9.938 2.780 -8.319 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -9.808 1.417 -9.413 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -11.554 -0.594 -7.491 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -14.127 -0.353 -7.465 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -11.923 4.182 -9.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -16.065 1.678 -8.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -14.141 5.246 -9.557 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -16.212 4.001 -8.997 1.00 0.00 H new ATOM 1120 N VAL A 77 -7.543 -0.165 -8.564 1.00 0.00 N ATOM 1121 CA VAL A 77 -6.885 -1.335 -9.211 1.00 0.00 C ATOM 1122 C VAL A 77 -5.755 -1.849 -8.317 1.00 0.00 C ATOM 1123 O VAL A 77 -4.620 -1.960 -8.738 1.00 0.00 O ATOM 1124 CB VAL A 77 -6.312 -0.913 -10.563 1.00 0.00 C ATOM 1125 CG1 VAL A 77 -7.417 -0.288 -11.416 1.00 0.00 C ATOM 1126 CG2 VAL A 77 -5.196 0.111 -10.345 1.00 0.00 C ATOM 0 H VAL A 77 -7.015 0.707 -8.605 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.619 -2.127 -9.357 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.910 -1.787 -11.075 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.007 0.012 -12.380 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.213 -1.017 -11.572 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.820 0.586 -10.905 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.786 0.413 -11.309 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.599 0.984 -9.832 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.407 -0.334 -9.739 1.00 0.00 H new ATOM 1136 N LYS A 78 -6.055 -2.168 -7.088 1.00 0.00 N ATOM 1137 CA LYS A 78 -4.997 -2.678 -6.172 1.00 0.00 C ATOM 1138 C LYS A 78 -5.480 -3.972 -5.512 1.00 0.00 C ATOM 1139 O LYS A 78 -6.000 -3.963 -4.412 1.00 0.00 O ATOM 1140 CB LYS A 78 -4.705 -1.632 -5.094 1.00 0.00 C ATOM 1141 CG LYS A 78 -3.266 -1.794 -4.603 1.00 0.00 C ATOM 1142 CD LYS A 78 -2.321 -1.035 -5.536 1.00 0.00 C ATOM 1143 CE LYS A 78 -2.071 0.366 -4.977 1.00 0.00 C ATOM 1144 NZ LYS A 78 -1.117 0.283 -3.835 1.00 0.00 N ATOM 0 H LYS A 78 -6.987 -2.097 -6.679 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.087 -2.875 -6.739 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.853 -0.629 -5.495 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.400 -1.748 -4.262 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.173 -1.414 -3.586 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.997 -2.850 -4.575 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.378 -1.573 -5.633 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.754 -0.968 -6.534 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.667 1.013 -5.756 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.010 0.811 -4.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.699 1.220 -3.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.622 -0.033 -2.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.362 -0.396 -4.062 1.00 0.00 H new ATOM 1158 N GLY A 79 -5.316 -5.084 -6.173 1.00 0.00 N ATOM 1159 CA GLY A 79 -5.768 -6.376 -5.584 1.00 0.00 C ATOM 1160 C GLY A 79 -6.931 -6.932 -6.407 1.00 0.00 C ATOM 1161 O GLY A 79 -7.289 -8.087 -6.294 1.00 0.00 O ATOM 0 H GLY A 79 -4.888 -5.154 -7.096 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.944 -7.090 -5.570 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.079 -6.228 -4.550 1.00 0.00 H new ATOM 1165 N LYS A 80 -7.525 -6.117 -7.237 1.00 0.00 N ATOM 1166 CA LYS A 80 -8.666 -6.598 -8.066 1.00 0.00 C ATOM 1167 C LYS A 80 -8.130 -7.410 -9.247 1.00 0.00 C ATOM 1168 O LYS A 80 -6.948 -7.670 -9.349 1.00 0.00 O ATOM 1169 CB LYS A 80 -9.459 -5.399 -8.589 1.00 0.00 C ATOM 1170 CG LYS A 80 -9.639 -4.376 -7.465 1.00 0.00 C ATOM 1171 CD LYS A 80 -10.611 -4.929 -6.421 1.00 0.00 C ATOM 1172 CE LYS A 80 -11.359 -3.770 -5.756 1.00 0.00 C ATOM 1173 NZ LYS A 80 -10.405 -2.660 -5.472 1.00 0.00 N ATOM 0 H LYS A 80 -7.269 -5.140 -7.376 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.318 -7.226 -7.458 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.937 -4.943 -9.430 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.432 -5.725 -8.957 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.677 -4.157 -7.001 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.019 -3.438 -7.870 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.319 -5.610 -6.893 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.068 -5.503 -5.671 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.159 -3.418 -6.407 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.826 -4.108 -4.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -10.782 -2.066 -4.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.488 -3.056 -5.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -10.279 -2.083 -6.328 1.00 0.00 H new ATOM 1187 N SER A 81 -8.992 -7.815 -10.141 1.00 0.00 N ATOM 1188 CA SER A 81 -8.530 -8.611 -11.313 1.00 0.00 C ATOM 1189 C SER A 81 -8.631 -7.762 -12.583 1.00 0.00 C ATOM 1190 O SER A 81 -9.133 -6.656 -12.564 1.00 0.00 O ATOM 1191 CB SER A 81 -9.405 -9.856 -11.460 1.00 0.00 C ATOM 1192 OG SER A 81 -9.194 -10.711 -10.343 1.00 0.00 O ATOM 0 H SER A 81 -9.994 -7.629 -10.110 1.00 0.00 H new ATOM 0 HA SER A 81 -7.493 -8.911 -11.161 1.00 0.00 H new ATOM 0 HB2 SER A 81 -10.455 -9.572 -11.522 1.00 0.00 H new ATOM 0 HB3 SER A 81 -9.161 -10.379 -12.385 1.00 0.00 H new ATOM 0 HG SER A 81 -9.754 -11.510 -10.432 1.00 0.00 H new ATOM 1198 N LEU A 82 -8.158 -8.274 -13.687 1.00 0.00 N ATOM 1199 CA LEU A 82 -8.227 -7.498 -14.958 1.00 0.00 C ATOM 1200 C LEU A 82 -9.689 -7.280 -15.348 1.00 0.00 C ATOM 1201 O LEU A 82 -10.025 -6.332 -16.032 1.00 0.00 O ATOM 1202 CB LEU A 82 -7.513 -8.273 -16.068 1.00 0.00 C ATOM 1203 CG LEU A 82 -6.018 -8.364 -15.751 1.00 0.00 C ATOM 1204 CD1 LEU A 82 -5.558 -9.819 -15.866 1.00 0.00 C ATOM 1205 CD2 LEU A 82 -5.233 -7.504 -16.744 1.00 0.00 C ATOM 0 H LEU A 82 -7.727 -9.195 -13.764 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.742 -6.532 -14.818 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.937 -9.273 -16.158 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.662 -7.776 -17.026 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.841 -8.005 -14.737 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.494 -9.883 -15.640 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.116 -10.434 -15.160 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.736 -10.178 -16.880 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.168 -7.568 -16.519 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.412 -7.863 -17.757 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.559 -6.467 -16.664 1.00 0.00 H new ATOM 1217 N GLU A 83 -10.563 -8.149 -14.920 1.00 0.00 N ATOM 1218 CA GLU A 83 -12.004 -7.991 -15.269 1.00 0.00 C ATOM 1219 C GLU A 83 -12.547 -6.710 -14.631 1.00 0.00 C ATOM 1220 O GLU A 83 -13.584 -6.206 -15.014 1.00 0.00 O ATOM 1221 CB GLU A 83 -12.789 -9.194 -14.744 1.00 0.00 C ATOM 1222 CG GLU A 83 -14.146 -9.263 -15.447 1.00 0.00 C ATOM 1223 CD GLU A 83 -15.155 -9.972 -14.541 1.00 0.00 C ATOM 1224 OE1 GLU A 83 -15.343 -9.513 -13.427 1.00 0.00 O ATOM 1225 OE2 GLU A 83 -15.721 -10.960 -14.977 1.00 0.00 O ATOM 0 H GLU A 83 -10.342 -8.961 -14.344 1.00 0.00 H new ATOM 0 HA GLU A 83 -12.111 -7.930 -16.352 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.229 -10.112 -14.920 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.929 -9.108 -13.667 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.497 -8.258 -15.683 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -14.051 -9.798 -16.392 1.00 0.00 H new ATOM 1232 N GLU A 84 -11.855 -6.181 -13.658 1.00 0.00 N ATOM 1233 CA GLU A 84 -12.335 -4.935 -12.997 1.00 0.00 C ATOM 1234 C GLU A 84 -11.572 -3.731 -13.557 1.00 0.00 C ATOM 1235 O GLU A 84 -12.132 -2.673 -13.762 1.00 0.00 O ATOM 1236 CB GLU A 84 -12.097 -5.033 -11.489 1.00 0.00 C ATOM 1237 CG GLU A 84 -13.140 -4.190 -10.752 1.00 0.00 C ATOM 1238 CD GLU A 84 -13.011 -4.419 -9.246 1.00 0.00 C ATOM 1239 OE1 GLU A 84 -12.109 -3.849 -8.654 1.00 0.00 O ATOM 1240 OE2 GLU A 84 -13.818 -5.159 -8.707 1.00 0.00 O ATOM 0 H GLU A 84 -10.980 -6.557 -13.293 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.401 -4.810 -13.190 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.160 -6.072 -11.167 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.094 -4.684 -11.245 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.999 -3.134 -10.983 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.142 -4.458 -11.087 1.00 0.00 H new ATOM 1247 N ALA A 85 -10.299 -3.883 -13.803 1.00 0.00 N ATOM 1248 CA ALA A 85 -9.506 -2.744 -14.348 1.00 0.00 C ATOM 1249 C ALA A 85 -9.839 -2.553 -15.830 1.00 0.00 C ATOM 1250 O ALA A 85 -9.700 -1.475 -16.373 1.00 0.00 O ATOM 1251 CB ALA A 85 -8.013 -3.043 -14.196 1.00 0.00 C ATOM 0 H ALA A 85 -9.775 -4.745 -13.651 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.753 -1.835 -13.800 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.433 -2.211 -14.594 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.775 -3.179 -13.141 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.766 -3.952 -14.744 1.00 0.00 H new ATOM 1257 N GLY A 86 -10.277 -3.591 -16.488 1.00 0.00 N ATOM 1258 CA GLY A 86 -10.618 -3.467 -17.934 1.00 0.00 C ATOM 1259 C GLY A 86 -12.137 -3.415 -18.100 1.00 0.00 C ATOM 1260 O GLY A 86 -12.718 -4.186 -18.837 1.00 0.00 O ATOM 0 H GLY A 86 -10.414 -4.519 -16.088 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -10.166 -2.566 -18.349 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -10.210 -4.313 -18.488 1.00 0.00 H new ATOM 1264 N ALA A 87 -12.787 -2.509 -17.420 1.00 0.00 N ATOM 1265 CA ALA A 87 -14.268 -2.408 -17.541 1.00 0.00 C ATOM 1266 C ALA A 87 -14.754 -1.158 -16.805 1.00 0.00 C ATOM 1267 O ALA A 87 -15.680 -0.497 -17.231 1.00 0.00 O ATOM 1268 CB ALA A 87 -14.917 -3.648 -16.924 1.00 0.00 C ATOM 0 H ALA A 87 -12.356 -1.836 -16.787 1.00 0.00 H new ATOM 0 HA ALA A 87 -14.543 -2.341 -18.594 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -16.001 -3.574 -17.013 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -14.570 -4.539 -17.448 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -14.643 -3.716 -15.871 1.00 0.00 H new ATOM 1274 N ILE A 88 -14.137 -0.828 -15.704 1.00 0.00 N ATOM 1275 CA ILE A 88 -14.564 0.379 -14.944 1.00 0.00 C ATOM 1276 C ILE A 88 -15.000 1.470 -15.925 1.00 0.00 C ATOM 1277 O ILE A 88 -16.007 2.124 -15.735 1.00 0.00 O ATOM 1278 CB ILE A 88 -13.398 0.891 -14.097 1.00 0.00 C ATOM 1279 CG1 ILE A 88 -12.077 0.512 -14.771 1.00 0.00 C ATOM 1280 CG2 ILE A 88 -13.462 0.256 -12.706 1.00 0.00 C ATOM 1281 CD1 ILE A 88 -10.908 1.065 -13.953 1.00 0.00 C ATOM 0 H ILE A 88 -13.355 -1.343 -15.298 1.00 0.00 H new ATOM 0 HA ILE A 88 -15.398 0.120 -14.292 1.00 0.00 H new ATOM 0 HB ILE A 88 -13.462 1.975 -14.004 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.996 -0.572 -14.853 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -12.046 0.911 -15.785 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -12.631 0.620 -12.101 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.404 0.523 -12.227 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.396 -0.828 -12.798 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.968 0.795 -14.433 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.987 2.151 -13.894 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -10.936 0.644 -12.948 1.00 0.00 H new ATOM 1293 N LYS A 89 -14.251 1.669 -16.976 1.00 0.00 N ATOM 1294 CA LYS A 89 -14.625 2.714 -17.970 1.00 0.00 C ATOM 1295 C LYS A 89 -14.581 4.091 -17.307 1.00 0.00 C ATOM 1296 O LYS A 89 -15.295 4.358 -16.360 1.00 0.00 O ATOM 1297 CB LYS A 89 -16.042 2.441 -18.484 1.00 0.00 C ATOM 1298 CG LYS A 89 -15.990 2.100 -19.975 1.00 0.00 C ATOM 1299 CD LYS A 89 -17.415 1.978 -20.519 1.00 0.00 C ATOM 1300 CE LYS A 89 -17.861 0.516 -20.458 1.00 0.00 C ATOM 1301 NZ LYS A 89 -17.480 -0.174 -21.723 1.00 0.00 N ATOM 0 H LYS A 89 -13.397 1.153 -17.189 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.923 2.691 -18.803 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -16.489 1.617 -17.928 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -16.673 3.315 -18.322 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -15.447 2.874 -20.517 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.450 1.166 -20.127 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -18.093 2.601 -19.935 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -17.455 2.339 -21.547 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -17.397 0.019 -19.606 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -18.940 0.460 -20.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -17.783 -1.168 -21.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -17.942 0.296 -22.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -16.448 -0.132 -21.844 1.00 0.00 H new ATOM 1315 N ASN A 90 -13.752 4.971 -17.799 1.00 0.00 N ATOM 1316 CA ASN A 90 -13.672 6.331 -17.196 1.00 0.00 C ATOM 1317 C ASN A 90 -15.084 6.811 -16.860 1.00 0.00 C ATOM 1318 O ASN A 90 -15.282 7.626 -15.981 1.00 0.00 O ATOM 1319 CB ASN A 90 -13.026 7.296 -18.193 1.00 0.00 C ATOM 1320 CG ASN A 90 -13.838 7.309 -19.490 1.00 0.00 C ATOM 1321 OD1 ASN A 90 -14.846 6.640 -19.597 1.00 0.00 O ATOM 1322 ND2 ASN A 90 -13.437 8.049 -20.487 1.00 0.00 N ATOM 0 H ASN A 90 -13.129 4.808 -18.590 1.00 0.00 H new ATOM 0 HA ASN A 90 -13.069 6.297 -16.288 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -12.983 8.299 -17.769 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -11.999 6.992 -18.397 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -13.970 8.066 -21.356 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -12.590 8.611 -20.397 1.00 0.00 H new ATOM 1329 N SER A 91 -16.067 6.308 -17.553 1.00 0.00 N ATOM 1330 CA SER A 91 -17.468 6.729 -17.276 1.00 0.00 C ATOM 1331 C SER A 91 -17.743 6.608 -15.776 1.00 0.00 C ATOM 1332 O SER A 91 -18.438 7.418 -15.194 1.00 0.00 O ATOM 1333 CB SER A 91 -18.434 5.828 -18.047 1.00 0.00 C ATOM 1334 OG SER A 91 -17.890 5.545 -19.328 1.00 0.00 O ATOM 0 H SER A 91 -15.960 5.622 -18.301 1.00 0.00 H new ATOM 0 HA SER A 91 -17.609 7.763 -17.592 1.00 0.00 H new ATOM 0 HB2 SER A 91 -18.602 4.902 -17.498 1.00 0.00 H new ATOM 0 HB3 SER A 91 -19.402 6.318 -18.150 1.00 0.00 H new ATOM 0 HG SER A 91 -18.506 4.966 -19.824 1.00 0.00 H new ATOM 1340 N GLN A 92 -17.201 5.603 -15.146 1.00 0.00 N ATOM 1341 CA GLN A 92 -17.429 5.428 -13.684 1.00 0.00 C ATOM 1342 C GLN A 92 -16.440 6.303 -12.910 1.00 0.00 C ATOM 1343 O GLN A 92 -16.826 7.179 -12.161 1.00 0.00 O ATOM 1344 CB GLN A 92 -17.215 3.961 -13.307 1.00 0.00 C ATOM 1345 CG GLN A 92 -18.162 3.584 -12.167 1.00 0.00 C ATOM 1346 CD GLN A 92 -17.872 2.153 -11.714 1.00 0.00 C ATOM 1347 OE1 GLN A 92 -17.245 1.393 -12.426 1.00 0.00 O ATOM 1348 NE2 GLN A 92 -18.303 1.749 -10.550 1.00 0.00 N ATOM 0 H GLN A 92 -16.610 4.895 -15.581 1.00 0.00 H new ATOM 0 HA GLN A 92 -18.449 5.721 -13.435 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -17.397 3.322 -14.171 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -16.181 3.800 -13.003 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -18.036 4.273 -11.332 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -19.197 3.669 -12.497 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -18.829 2.386 -9.952 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -18.114 0.796 -10.239 1.00 0.00 H new ATOM 1357 N ILE A 93 -15.169 6.075 -13.088 1.00 0.00 N ATOM 1358 CA ILE A 93 -14.155 6.894 -12.366 1.00 0.00 C ATOM 1359 C ILE A 93 -14.607 8.355 -12.340 1.00 0.00 C ATOM 1360 O ILE A 93 -14.592 9.003 -11.311 1.00 0.00 O ATOM 1361 CB ILE A 93 -12.810 6.790 -13.086 1.00 0.00 C ATOM 1362 CG1 ILE A 93 -12.381 5.323 -13.155 1.00 0.00 C ATOM 1363 CG2 ILE A 93 -11.756 7.594 -12.323 1.00 0.00 C ATOM 1364 CD1 ILE A 93 -11.233 5.169 -14.156 1.00 0.00 C ATOM 0 H ILE A 93 -14.788 5.356 -13.703 1.00 0.00 H new ATOM 0 HA ILE A 93 -14.050 6.527 -11.345 1.00 0.00 H new ATOM 0 HB ILE A 93 -12.908 7.189 -14.096 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -12.066 4.979 -12.170 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -13.224 4.701 -13.455 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -10.798 7.519 -12.838 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -12.061 8.639 -12.274 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -11.657 7.198 -11.312 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -10.929 4.123 -14.203 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -11.564 5.496 -15.142 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -10.388 5.778 -13.837 1.00 0.00 H new ATOM 1376 N ALA A 94 -15.009 8.882 -13.464 1.00 0.00 N ATOM 1377 CA ALA A 94 -15.459 10.302 -13.505 1.00 0.00 C ATOM 1378 C ALA A 94 -16.822 10.427 -12.820 1.00 0.00 C ATOM 1379 O ALA A 94 -17.000 11.207 -11.906 1.00 0.00 O ATOM 1380 CB ALA A 94 -15.574 10.758 -14.961 1.00 0.00 C ATOM 0 H ALA A 94 -15.045 8.390 -14.357 1.00 0.00 H new ATOM 0 HA ALA A 94 -14.734 10.928 -12.985 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -15.903 11.797 -14.992 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -14.603 10.670 -15.447 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -16.298 10.132 -15.482 1.00 0.00 H new ATOM 1386 N GLU A 95 -17.789 9.666 -13.257 1.00 0.00 N ATOM 1387 CA GLU A 95 -19.139 9.743 -12.633 1.00 0.00 C ATOM 1388 C GLU A 95 -18.995 9.987 -11.130 1.00 0.00 C ATOM 1389 O GLU A 95 -19.804 10.659 -10.521 1.00 0.00 O ATOM 1390 CB GLU A 95 -19.886 8.428 -12.867 1.00 0.00 C ATOM 1391 CG GLU A 95 -21.134 8.385 -11.984 1.00 0.00 C ATOM 1392 CD GLU A 95 -22.249 7.632 -12.712 1.00 0.00 C ATOM 1393 OE1 GLU A 95 -22.896 8.237 -13.552 1.00 0.00 O ATOM 1394 OE2 GLU A 95 -22.440 6.464 -12.415 1.00 0.00 O ATOM 0 H GLU A 95 -17.701 8.994 -14.020 1.00 0.00 H new ATOM 0 HA GLU A 95 -19.699 10.564 -13.082 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -20.167 8.339 -13.916 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -19.237 7.583 -12.638 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -20.906 7.894 -11.038 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -21.460 9.398 -11.747 1.00 0.00 H new ATOM 1401 N GLU A 96 -17.973 9.445 -10.527 1.00 0.00 N ATOM 1402 CA GLU A 96 -17.780 9.647 -9.063 1.00 0.00 C ATOM 1403 C GLU A 96 -17.109 11.000 -8.815 1.00 0.00 C ATOM 1404 O GLU A 96 -17.667 11.873 -8.182 1.00 0.00 O ATOM 1405 CB GLU A 96 -16.895 8.529 -8.508 1.00 0.00 C ATOM 1406 CG GLU A 96 -16.753 8.695 -6.993 1.00 0.00 C ATOM 1407 CD GLU A 96 -17.712 7.738 -6.283 1.00 0.00 C ATOM 1408 OE1 GLU A 96 -18.880 7.734 -6.633 1.00 0.00 O ATOM 1409 OE2 GLU A 96 -17.260 7.026 -5.401 1.00 0.00 O ATOM 0 H GLU A 96 -17.264 8.872 -10.984 1.00 0.00 H new ATOM 0 HA GLU A 96 -18.749 9.628 -8.564 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -17.331 7.557 -8.739 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -15.914 8.559 -8.981 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -15.727 8.490 -6.689 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -16.971 9.724 -6.707 1.00 0.00 H new ATOM 1416 N LEU A 97 -15.914 11.181 -9.309 1.00 0.00 N ATOM 1417 CA LEU A 97 -15.209 12.478 -9.099 1.00 0.00 C ATOM 1418 C LEU A 97 -15.996 13.601 -9.779 1.00 0.00 C ATOM 1419 O LEU A 97 -15.800 14.768 -9.499 1.00 0.00 O ATOM 1420 CB LEU A 97 -13.805 12.400 -9.703 1.00 0.00 C ATOM 1421 CG LEU A 97 -12.771 12.805 -8.651 1.00 0.00 C ATOM 1422 CD1 LEU A 97 -12.612 11.678 -7.631 1.00 0.00 C ATOM 1423 CD2 LEU A 97 -11.427 13.067 -9.334 1.00 0.00 C ATOM 0 H LEU A 97 -15.396 10.487 -9.848 1.00 0.00 H new ATOM 0 HA LEU A 97 -15.133 12.682 -8.031 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -13.605 11.388 -10.054 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -13.734 13.057 -10.570 1.00 0.00 H new ATOM 0 HG LEU A 97 -13.105 13.710 -8.143 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -11.875 11.967 -6.882 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -13.569 11.489 -7.145 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -12.278 10.773 -8.138 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -10.689 13.356 -8.586 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -11.094 12.162 -9.842 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -11.539 13.871 -10.062 1.00 0.00 H new ATOM 1435 N GLU A 98 -16.886 13.259 -10.668 1.00 0.00 N ATOM 1436 CA GLU A 98 -17.687 14.305 -11.366 1.00 0.00 C ATOM 1437 C GLU A 98 -16.805 15.522 -11.655 1.00 0.00 C ATOM 1438 O GLU A 98 -17.185 16.648 -11.403 1.00 0.00 O ATOM 1439 CB GLU A 98 -18.859 14.726 -10.478 1.00 0.00 C ATOM 1440 CG GLU A 98 -19.719 15.754 -11.219 1.00 0.00 C ATOM 1441 CD GLU A 98 -21.106 15.168 -11.483 1.00 0.00 C ATOM 1442 OE1 GLU A 98 -21.815 14.917 -10.522 1.00 0.00 O ATOM 1443 OE2 GLU A 98 -21.437 14.980 -12.642 1.00 0.00 O ATOM 0 H GLU A 98 -17.094 12.299 -10.942 1.00 0.00 H new ATOM 0 HA GLU A 98 -18.066 13.902 -12.305 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -19.460 13.856 -10.215 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -18.488 15.151 -9.546 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -19.805 16.665 -10.627 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -19.244 16.029 -12.161 1.00 0.00 H new ATOM 1450 N LEU A 99 -15.632 15.307 -12.185 1.00 0.00 N ATOM 1451 CA LEU A 99 -14.734 16.455 -12.492 1.00 0.00 C ATOM 1452 C LEU A 99 -15.299 17.230 -13.684 1.00 0.00 C ATOM 1453 O LEU A 99 -15.955 16.672 -14.541 1.00 0.00 O ATOM 1454 CB LEU A 99 -13.338 15.931 -12.836 1.00 0.00 C ATOM 1455 CG LEU A 99 -13.432 14.956 -14.011 1.00 0.00 C ATOM 1456 CD1 LEU A 99 -12.304 15.244 -15.004 1.00 0.00 C ATOM 1457 CD2 LEU A 99 -13.300 13.521 -13.494 1.00 0.00 C ATOM 0 H LEU A 99 -15.258 14.387 -12.418 1.00 0.00 H new ATOM 0 HA LEU A 99 -14.669 17.114 -11.626 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -12.679 16.761 -13.091 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -12.902 15.432 -11.970 1.00 0.00 H new ATOM 0 HG LEU A 99 -14.394 15.078 -14.508 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -12.370 14.550 -15.842 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -12.395 16.266 -15.372 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -11.342 15.122 -14.507 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -13.367 12.825 -14.330 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -12.337 13.400 -12.998 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -14.102 13.314 -12.785 1.00 0.00 H new ATOM 1469 N PRO A 100 -15.045 18.510 -13.738 1.00 0.00 N ATOM 1470 CA PRO A 100 -15.532 19.383 -14.837 1.00 0.00 C ATOM 1471 C PRO A 100 -15.530 18.660 -16.191 1.00 0.00 C ATOM 1472 O PRO A 100 -14.486 18.384 -16.749 1.00 0.00 O ATOM 1473 CB PRO A 100 -14.523 20.529 -14.833 1.00 0.00 C ATOM 1474 CG PRO A 100 -14.060 20.644 -13.414 1.00 0.00 C ATOM 1475 CD PRO A 100 -14.260 19.272 -12.755 1.00 0.00 C ATOM 0 HA PRO A 100 -16.563 19.704 -14.691 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -13.689 20.321 -15.503 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -14.981 21.458 -15.174 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -13.012 20.940 -13.375 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -14.627 21.410 -12.886 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -13.306 18.788 -12.546 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -14.788 19.360 -11.805 1.00 0.00 H new ATOM 1483 N PRO A 101 -16.690 18.347 -16.712 1.00 0.00 N ATOM 1484 CA PRO A 101 -16.818 17.638 -18.014 1.00 0.00 C ATOM 1485 C PRO A 101 -16.605 18.569 -19.211 1.00 0.00 C ATOM 1486 O PRO A 101 -16.953 18.246 -20.329 1.00 0.00 O ATOM 1487 CB PRO A 101 -18.250 17.105 -17.996 1.00 0.00 C ATOM 1488 CG PRO A 101 -19.010 18.030 -17.103 1.00 0.00 C ATOM 1489 CD PRO A 101 -18.006 18.637 -16.118 1.00 0.00 C ATOM 0 HA PRO A 101 -16.064 16.859 -18.125 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -18.676 17.090 -18.999 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -18.283 16.082 -17.621 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -19.498 18.812 -17.685 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -19.794 17.492 -16.570 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -18.162 19.710 -16.002 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -18.102 18.192 -15.128 1.00 0.00 H new ATOM 1497 N VAL A 102 -16.034 19.721 -18.987 1.00 0.00 N ATOM 1498 CA VAL A 102 -15.798 20.664 -20.115 1.00 0.00 C ATOM 1499 C VAL A 102 -14.515 20.265 -20.846 1.00 0.00 C ATOM 1500 O VAL A 102 -13.982 21.014 -21.642 1.00 0.00 O ATOM 1501 CB VAL A 102 -15.655 22.088 -19.571 1.00 0.00 C ATOM 1502 CG1 VAL A 102 -17.021 22.598 -19.111 1.00 0.00 C ATOM 1503 CG2 VAL A 102 -14.687 22.085 -18.386 1.00 0.00 C ATOM 0 H VAL A 102 -15.721 20.049 -18.073 1.00 0.00 H new ATOM 0 HA VAL A 102 -16.640 20.625 -20.806 1.00 0.00 H new ATOM 0 HB VAL A 102 -15.269 22.740 -20.355 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -16.919 23.612 -18.724 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -17.712 22.599 -19.954 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -17.407 21.947 -18.327 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -14.584 23.098 -17.998 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -15.073 21.433 -17.602 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -13.713 21.721 -18.713 1.00 0.00 H new ATOM 1513 N LYS A 103 -14.015 19.088 -20.583 1.00 0.00 N ATOM 1514 CA LYS A 103 -12.767 18.638 -21.260 1.00 0.00 C ATOM 1515 C LYS A 103 -12.562 17.143 -21.008 1.00 0.00 C ATOM 1516 O LYS A 103 -12.125 16.411 -21.874 1.00 0.00 O ATOM 1517 CB LYS A 103 -11.575 19.417 -20.700 1.00 0.00 C ATOM 1518 CG LYS A 103 -10.347 19.177 -21.581 1.00 0.00 C ATOM 1519 CD LYS A 103 -10.007 20.458 -22.344 1.00 0.00 C ATOM 1520 CE LYS A 103 -8.716 20.252 -23.137 1.00 0.00 C ATOM 1521 NZ LYS A 103 -7.996 21.551 -23.261 1.00 0.00 N ATOM 0 H LYS A 103 -14.418 18.418 -19.928 1.00 0.00 H new ATOM 0 HA LYS A 103 -12.849 18.819 -22.332 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -11.807 20.481 -20.664 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -11.369 19.101 -19.677 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -9.500 18.871 -20.967 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -10.542 18.365 -22.281 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -10.823 20.720 -23.018 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -9.890 21.288 -21.648 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -8.083 19.519 -22.637 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -8.944 19.854 -24.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.975 21.375 -23.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -8.335 22.056 -24.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -8.175 22.129 -22.416 1.00 0.00 H new ATOM 1535 N VAL A 104 -12.874 16.683 -19.827 1.00 0.00 N ATOM 1536 CA VAL A 104 -12.696 15.236 -19.521 1.00 0.00 C ATOM 1537 C VAL A 104 -11.341 14.767 -20.056 1.00 0.00 C ATOM 1538 O VAL A 104 -11.259 13.860 -20.859 1.00 0.00 O ATOM 1539 CB VAL A 104 -13.814 14.431 -20.185 1.00 0.00 C ATOM 1540 CG1 VAL A 104 -13.802 13.000 -19.646 1.00 0.00 C ATOM 1541 CG2 VAL A 104 -15.166 15.080 -19.876 1.00 0.00 C ATOM 0 H VAL A 104 -13.244 17.247 -19.062 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.734 15.085 -18.442 1.00 0.00 H new ATOM 0 HB VAL A 104 -13.657 14.415 -21.263 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -14.599 12.426 -20.119 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -12.841 12.536 -19.867 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -13.958 13.016 -18.567 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -15.962 14.506 -20.350 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -15.323 15.097 -18.798 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -15.176 16.100 -20.261 1.00 0.00 H new ATOM 1551 N HIS A 105 -10.276 15.382 -19.618 1.00 0.00 N ATOM 1552 CA HIS A 105 -8.926 14.976 -20.102 1.00 0.00 C ATOM 1553 C HIS A 105 -8.305 13.985 -19.114 1.00 0.00 C ATOM 1554 O HIS A 105 -7.954 12.877 -19.469 1.00 0.00 O ATOM 1555 CB HIS A 105 -8.032 16.216 -20.210 1.00 0.00 C ATOM 1556 CG HIS A 105 -7.703 16.481 -21.654 1.00 0.00 C ATOM 1557 ND1 HIS A 105 -8.677 16.506 -22.643 1.00 0.00 N ATOM 1558 CD2 HIS A 105 -6.514 16.739 -22.292 1.00 0.00 C ATOM 1559 CE1 HIS A 105 -8.063 16.771 -23.811 1.00 0.00 C ATOM 1560 NE2 HIS A 105 -6.747 16.921 -23.650 1.00 0.00 N ATOM 0 H HIS A 105 -10.283 16.149 -18.945 1.00 0.00 H new ATOM 0 HA HIS A 105 -9.017 14.504 -21.080 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -8.538 17.079 -19.778 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -7.115 16.066 -19.640 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -5.548 16.792 -21.812 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -8.572 16.852 -24.760 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -6.057 17.126 -24.372 1.00 0.00 H new ATOM 1568 N CYS A 106 -8.163 14.377 -17.878 1.00 0.00 N ATOM 1569 CA CYS A 106 -7.561 13.462 -16.867 1.00 0.00 C ATOM 1570 C CYS A 106 -8.156 12.060 -17.017 1.00 0.00 C ATOM 1571 O CYS A 106 -7.454 11.102 -17.272 1.00 0.00 O ATOM 1572 CB CYS A 106 -7.857 13.992 -15.462 1.00 0.00 C ATOM 1573 SG CYS A 106 -6.964 12.996 -14.243 1.00 0.00 S ATOM 0 H CYS A 106 -8.438 15.293 -17.524 1.00 0.00 H new ATOM 0 HA CYS A 106 -6.483 13.414 -17.022 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -7.556 15.037 -15.385 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -8.928 13.953 -15.265 1.00 0.00 H new ATOM 0 HG CYS A 106 -6.707 11.824 -14.744 1.00 0.00 H new ATOM 1579 N SER A 107 -9.445 11.932 -16.857 1.00 0.00 N ATOM 1580 CA SER A 107 -10.081 10.590 -16.987 1.00 0.00 C ATOM 1581 C SER A 107 -9.499 9.863 -18.200 1.00 0.00 C ATOM 1582 O SER A 107 -8.863 8.835 -18.074 1.00 0.00 O ATOM 1583 CB SER A 107 -11.592 10.758 -17.167 1.00 0.00 C ATOM 1584 OG SER A 107 -11.908 12.144 -17.213 1.00 0.00 O ATOM 0 H SER A 107 -10.084 12.697 -16.642 1.00 0.00 H new ATOM 0 HA SER A 107 -9.885 10.006 -16.088 1.00 0.00 H new ATOM 0 HB2 SER A 107 -11.917 10.268 -18.085 1.00 0.00 H new ATOM 0 HB3 SER A 107 -12.123 10.279 -16.345 1.00 0.00 H new ATOM 0 HG SER A 107 -12.810 12.286 -16.857 1.00 0.00 H new ATOM 1590 N ILE A 108 -9.710 10.390 -19.373 1.00 0.00 N ATOM 1591 CA ILE A 108 -9.169 9.733 -20.595 1.00 0.00 C ATOM 1592 C ILE A 108 -7.782 9.159 -20.298 1.00 0.00 C ATOM 1593 O ILE A 108 -7.563 7.967 -20.378 1.00 0.00 O ATOM 1594 CB ILE A 108 -9.063 10.765 -21.719 1.00 0.00 C ATOM 1595 CG1 ILE A 108 -10.465 11.117 -22.222 1.00 0.00 C ATOM 1596 CG2 ILE A 108 -8.241 10.185 -22.870 1.00 0.00 C ATOM 1597 CD1 ILE A 108 -10.355 12.080 -23.406 1.00 0.00 C ATOM 0 H ILE A 108 -10.235 11.249 -19.539 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.836 8.926 -20.900 1.00 0.00 H new ATOM 0 HB ILE A 108 -8.575 11.663 -21.341 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -10.993 10.212 -22.523 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -11.046 11.573 -21.421 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -8.166 10.921 -23.671 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -7.242 9.934 -22.513 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.728 9.286 -23.248 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -11.353 12.331 -23.765 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -9.844 12.989 -23.089 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -9.789 11.607 -24.209 1.00 0.00 H new ATOM 1609 N LEU A 109 -6.842 9.999 -19.958 1.00 0.00 N ATOM 1610 CA LEU A 109 -5.470 9.501 -19.659 1.00 0.00 C ATOM 1611 C LEU A 109 -5.553 8.319 -18.691 1.00 0.00 C ATOM 1612 O LEU A 109 -4.799 7.372 -18.788 1.00 0.00 O ATOM 1613 CB LEU A 109 -4.647 10.623 -19.021 1.00 0.00 C ATOM 1614 CG LEU A 109 -3.881 11.377 -20.108 1.00 0.00 C ATOM 1615 CD1 LEU A 109 -4.873 12.079 -21.038 1.00 0.00 C ATOM 1616 CD2 LEU A 109 -2.967 12.419 -19.458 1.00 0.00 C ATOM 0 H LEU A 109 -6.965 11.008 -19.875 1.00 0.00 H new ATOM 0 HA LEU A 109 -4.993 9.180 -20.585 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.302 11.307 -18.482 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.951 10.208 -18.292 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.279 10.673 -20.683 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.327 12.617 -21.813 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.525 11.338 -21.501 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.475 12.783 -20.463 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.420 12.957 -20.232 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.569 13.123 -18.883 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.260 11.920 -18.795 1.00 0.00 H new ATOM 1628 N ALA A 110 -6.462 8.368 -17.756 1.00 0.00 N ATOM 1629 CA ALA A 110 -6.588 7.248 -16.781 1.00 0.00 C ATOM 1630 C ALA A 110 -6.926 5.954 -17.525 1.00 0.00 C ATOM 1631 O ALA A 110 -6.096 5.078 -17.671 1.00 0.00 O ATOM 1632 CB ALA A 110 -7.701 7.568 -15.780 1.00 0.00 C ATOM 0 H ALA A 110 -7.122 9.134 -17.625 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.645 7.122 -16.250 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -7.795 6.750 -15.066 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -7.458 8.488 -15.248 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -8.644 7.695 -16.312 1.00 0.00 H new ATOM 1638 N GLU A 111 -8.136 5.824 -17.993 1.00 0.00 N ATOM 1639 CA GLU A 111 -8.525 4.584 -18.723 1.00 0.00 C ATOM 1640 C GLU A 111 -7.446 4.230 -19.750 1.00 0.00 C ATOM 1641 O GLU A 111 -6.872 3.160 -19.717 1.00 0.00 O ATOM 1642 CB GLU A 111 -9.858 4.811 -19.441 1.00 0.00 C ATOM 1643 CG GLU A 111 -9.988 3.824 -20.602 1.00 0.00 C ATOM 1644 CD GLU A 111 -9.470 2.451 -20.167 1.00 0.00 C ATOM 1645 OE1 GLU A 111 -10.055 1.879 -19.262 1.00 0.00 O ATOM 1646 OE2 GLU A 111 -8.497 1.997 -20.746 1.00 0.00 O ATOM 0 H GLU A 111 -8.873 6.523 -17.902 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.629 3.765 -18.012 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.685 4.679 -18.744 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -9.913 5.834 -19.812 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -11.030 3.749 -20.914 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -9.422 4.182 -21.462 1.00 0.00 H new ATOM 1653 N ASP A 112 -7.168 5.120 -20.663 1.00 0.00 N ATOM 1654 CA ASP A 112 -6.131 4.830 -21.694 1.00 0.00 C ATOM 1655 C ASP A 112 -4.910 4.183 -21.033 1.00 0.00 C ATOM 1656 O ASP A 112 -4.295 3.292 -21.585 1.00 0.00 O ATOM 1657 CB ASP A 112 -5.709 6.136 -22.372 1.00 0.00 C ATOM 1658 CG ASP A 112 -6.527 6.335 -23.650 1.00 0.00 C ATOM 1659 OD1 ASP A 112 -6.184 5.726 -24.650 1.00 0.00 O ATOM 1660 OD2 ASP A 112 -7.482 7.092 -23.606 1.00 0.00 O ATOM 0 H ASP A 112 -7.613 6.034 -20.740 1.00 0.00 H new ATOM 0 HA ASP A 112 -6.543 4.147 -22.437 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -5.863 6.976 -21.695 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -4.645 6.108 -22.609 1.00 0.00 H new ATOM 1665 N ALA A 113 -4.552 4.626 -19.860 1.00 0.00 N ATOM 1666 CA ALA A 113 -3.368 4.037 -19.172 1.00 0.00 C ATOM 1667 C ALA A 113 -3.621 2.555 -18.882 1.00 0.00 C ATOM 1668 O ALA A 113 -2.821 1.704 -19.212 1.00 0.00 O ATOM 1669 CB ALA A 113 -3.122 4.779 -17.856 1.00 0.00 C ATOM 0 H ALA A 113 -5.027 5.369 -19.348 1.00 0.00 H new ATOM 0 HA ALA A 113 -2.493 4.133 -19.815 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -2.256 4.349 -17.352 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.935 5.833 -18.062 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -3.999 4.684 -17.215 1.00 0.00 H new ATOM 1675 N ILE A 114 -4.725 2.240 -18.261 1.00 0.00 N ATOM 1676 CA ILE A 114 -5.020 0.814 -17.946 1.00 0.00 C ATOM 1677 C ILE A 114 -5.123 0.009 -19.246 1.00 0.00 C ATOM 1678 O ILE A 114 -4.642 -1.103 -19.336 1.00 0.00 O ATOM 1679 CB ILE A 114 -6.339 0.725 -17.167 1.00 0.00 C ATOM 1680 CG1 ILE A 114 -6.251 -0.423 -16.159 1.00 0.00 C ATOM 1681 CG2 ILE A 114 -7.504 0.471 -18.128 1.00 0.00 C ATOM 1682 CD1 ILE A 114 -5.219 -0.080 -15.084 1.00 0.00 C ATOM 0 H ILE A 114 -5.434 2.908 -17.959 1.00 0.00 H new ATOM 0 HA ILE A 114 -4.216 0.401 -17.337 1.00 0.00 H new ATOM 0 HB ILE A 114 -6.510 1.666 -16.644 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -7.225 -0.595 -15.701 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -5.970 -1.346 -16.666 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -8.434 0.410 -17.564 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -7.568 1.289 -18.846 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -7.340 -0.466 -18.659 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -5.156 -0.898 -14.366 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -4.245 0.070 -15.549 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -5.519 0.833 -14.569 1.00 0.00 H new ATOM 1694 N LYS A 115 -5.746 0.558 -20.253 1.00 0.00 N ATOM 1695 CA LYS A 115 -5.875 -0.181 -21.540 1.00 0.00 C ATOM 1696 C LYS A 115 -4.484 -0.447 -22.118 1.00 0.00 C ATOM 1697 O LYS A 115 -4.208 -1.513 -22.629 1.00 0.00 O ATOM 1698 CB LYS A 115 -6.690 0.654 -22.531 1.00 0.00 C ATOM 1699 CG LYS A 115 -6.463 0.126 -23.948 1.00 0.00 C ATOM 1700 CD LYS A 115 -7.757 0.252 -24.755 1.00 0.00 C ATOM 1701 CE LYS A 115 -8.523 -1.070 -24.703 1.00 0.00 C ATOM 1702 NZ LYS A 115 -8.227 -1.767 -23.419 1.00 0.00 N ATOM 0 H LYS A 115 -6.171 1.485 -20.240 1.00 0.00 H new ATOM 0 HA LYS A 115 -6.382 -1.130 -21.364 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -7.749 0.606 -22.279 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -6.395 1.701 -22.470 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -5.664 0.687 -24.433 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -6.145 -0.916 -23.912 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -8.372 1.057 -24.352 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -7.529 0.512 -25.789 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -9.594 -0.886 -24.790 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -8.238 -1.701 -25.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -8.924 -2.523 -23.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -7.273 -2.179 -23.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -8.277 -1.086 -22.635 1.00 0.00 H new ATOM 1716 N ALA A 116 -3.606 0.514 -22.040 1.00 0.00 N ATOM 1717 CA ALA A 116 -2.234 0.313 -22.584 1.00 0.00 C ATOM 1718 C ALA A 116 -1.487 -0.698 -21.712 1.00 0.00 C ATOM 1719 O ALA A 116 -0.856 -1.612 -22.205 1.00 0.00 O ATOM 1720 CB ALA A 116 -1.482 1.644 -22.580 1.00 0.00 C ATOM 0 H ALA A 116 -3.779 1.429 -21.624 1.00 0.00 H new ATOM 0 HA ALA A 116 -2.298 -0.062 -23.605 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -0.478 1.496 -22.978 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.015 2.365 -23.199 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -1.416 2.021 -21.560 1.00 0.00 H new ATOM 1726 N ALA A 117 -1.553 -0.541 -20.418 1.00 0.00 N ATOM 1727 CA ALA A 117 -0.848 -1.493 -19.514 1.00 0.00 C ATOM 1728 C ALA A 117 -1.299 -2.920 -19.831 1.00 0.00 C ATOM 1729 O ALA A 117 -0.535 -3.859 -19.730 1.00 0.00 O ATOM 1730 CB ALA A 117 -1.185 -1.159 -18.058 1.00 0.00 C ATOM 0 H ALA A 117 -2.065 0.206 -19.948 1.00 0.00 H new ATOM 0 HA ALA A 117 0.229 -1.410 -19.663 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -0.670 -1.855 -17.396 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.865 -0.141 -17.835 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -2.261 -1.242 -17.905 1.00 0.00 H new ATOM 1736 N ILE A 118 -2.535 -3.089 -20.212 1.00 0.00 N ATOM 1737 CA ILE A 118 -3.034 -4.456 -20.536 1.00 0.00 C ATOM 1738 C ILE A 118 -2.372 -4.945 -21.826 1.00 0.00 C ATOM 1739 O ILE A 118 -1.593 -5.877 -21.821 1.00 0.00 O ATOM 1740 CB ILE A 118 -4.551 -4.417 -20.725 1.00 0.00 C ATOM 1741 CG1 ILE A 118 -5.228 -4.226 -19.366 1.00 0.00 C ATOM 1742 CG2 ILE A 118 -5.022 -5.731 -21.350 1.00 0.00 C ATOM 1743 CD1 ILE A 118 -6.712 -3.913 -19.571 1.00 0.00 C ATOM 0 H ILE A 118 -3.221 -2.341 -20.313 1.00 0.00 H new ATOM 0 HA ILE A 118 -2.789 -5.135 -19.719 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.814 -3.589 -21.382 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.116 -5.127 -18.763 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -4.747 -3.415 -18.820 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -6.103 -5.703 -21.485 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -4.539 -5.867 -22.318 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -4.760 -6.561 -20.694 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -7.192 -3.777 -18.602 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -6.814 -3.000 -20.157 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -7.188 -4.739 -20.100 1.00 0.00 H new ATOM 1755 N ALA A 119 -2.677 -4.323 -22.933 1.00 0.00 N ATOM 1756 CA ALA A 119 -2.065 -4.754 -24.221 1.00 0.00 C ATOM 1757 C ALA A 119 -0.602 -5.135 -23.986 1.00 0.00 C ATOM 1758 O ALA A 119 -0.139 -6.164 -24.437 1.00 0.00 O ATOM 1759 CB ALA A 119 -2.136 -3.603 -25.228 1.00 0.00 C ATOM 0 H ALA A 119 -3.323 -3.536 -23.000 1.00 0.00 H new ATOM 0 HA ALA A 119 -2.607 -5.615 -24.613 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -1.689 -3.917 -26.171 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.178 -3.329 -25.394 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -1.592 -2.743 -24.837 1.00 0.00 H new ATOM 1765 N ASP A 120 0.128 -4.314 -23.282 1.00 0.00 N ATOM 1766 CA ASP A 120 1.559 -4.630 -23.017 1.00 0.00 C ATOM 1767 C ASP A 120 1.651 -5.913 -22.187 1.00 0.00 C ATOM 1768 O ASP A 120 2.462 -6.778 -22.452 1.00 0.00 O ATOM 1769 CB ASP A 120 2.203 -3.476 -22.246 1.00 0.00 C ATOM 1770 CG ASP A 120 2.490 -2.319 -23.206 1.00 0.00 C ATOM 1771 OD1 ASP A 120 2.077 -2.408 -24.350 1.00 0.00 O ATOM 1772 OD2 ASP A 120 3.118 -1.365 -22.780 1.00 0.00 O ATOM 0 H ASP A 120 -0.205 -3.438 -22.879 1.00 0.00 H new ATOM 0 HA ASP A 120 2.082 -4.770 -23.963 1.00 0.00 H new ATOM 0 HB2 ASP A 120 1.540 -3.144 -21.447 1.00 0.00 H new ATOM 0 HB3 ASP A 120 3.128 -3.810 -21.775 1.00 0.00 H new ATOM 1777 N TYR A 121 0.826 -6.043 -21.185 1.00 0.00 N ATOM 1778 CA TYR A 121 0.867 -7.269 -20.341 1.00 0.00 C ATOM 1779 C TYR A 121 0.676 -8.502 -21.228 1.00 0.00 C ATOM 1780 O TYR A 121 1.345 -9.503 -21.068 1.00 0.00 O ATOM 1781 CB TYR A 121 -0.253 -7.210 -19.300 1.00 0.00 C ATOM 1782 CG TYR A 121 -0.401 -8.561 -18.643 1.00 0.00 C ATOM 1783 CD1 TYR A 121 0.495 -8.955 -17.642 1.00 0.00 C ATOM 1784 CD2 TYR A 121 -1.433 -9.421 -19.037 1.00 0.00 C ATOM 1785 CE1 TYR A 121 0.358 -10.209 -17.034 1.00 0.00 C ATOM 1786 CE2 TYR A 121 -1.570 -10.675 -18.429 1.00 0.00 C ATOM 1787 CZ TYR A 121 -0.675 -11.068 -17.427 1.00 0.00 C ATOM 1788 OH TYR A 121 -0.810 -12.304 -16.828 1.00 0.00 O ATOM 0 H TYR A 121 0.125 -5.353 -20.915 1.00 0.00 H new ATOM 0 HA TYR A 121 1.830 -7.331 -19.834 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -0.027 -6.452 -18.550 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -1.190 -6.920 -19.775 1.00 0.00 H new ATOM 0 HD1 TYR A 121 1.292 -8.292 -17.339 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -2.124 -9.117 -19.810 1.00 0.00 H new ATOM 0 HE1 TYR A 121 1.049 -10.513 -16.262 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -2.366 -11.339 -18.733 1.00 0.00 H new ATOM 0 HH TYR A 121 -1.578 -12.774 -17.216 1.00 0.00 H new ATOM 1798 N LYS A 122 -0.233 -8.436 -22.164 1.00 0.00 N ATOM 1799 CA LYS A 122 -0.464 -9.604 -23.060 1.00 0.00 C ATOM 1800 C LYS A 122 0.713 -9.742 -24.028 1.00 0.00 C ATOM 1801 O LYS A 122 1.213 -10.824 -24.263 1.00 0.00 O ATOM 1802 CB LYS A 122 -1.755 -9.392 -23.853 1.00 0.00 C ATOM 1803 CG LYS A 122 -2.942 -9.938 -23.057 1.00 0.00 C ATOM 1804 CD LYS A 122 -4.248 -9.520 -23.733 1.00 0.00 C ATOM 1805 CE LYS A 122 -5.400 -9.632 -22.732 1.00 0.00 C ATOM 1806 NZ LYS A 122 -5.363 -8.470 -21.799 1.00 0.00 N ATOM 0 H LYS A 122 -0.824 -7.625 -22.346 1.00 0.00 H new ATOM 0 HA LYS A 122 -0.552 -10.511 -22.461 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -1.898 -8.331 -24.057 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.688 -9.896 -24.817 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -2.883 -11.025 -22.997 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -2.912 -9.560 -22.035 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -4.169 -8.496 -24.099 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -4.441 -10.154 -24.598 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -6.353 -9.658 -23.260 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -5.320 -10.564 -22.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -5.589 -8.791 -20.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -4.413 -8.047 -21.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -6.061 -7.760 -22.100 1.00 0.00 H new ATOM 1820 N ALA A 123 1.162 -8.652 -24.589 1.00 0.00 N ATOM 1821 CA ALA A 123 2.308 -8.720 -25.538 1.00 0.00 C ATOM 1822 C ALA A 123 3.483 -9.432 -24.865 1.00 0.00 C ATOM 1823 O ALA A 123 4.450 -9.797 -25.503 1.00 0.00 O ATOM 1824 CB ALA A 123 2.729 -7.302 -25.933 1.00 0.00 C ATOM 0 H ALA A 123 0.784 -7.718 -24.431 1.00 0.00 H new ATOM 0 HA ALA A 123 2.010 -9.271 -26.430 1.00 0.00 H new ATOM 0 HB1 ALA A 123 3.568 -7.352 -26.627 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.892 -6.794 -26.411 1.00 0.00 H new ATOM 0 HB3 ALA A 123 3.028 -6.750 -25.042 1.00 0.00 H new ATOM 1830 N LYS A 124 3.405 -9.632 -23.577 1.00 0.00 N ATOM 1831 CA LYS A 124 4.515 -10.321 -22.861 1.00 0.00 C ATOM 1832 C LYS A 124 4.060 -11.722 -22.447 1.00 0.00 C ATOM 1833 O LYS A 124 4.568 -12.717 -22.926 1.00 0.00 O ATOM 1834 CB LYS A 124 4.892 -9.517 -21.614 1.00 0.00 C ATOM 1835 CG LYS A 124 5.922 -8.447 -21.984 1.00 0.00 C ATOM 1836 CD LYS A 124 5.523 -7.113 -21.352 1.00 0.00 C ATOM 1837 CE LYS A 124 6.694 -6.133 -21.445 1.00 0.00 C ATOM 1838 NZ LYS A 124 6.173 -4.758 -21.684 1.00 0.00 N ATOM 0 H LYS A 124 2.620 -9.348 -22.990 1.00 0.00 H new ATOM 0 HA LYS A 124 5.381 -10.399 -23.518 1.00 0.00 H new ATOM 0 HB2 LYS A 124 4.004 -9.049 -21.188 1.00 0.00 H new ATOM 0 HB3 LYS A 124 5.300 -10.180 -20.851 1.00 0.00 H new ATOM 0 HG2 LYS A 124 6.911 -8.744 -21.637 1.00 0.00 H new ATOM 0 HG3 LYS A 124 5.982 -8.344 -23.068 1.00 0.00 H new ATOM 0 HD2 LYS A 124 4.651 -6.703 -21.862 1.00 0.00 H new ATOM 0 HD3 LYS A 124 5.242 -7.262 -20.310 1.00 0.00 H new ATOM 0 HE2 LYS A 124 7.277 -6.158 -20.524 1.00 0.00 H new ATOM 0 HE3 LYS A 124 7.364 -6.425 -22.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 6.969 -4.091 -21.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 5.635 -4.740 -22.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 5.551 -4.481 -20.898 1.00 0.00 H new