USER MOD reduce.3.24.130724 H: found=0, std=0, add=915, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 914 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 70 THR OG1 : rot 84:sc= 2.11 USER MOD Set 1.2: A 115 LYS NZ :NH3+ -153:sc= 2.45 (180deg=1.06) USER MOD Set 2.1: A 50 THR OG1 : rot 54:sc= 1.7 USER MOD Set 2.2: A 52 THR OG1 : rot -34:sc= 0.558 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 1.05 K(o=1,f=-0.035) USER MOD Single : A 34 THR OG1 : rot -66:sc= 1.23 USER MOD Single : A 41 SER OG : rot -48:sc= 0.74 USER MOD Single : A 45 THR OG1 : rot 146:sc= 0.687 USER MOD Single : A 48 TYR OH : rot -8:sc= 1.84 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.978 K(o=-0.98,f=-2.8) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= -0.0102 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 75:sc= 1.1 USER MOD Single : A 71 SER OG : rot 180:sc= -0.226 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 164:sc=-0.00964 (180deg=-0.879) USER MOD Single : A 76 THR OG1 : rot -29:sc= 0.111 USER MOD Single : A 77 THR OG1 : rot -143:sc= 1.33 USER MOD Single : A 78 THR OG1 : rot 150:sc= 0.578 USER MOD Single : A 79 HIS : no HD1:sc= -0.174 X(o=-0.17,f=-0.015) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -167:sc= -0.0676 (180deg=-0.343) USER MOD Single : A 86 MET CE :methyl 177:sc=-0.00643 (180deg=-0.0187) USER MOD Single : A 87 LYS NZ :NH3+ 165:sc= 1.1 (180deg=0.933) USER MOD Single : A 88 MET CE :methyl -175:sc= 0 (180deg=-0.0517) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 1 K(o=1,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.257 X(o=-0.26,f=-0.15) USER MOD Single : A 110 MET CE :methyl -120:sc= 0 (180deg=-0.00896) USER MOD Single : A 112 MET CE :methyl -161:sc= -0.0102 (180deg=-0.24) USER MOD Single : A 119 LYS NZ :NH3+ -158:sc= 2.4 (180deg=2.28) USER MOD Single : A 123 THR OG1 : rot 10:sc= 0.77 USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 166:sc= 0.542 (180deg=-0.995) USER MOD Single : A 131 THR OG1 : rot -14:sc= 0.773 USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 ASN : amide:sc= -0.573 K(o=-0.57,f=-5.6!) USER MOD Single : A 141 THR OG1 : rot 37:sc= 1.24 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 LYS NZ :NH3+ 156:sc= 1.75 (180deg=0.939) USER MOD ----------------------------------------------------------------- ATOM 369 N VAL A 28 -1.928 -1.676 -11.549 1.00 10.00 N ATOM 370 CA VAL A 28 -0.681 -1.099 -11.072 1.00 10.00 C ATOM 371 C VAL A 28 -0.184 -1.798 -9.802 1.00 10.00 C ATOM 372 O VAL A 28 -0.054 -1.205 -8.736 1.00 10.00 O ATOM 373 CB VAL A 28 -0.869 0.423 -10.943 1.00 10.00 C ATOM 374 CG1 VAL A 28 -1.762 0.902 -9.789 1.00 10.00 C ATOM 375 CG2 VAL A 28 0.491 1.103 -10.900 1.00 10.00 C ATOM 0 HA VAL A 28 0.123 -1.266 -11.789 1.00 10.00 H new ATOM 0 HB VAL A 28 -1.425 0.717 -11.833 1.00 10.00 H new ATOM 0 HG11 VAL A 28 -1.819 1.990 -9.800 1.00 10.00 H new ATOM 0 HG12 VAL A 28 -2.762 0.485 -9.906 1.00 10.00 H new ATOM 0 HG13 VAL A 28 -1.340 0.571 -8.840 1.00 10.00 H new ATOM 0 HG21 VAL A 28 0.356 2.181 -10.809 1.00 10.00 H new ATOM 0 HG22 VAL A 28 1.055 0.734 -10.044 1.00 10.00 H new ATOM 0 HG23 VAL A 28 1.037 0.882 -11.817 1.00 10.00 H new ATOM 385 N THR A 29 0.090 -3.094 -9.914 1.00 10.00 N ATOM 386 CA THR A 29 0.549 -3.902 -8.799 1.00 10.00 C ATOM 387 C THR A 29 1.270 -5.127 -9.354 1.00 10.00 C ATOM 388 O THR A 29 0.738 -6.235 -9.359 1.00 10.00 O ATOM 389 CB THR A 29 -0.616 -4.189 -7.830 1.00 10.00 C ATOM 390 OG1 THR A 29 -0.195 -5.032 -6.777 1.00 10.00 O ATOM 391 CG2 THR A 29 -1.861 -4.764 -8.518 1.00 10.00 C ATOM 0 H THR A 29 -0.002 -3.612 -10.788 1.00 10.00 H new ATOM 0 HA THR A 29 1.279 -3.375 -8.185 1.00 10.00 H new ATOM 0 HB THR A 29 -0.914 -3.223 -7.422 1.00 10.00 H new ATOM 0 HG1 THR A 29 -0.948 -5.201 -6.172 1.00 10.00 H new ATOM 0 HG21 THR A 29 -2.639 -4.941 -7.775 1.00 10.00 H new ATOM 0 HG22 THR A 29 -2.225 -4.056 -9.263 1.00 10.00 H new ATOM 0 HG23 THR A 29 -1.605 -5.705 -9.006 1.00 10.00 H new ATOM 399 N VAL A 30 2.493 -4.922 -9.851 1.00 10.00 N ATOM 400 CA VAL A 30 3.354 -6.033 -10.226 1.00 10.00 C ATOM 401 C VAL A 30 4.804 -5.734 -9.840 1.00 10.00 C ATOM 402 O VAL A 30 5.736 -5.907 -10.619 1.00 10.00 O ATOM 403 CB VAL A 30 3.098 -6.399 -11.704 1.00 10.00 C ATOM 404 CG1 VAL A 30 3.573 -5.325 -12.693 1.00 10.00 C ATOM 405 CG2 VAL A 30 3.693 -7.766 -12.073 1.00 10.00 C ATOM 0 H VAL A 30 2.902 -4.000 -10.000 1.00 10.00 H new ATOM 0 HA VAL A 30 3.116 -6.937 -9.666 1.00 10.00 H new ATOM 0 HB VAL A 30 2.013 -6.457 -11.796 1.00 10.00 H new ATOM 0 HG11 VAL A 30 3.361 -5.649 -13.712 1.00 10.00 H new ATOM 0 HG12 VAL A 30 3.050 -4.390 -12.494 1.00 10.00 H new ATOM 0 HG13 VAL A 30 4.646 -5.172 -12.577 1.00 10.00 H new ATOM 0 HG21 VAL A 30 3.488 -7.981 -13.122 1.00 10.00 H new ATOM 0 HG22 VAL A 30 4.771 -7.750 -11.910 1.00 10.00 H new ATOM 0 HG23 VAL A 30 3.243 -8.539 -11.450 1.00 10.00 H new ATOM 415 N GLN A 31 4.999 -5.391 -8.565 1.00 10.00 N ATOM 416 CA GLN A 31 6.302 -5.406 -7.921 1.00 10.00 C ATOM 417 C GLN A 31 6.086 -5.637 -6.425 1.00 10.00 C ATOM 418 O GLN A 31 5.153 -5.088 -5.844 1.00 10.00 O ATOM 419 CB GLN A 31 7.020 -4.087 -8.224 1.00 10.00 C ATOM 420 CG GLN A 31 8.325 -3.880 -7.443 1.00 10.00 C ATOM 421 CD GLN A 31 9.329 -5.011 -7.642 1.00 10.00 C ATOM 422 OE1 GLN A 31 9.701 -5.333 -8.764 1.00 10.00 O ATOM 423 NE2 GLN A 31 9.770 -5.635 -6.555 1.00 10.00 N ATOM 0 H GLN A 31 4.243 -5.092 -7.948 1.00 10.00 H new ATOM 0 HA GLN A 31 6.936 -6.209 -8.297 1.00 10.00 H new ATOM 0 HB2 GLN A 31 7.239 -4.044 -9.291 1.00 10.00 H new ATOM 0 HB3 GLN A 31 6.344 -3.261 -8.003 1.00 10.00 H new ATOM 0 HG2 GLN A 31 8.781 -2.939 -7.752 1.00 10.00 H new ATOM 0 HG3 GLN A 31 8.095 -3.789 -6.381 1.00 10.00 H new ATOM 0 HE21 GLN A 31 9.443 -5.346 -5.633 1.00 10.00 H new ATOM 0 HE22 GLN A 31 10.435 -6.403 -6.643 1.00 10.00 H new ATOM 432 N GLY A 32 6.937 -6.464 -5.813 1.00 10.00 N ATOM 433 CA GLY A 32 6.935 -6.700 -4.378 1.00 10.00 C ATOM 434 C GLY A 32 7.558 -5.513 -3.651 1.00 10.00 C ATOM 435 O GLY A 32 8.465 -4.871 -4.186 1.00 10.00 O ATOM 0 H GLY A 32 7.653 -6.992 -6.311 1.00 10.00 H new ATOM 0 HA2 GLY A 32 5.914 -6.855 -4.029 1.00 10.00 H new ATOM 0 HA3 GLY A 32 7.492 -7.609 -4.150 1.00 10.00 H new ATOM 439 N ALA A 33 7.093 -5.214 -2.439 1.00 10.00 N ATOM 440 CA ALA A 33 7.589 -4.067 -1.700 1.00 10.00 C ATOM 441 C ALA A 33 8.923 -4.399 -1.031 1.00 10.00 C ATOM 442 O ALA A 33 9.195 -5.554 -0.694 1.00 10.00 O ATOM 443 CB ALA A 33 6.533 -3.600 -0.696 1.00 10.00 C ATOM 0 H ALA A 33 6.375 -5.752 -1.954 1.00 10.00 H new ATOM 0 HA ALA A 33 7.776 -3.242 -2.387 1.00 10.00 H new ATOM 0 HB1 ALA A 33 6.911 -2.739 -0.144 1.00 10.00 H new ATOM 0 HB2 ALA A 33 5.624 -3.320 -1.228 1.00 10.00 H new ATOM 0 HB3 ALA A 33 6.311 -4.408 0.001 1.00 10.00 H new ATOM 449 N THR A 34 9.757 -3.381 -0.814 1.00 10.00 N ATOM 450 CA THR A 34 10.959 -3.503 -0.011 1.00 10.00 C ATOM 451 C THR A 34 10.981 -2.299 0.937 1.00 10.00 C ATOM 452 O THR A 34 10.823 -1.178 0.457 1.00 10.00 O ATOM 453 CB THR A 34 12.205 -3.626 -0.910 1.00 10.00 C ATOM 454 OG1 THR A 34 12.681 -2.374 -1.334 1.00 10.00 O ATOM 455 CG2 THR A 34 11.992 -4.463 -2.179 1.00 10.00 C ATOM 0 H THR A 34 9.610 -2.447 -1.196 1.00 10.00 H new ATOM 0 HA THR A 34 10.966 -4.414 0.587 1.00 10.00 H new ATOM 0 HB THR A 34 12.925 -4.130 -0.265 1.00 10.00 H new ATOM 0 HG1 THR A 34 12.023 -1.959 -1.930 1.00 10.00 H new ATOM 0 HG21 THR A 34 12.918 -4.497 -2.752 1.00 10.00 H new ATOM 0 HG22 THR A 34 11.699 -5.476 -1.902 1.00 10.00 H new ATOM 0 HG23 THR A 34 11.207 -4.011 -2.785 1.00 10.00 H new ATOM 463 N VAL A 35 11.096 -2.513 2.256 1.00 10.00 N ATOM 464 CA VAL A 35 11.100 -1.457 3.268 1.00 10.00 C ATOM 465 C VAL A 35 12.466 -1.383 3.939 1.00 10.00 C ATOM 466 O VAL A 35 13.061 -2.421 4.224 1.00 10.00 O ATOM 467 CB VAL A 35 9.940 -1.642 4.264 1.00 10.00 C ATOM 468 CG1 VAL A 35 10.076 -2.838 5.200 1.00 10.00 C ATOM 469 CG2 VAL A 35 9.735 -0.374 5.104 1.00 10.00 C ATOM 0 H VAL A 35 11.191 -3.448 2.653 1.00 10.00 H new ATOM 0 HA VAL A 35 10.929 -0.493 2.788 1.00 10.00 H new ATOM 0 HB VAL A 35 9.073 -1.840 3.634 1.00 10.00 H new ATOM 0 HG11 VAL A 35 9.211 -2.882 5.862 1.00 10.00 H new ATOM 0 HG12 VAL A 35 10.131 -3.755 4.613 1.00 10.00 H new ATOM 0 HG13 VAL A 35 10.983 -2.733 5.795 1.00 10.00 H new ATOM 0 HG21 VAL A 35 8.911 -0.528 5.800 1.00 10.00 H new ATOM 0 HG22 VAL A 35 10.646 -0.156 5.662 1.00 10.00 H new ATOM 0 HG23 VAL A 35 9.503 0.464 4.447 1.00 10.00 H new ATOM 479 N ALA A 36 12.992 -0.176 4.177 1.00 10.00 N ATOM 480 CA ALA A 36 14.338 -0.057 4.718 1.00 10.00 C ATOM 481 C ALA A 36 14.397 -0.468 6.198 1.00 10.00 C ATOM 482 O ALA A 36 14.060 0.316 7.080 1.00 10.00 O ATOM 483 CB ALA A 36 14.933 1.326 4.428 1.00 10.00 C ATOM 0 H ALA A 36 12.515 0.709 4.006 1.00 10.00 H new ATOM 0 HA ALA A 36 14.980 -0.769 4.200 1.00 10.00 H new ATOM 0 HB1 ALA A 36 15.939 1.384 4.844 1.00 10.00 H new ATOM 0 HB2 ALA A 36 14.977 1.485 3.350 1.00 10.00 H new ATOM 0 HB3 ALA A 36 14.307 2.094 4.883 1.00 10.00 H new ATOM 489 N ALA A 37 14.827 -1.704 6.473 1.00 10.00 N ATOM 490 CA ALA A 37 15.097 -2.209 7.820 1.00 10.00 C ATOM 491 C ALA A 37 15.969 -1.232 8.616 1.00 10.00 C ATOM 492 O ALA A 37 17.133 -1.063 8.251 1.00 10.00 O ATOM 493 CB ALA A 37 15.820 -3.558 7.734 1.00 10.00 C ATOM 0 H ALA A 37 15.001 -2.397 5.745 1.00 10.00 H new ATOM 0 HA ALA A 37 14.141 -2.324 8.330 1.00 10.00 H new ATOM 0 HB1 ALA A 37 16.018 -3.929 8.739 1.00 10.00 H new ATOM 0 HB2 ALA A 37 15.194 -4.273 7.200 1.00 10.00 H new ATOM 0 HB3 ALA A 37 16.762 -3.432 7.201 1.00 10.00 H new ATOM 499 N VAL A 38 15.418 -0.641 9.690 1.00 10.00 N ATOM 500 CA VAL A 38 15.930 0.506 10.460 1.00 10.00 C ATOM 501 C VAL A 38 17.228 1.100 9.881 1.00 10.00 C ATOM 502 O VAL A 38 18.320 0.597 10.173 1.00 10.00 O ATOM 503 CB VAL A 38 16.071 0.175 11.961 1.00 10.00 C ATOM 504 CG1 VAL A 38 16.571 1.383 12.761 1.00 10.00 C ATOM 505 CG2 VAL A 38 14.730 -0.206 12.598 1.00 10.00 C ATOM 0 H VAL A 38 14.535 -0.979 10.072 1.00 10.00 H new ATOM 0 HA VAL A 38 15.176 1.287 10.365 1.00 10.00 H new ATOM 0 HB VAL A 38 16.776 -0.655 11.999 1.00 10.00 H new ATOM 0 HG11 VAL A 38 16.658 1.112 13.813 1.00 10.00 H new ATOM 0 HG12 VAL A 38 17.546 1.691 12.384 1.00 10.00 H new ATOM 0 HG13 VAL A 38 15.865 2.207 12.656 1.00 10.00 H new ATOM 0 HG21 VAL A 38 14.880 -0.430 13.654 1.00 10.00 H new ATOM 0 HG22 VAL A 38 14.031 0.625 12.499 1.00 10.00 H new ATOM 0 HG23 VAL A 38 14.324 -1.084 12.095 1.00 10.00 H new ATOM 515 N PRO A 39 17.145 2.141 9.041 1.00 10.00 N ATOM 516 CA PRO A 39 18.328 2.814 8.531 1.00 10.00 C ATOM 517 C PRO A 39 18.982 3.590 9.684 1.00 10.00 C ATOM 518 O PRO A 39 18.374 3.718 10.748 1.00 10.00 O ATOM 519 CB PRO A 39 17.797 3.713 7.411 1.00 10.00 C ATOM 520 CG PRO A 39 16.359 4.029 7.810 1.00 10.00 C ATOM 521 CD PRO A 39 15.927 2.836 8.654 1.00 10.00 C ATOM 0 HA PRO A 39 19.101 2.152 8.142 1.00 10.00 H new ATOM 0 HB2 PRO A 39 18.391 4.623 7.320 1.00 10.00 H new ATOM 0 HB3 PRO A 39 17.837 3.208 6.446 1.00 10.00 H new ATOM 0 HG2 PRO A 39 16.299 4.958 8.376 1.00 10.00 H new ATOM 0 HG3 PRO A 39 15.721 4.148 6.934 1.00 10.00 H new ATOM 0 HD2 PRO A 39 15.371 3.163 9.533 1.00 10.00 H new ATOM 0 HD3 PRO A 39 15.268 2.178 8.087 1.00 10.00 H new ATOM 529 N PRO A 40 20.206 4.117 9.521 1.00 10.00 N ATOM 530 CA PRO A 40 20.842 4.963 10.524 1.00 10.00 C ATOM 531 C PRO A 40 20.183 6.351 10.531 1.00 10.00 C ATOM 532 O PRO A 40 20.830 7.366 10.284 1.00 10.00 O ATOM 533 CB PRO A 40 22.319 5.005 10.120 1.00 10.00 C ATOM 534 CG PRO A 40 22.243 4.907 8.597 1.00 10.00 C ATOM 535 CD PRO A 40 21.087 3.929 8.380 1.00 10.00 C ATOM 0 HA PRO A 40 20.735 4.586 11.541 1.00 10.00 H new ATOM 0 HB2 PRO A 40 22.803 5.926 10.445 1.00 10.00 H new ATOM 0 HB3 PRO A 40 22.883 4.179 10.553 1.00 10.00 H new ATOM 0 HG2 PRO A 40 22.045 5.876 8.138 1.00 10.00 H new ATOM 0 HG3 PRO A 40 23.174 4.535 8.168 1.00 10.00 H new ATOM 0 HD2 PRO A 40 20.568 4.135 7.444 1.00 10.00 H new ATOM 0 HD3 PRO A 40 21.446 2.901 8.326 1.00 10.00 H new ATOM 543 N SER A 41 18.879 6.389 10.807 1.00 10.00 N ATOM 544 CA SER A 41 18.053 7.581 10.783 1.00 10.00 C ATOM 545 C SER A 41 16.793 7.314 11.613 1.00 10.00 C ATOM 546 O SER A 41 15.708 7.744 11.230 1.00 10.00 O ATOM 547 CB SER A 41 17.732 7.949 9.322 1.00 10.00 C ATOM 548 OG SER A 41 16.929 9.112 9.260 1.00 10.00 O ATOM 0 H SER A 41 18.355 5.552 11.063 1.00 10.00 H new ATOM 0 HA SER A 41 18.572 8.433 11.222 1.00 10.00 H new ATOM 0 HB2 SER A 41 18.659 8.112 8.772 1.00 10.00 H new ATOM 0 HB3 SER A 41 17.216 7.119 8.839 1.00 10.00 H new ATOM 0 HG SER A 41 16.185 9.030 9.892 1.00 10.00 H new ATOM 554 N ILE A 42 16.953 6.633 12.758 1.00 10.00 N ATOM 555 CA ILE A 42 15.886 6.294 13.682 1.00 10.00 C ATOM 556 C ILE A 42 14.974 5.240 13.032 1.00 10.00 C ATOM 557 O ILE A 42 15.244 4.753 11.935 1.00 10.00 O ATOM 558 CB ILE A 42 15.175 7.572 14.197 1.00 10.00 C ATOM 559 CG1 ILE A 42 16.147 8.737 14.496 1.00 10.00 C ATOM 560 CG2 ILE A 42 14.352 7.322 15.470 1.00 10.00 C ATOM 561 CD1 ILE A 42 17.208 8.400 15.551 1.00 10.00 C ATOM 0 H ILE A 42 17.865 6.296 13.067 1.00 10.00 H new ATOM 0 HA ILE A 42 16.280 5.831 14.587 1.00 10.00 H new ATOM 0 HB ILE A 42 14.517 7.851 13.374 1.00 10.00 H new ATOM 0 HG12 ILE A 42 16.646 9.028 13.572 1.00 10.00 H new ATOM 0 HG13 ILE A 42 15.573 9.600 14.834 1.00 10.00 H new ATOM 0 HG21 ILE A 42 13.877 8.251 15.785 1.00 10.00 H new ATOM 0 HG22 ILE A 42 13.586 6.574 15.267 1.00 10.00 H new ATOM 0 HG23 ILE A 42 15.008 6.964 16.263 1.00 10.00 H new ATOM 0 HD11 ILE A 42 17.853 9.265 15.708 1.00 10.00 H new ATOM 0 HD12 ILE A 42 16.718 8.138 16.489 1.00 10.00 H new ATOM 0 HD13 ILE A 42 17.808 7.557 15.207 1.00 10.00 H new ATOM 573 N ARG A 43 13.927 4.823 13.743 1.00 10.00 N ATOM 574 CA ARG A 43 12.923 3.895 13.247 1.00 10.00 C ATOM 575 C ARG A 43 12.280 4.383 11.945 1.00 10.00 C ATOM 576 O ARG A 43 11.811 3.573 11.151 1.00 10.00 O ATOM 577 CB ARG A 43 11.887 3.656 14.350 1.00 10.00 C ATOM 578 CG ARG A 43 10.964 4.861 14.555 1.00 10.00 C ATOM 579 CD ARG A 43 10.396 4.873 15.972 1.00 10.00 C ATOM 580 NE ARG A 43 9.713 3.610 16.315 1.00 10.00 N ATOM 581 CZ ARG A 43 9.127 3.359 17.494 1.00 10.00 C ATOM 582 NH1 ARG A 43 9.003 4.334 18.401 1.00 10.00 N ATOM 583 NH2 ARG A 43 8.680 2.130 17.758 1.00 10.00 N ATOM 0 H ARG A 43 13.753 5.130 14.700 1.00 10.00 H new ATOM 0 HA ARG A 43 13.403 2.949 12.997 1.00 10.00 H new ATOM 0 HB2 ARG A 43 11.287 2.781 14.098 1.00 10.00 H new ATOM 0 HB3 ARG A 43 12.401 3.432 15.285 1.00 10.00 H new ATOM 0 HG2 ARG A 43 11.516 5.783 14.372 1.00 10.00 H new ATOM 0 HG3 ARG A 43 10.149 4.828 13.832 1.00 10.00 H new ATOM 0 HD2 ARG A 43 11.203 5.051 16.683 1.00 10.00 H new ATOM 0 HD3 ARG A 43 9.694 5.701 16.072 1.00 10.00 H new ATOM 0 HE ARG A 43 9.685 2.878 15.606 1.00 10.00 H new ATOM 0 HH11 ARG A 43 9.354 5.269 18.196 1.00 10.00 H new ATOM 0 HH12 ARG A 43 8.557 4.142 19.298 1.00 10.00 H new ATOM 0 HH21 ARG A 43 8.785 1.389 17.065 1.00 10.00 H new ATOM 0 HH22 ARG A 43 8.233 1.931 18.653 1.00 10.00 H new ATOM 597 N ASP A 44 12.214 5.702 11.754 1.00 10.00 N ATOM 598 CA ASP A 44 11.734 6.362 10.556 1.00 10.00 C ATOM 599 C ASP A 44 12.353 5.705 9.324 1.00 10.00 C ATOM 600 O ASP A 44 13.545 5.402 9.300 1.00 10.00 O ATOM 601 CB ASP A 44 12.109 7.853 10.593 1.00 10.00 C ATOM 602 CG ASP A 44 11.756 8.588 11.886 1.00 10.00 C ATOM 603 OD1 ASP A 44 11.940 7.982 12.969 1.00 10.00 O ATOM 604 OD2 ASP A 44 11.314 9.748 11.763 1.00 10.00 O ATOM 0 H ASP A 44 12.510 6.364 12.471 1.00 10.00 H new ATOM 0 HA ASP A 44 10.649 6.269 10.507 1.00 10.00 H new ATOM 0 HB2 ASP A 44 13.182 7.944 10.425 1.00 10.00 H new ATOM 0 HB3 ASP A 44 11.613 8.355 9.763 1.00 10.00 H new ATOM 609 N THR A 45 11.546 5.458 8.295 1.00 10.00 N ATOM 610 CA THR A 45 11.995 4.726 7.131 1.00 10.00 C ATOM 611 C THR A 45 11.044 5.018 5.978 1.00 10.00 C ATOM 612 O THR A 45 10.155 5.862 6.101 1.00 10.00 O ATOM 613 CB THR A 45 12.062 3.228 7.474 1.00 10.00 C ATOM 614 OG1 THR A 45 12.601 2.516 6.388 1.00 10.00 O ATOM 615 CG2 THR A 45 10.677 2.650 7.774 1.00 10.00 C ATOM 0 H THR A 45 10.573 5.760 8.251 1.00 10.00 H new ATOM 0 HA THR A 45 12.995 5.036 6.827 1.00 10.00 H new ATOM 0 HB THR A 45 12.689 3.128 8.360 1.00 10.00 H new ATOM 0 HG1 THR A 45 13.135 1.765 6.722 1.00 10.00 H new ATOM 0 HG21 THR A 45 10.769 1.590 8.011 1.00 10.00 H new ATOM 0 HG22 THR A 45 10.240 3.175 8.623 1.00 10.00 H new ATOM 0 HG23 THR A 45 10.035 2.772 6.902 1.00 10.00 H new ATOM 623 N ALA A 46 11.210 4.281 4.882 1.00 10.00 N ATOM 624 CA ALA A 46 10.292 4.259 3.766 1.00 10.00 C ATOM 625 C ALA A 46 10.443 2.951 2.998 1.00 10.00 C ATOM 626 O ALA A 46 11.400 2.204 3.232 1.00 10.00 O ATOM 627 CB ALA A 46 10.520 5.491 2.888 1.00 10.00 C ATOM 0 H ALA A 46 12.014 3.667 4.751 1.00 10.00 H new ATOM 0 HA ALA A 46 9.263 4.303 4.122 1.00 10.00 H new ATOM 0 HB1 ALA A 46 9.827 5.472 2.047 1.00 10.00 H new ATOM 0 HB2 ALA A 46 10.352 6.393 3.476 1.00 10.00 H new ATOM 0 HB3 ALA A 46 11.544 5.487 2.514 1.00 10.00 H new ATOM 633 N ALA A 47 9.484 2.679 2.103 1.00 10.00 N ATOM 634 CA ALA A 47 9.571 1.572 1.160 1.00 10.00 C ATOM 635 C ALA A 47 9.874 2.068 -0.243 1.00 10.00 C ATOM 636 O ALA A 47 9.575 3.213 -0.585 1.00 10.00 O ATOM 637 CB ALA A 47 8.331 0.675 1.196 1.00 10.00 C ATOM 0 H ALA A 47 8.627 3.225 2.018 1.00 10.00 H new ATOM 0 HA ALA A 47 10.407 0.948 1.476 1.00 10.00 H new ATOM 0 HB1 ALA A 47 8.446 -0.134 0.475 1.00 10.00 H new ATOM 0 HB2 ALA A 47 8.214 0.256 2.196 1.00 10.00 H new ATOM 0 HB3 ALA A 47 7.449 1.263 0.943 1.00 10.00 H new ATOM 643 N TYR A 48 10.508 1.190 -1.023 1.00 10.00 N ATOM 644 CA TYR A 48 11.145 1.492 -2.284 1.00 10.00 C ATOM 645 C TYR A 48 10.801 0.344 -3.232 1.00 10.00 C ATOM 646 O TYR A 48 11.129 -0.808 -2.952 1.00 10.00 O ATOM 647 CB TYR A 48 12.643 1.700 -2.060 1.00 10.00 C ATOM 648 CG TYR A 48 12.915 2.837 -1.090 1.00 10.00 C ATOM 649 CD1 TYR A 48 12.353 4.106 -1.327 1.00 10.00 C ATOM 650 CD2 TYR A 48 13.514 2.578 0.153 1.00 10.00 C ATOM 651 CE1 TYR A 48 12.448 5.120 -0.365 1.00 10.00 C ATOM 652 CE2 TYR A 48 13.681 3.621 1.076 1.00 10.00 C ATOM 653 CZ TYR A 48 13.207 4.909 0.790 1.00 10.00 C ATOM 654 OH TYR A 48 13.648 5.994 1.494 1.00 10.00 O ATOM 0 H TYR A 48 10.589 0.205 -0.771 1.00 10.00 H new ATOM 0 HA TYR A 48 10.792 2.420 -2.733 1.00 10.00 H new ATOM 0 HB2 TYR A 48 13.084 0.781 -1.675 1.00 10.00 H new ATOM 0 HB3 TYR A 48 13.127 1.912 -3.013 1.00 10.00 H new ATOM 0 HD1 TYR A 48 11.844 4.300 -2.259 1.00 10.00 H new ATOM 0 HD2 TYR A 48 13.845 1.580 0.398 1.00 10.00 H new ATOM 0 HE1 TYR A 48 11.938 6.060 -0.515 1.00 10.00 H new ATOM 0 HE2 TYR A 48 14.179 3.430 2.015 1.00 10.00 H new ATOM 0 HH TYR A 48 13.457 6.812 0.988 1.00 10.00 H new ATOM 664 N MET A 49 10.003 0.637 -4.256 1.00 10.00 N ATOM 665 CA MET A 49 9.365 -0.323 -5.147 1.00 10.00 C ATOM 666 C MET A 49 8.928 0.430 -6.402 1.00 10.00 C ATOM 667 O MET A 49 9.273 1.598 -6.549 1.00 10.00 O ATOM 668 CB MET A 49 8.231 -1.079 -4.437 1.00 10.00 C ATOM 669 CG MET A 49 7.055 -0.199 -4.008 1.00 10.00 C ATOM 670 SD MET A 49 5.719 -1.121 -3.205 1.00 10.00 S ATOM 671 CE MET A 49 4.555 0.211 -2.844 1.00 10.00 C ATOM 0 H MET A 49 9.773 1.601 -4.497 1.00 10.00 H new ATOM 0 HA MET A 49 10.061 -1.107 -5.446 1.00 10.00 H new ATOM 0 HB2 MET A 49 7.861 -1.860 -5.101 1.00 10.00 H new ATOM 0 HB3 MET A 49 8.638 -1.575 -3.556 1.00 10.00 H new ATOM 0 HG2 MET A 49 7.417 0.570 -3.325 1.00 10.00 H new ATOM 0 HG3 MET A 49 6.657 0.314 -4.883 1.00 10.00 H new ATOM 0 HE1 MET A 49 3.676 -0.199 -2.347 1.00 10.00 H new ATOM 0 HE2 MET A 49 5.031 0.944 -2.193 1.00 10.00 H new ATOM 0 HE3 MET A 49 4.254 0.693 -3.774 1.00 10.00 H new ATOM 681 N THR A 50 8.173 -0.206 -7.299 1.00 10.00 N ATOM 682 CA THR A 50 7.515 0.512 -8.395 1.00 10.00 C ATOM 683 C THR A 50 6.021 0.194 -8.459 1.00 10.00 C ATOM 684 O THR A 50 5.594 -0.920 -8.169 1.00 10.00 O ATOM 685 CB THR A 50 8.233 0.309 -9.746 1.00 10.00 C ATOM 686 OG1 THR A 50 7.429 0.743 -10.832 1.00 10.00 O ATOM 687 CG2 THR A 50 8.640 -1.144 -9.995 1.00 10.00 C ATOM 0 H THR A 50 8.002 -1.211 -7.290 1.00 10.00 H new ATOM 0 HA THR A 50 7.596 1.577 -8.177 1.00 10.00 H new ATOM 0 HB THR A 50 9.137 0.915 -9.684 1.00 10.00 H new ATOM 0 HG1 THR A 50 7.149 1.670 -10.682 1.00 10.00 H new ATOM 0 HG21 THR A 50 9.140 -1.221 -10.960 1.00 10.00 H new ATOM 0 HG22 THR A 50 9.319 -1.472 -9.208 1.00 10.00 H new ATOM 0 HG23 THR A 50 7.752 -1.776 -9.995 1.00 10.00 H new ATOM 695 N LEU A 51 5.241 1.204 -8.850 1.00 10.00 N ATOM 696 CA LEU A 51 3.925 1.052 -9.435 1.00 10.00 C ATOM 697 C LEU A 51 4.157 0.965 -10.932 1.00 10.00 C ATOM 698 O LEU A 51 4.579 1.942 -11.543 1.00 10.00 O ATOM 699 CB LEU A 51 3.092 2.306 -9.175 1.00 10.00 C ATOM 700 CG LEU A 51 2.175 2.181 -7.951 1.00 10.00 C ATOM 701 CD1 LEU A 51 2.965 1.877 -6.671 1.00 10.00 C ATOM 702 CD2 LEU A 51 1.396 3.485 -7.773 1.00 10.00 C ATOM 0 H LEU A 51 5.526 2.179 -8.761 1.00 10.00 H new ATOM 0 HA LEU A 51 3.409 0.185 -9.023 1.00 10.00 H new ATOM 0 HB2 LEU A 51 3.760 3.155 -9.035 1.00 10.00 H new ATOM 0 HB3 LEU A 51 2.485 2.520 -10.055 1.00 10.00 H new ATOM 0 HG LEU A 51 1.493 1.349 -8.124 1.00 10.00 H new ATOM 0 HD11 LEU A 51 2.277 1.797 -5.829 1.00 10.00 H new ATOM 0 HD12 LEU A 51 3.504 0.937 -6.790 1.00 10.00 H new ATOM 0 HD13 LEU A 51 3.676 2.681 -6.483 1.00 10.00 H new ATOM 0 HD21 LEU A 51 0.742 3.403 -6.905 1.00 10.00 H new ATOM 0 HD22 LEU A 51 2.094 4.309 -7.625 1.00 10.00 H new ATOM 0 HD23 LEU A 51 0.795 3.674 -8.663 1.00 10.00 H new ATOM 714 N THR A 52 3.875 -0.196 -11.502 1.00 10.00 N ATOM 715 CA THR A 52 4.209 -0.533 -12.874 1.00 10.00 C ATOM 716 C THR A 52 2.912 -0.844 -13.622 1.00 10.00 C ATOM 717 O THR A 52 2.525 -2.006 -13.731 1.00 10.00 O ATOM 718 CB THR A 52 5.176 -1.726 -12.830 1.00 10.00 C ATOM 719 OG1 THR A 52 6.152 -1.542 -11.820 1.00 10.00 O ATOM 720 CG2 THR A 52 5.872 -1.941 -14.175 1.00 10.00 C ATOM 0 H THR A 52 3.395 -0.949 -11.009 1.00 10.00 H new ATOM 0 HA THR A 52 4.699 0.284 -13.403 1.00 10.00 H new ATOM 0 HB THR A 52 4.581 -2.611 -12.605 1.00 10.00 H new ATOM 0 HG1 THR A 52 6.370 -0.589 -11.745 1.00 10.00 H new ATOM 0 HG21 THR A 52 6.547 -2.793 -14.103 1.00 10.00 H new ATOM 0 HG22 THR A 52 5.125 -2.134 -14.945 1.00 10.00 H new ATOM 0 HG23 THR A 52 6.441 -1.049 -14.437 1.00 10.00 H new ATOM 728 N ASN A 53 2.197 0.182 -14.096 1.00 10.00 N ATOM 729 CA ASN A 53 0.844 -0.027 -14.600 1.00 10.00 C ATOM 730 C ASN A 53 0.886 -0.518 -16.042 1.00 10.00 C ATOM 731 O ASN A 53 1.655 0.004 -16.847 1.00 10.00 O ATOM 732 CB ASN A 53 0.047 1.280 -14.518 1.00 10.00 C ATOM 733 CG ASN A 53 -1.451 1.058 -14.362 1.00 10.00 C ATOM 734 OD1 ASN A 53 -1.950 -0.058 -14.482 1.00 10.00 O ATOM 735 ND2 ASN A 53 -2.162 2.111 -13.976 1.00 10.00 N ATOM 0 H ASN A 53 2.528 1.146 -14.140 1.00 10.00 H new ATOM 0 HA ASN A 53 0.356 -0.783 -13.986 1.00 10.00 H new ATOM 0 HB2 ASN A 53 0.411 1.868 -13.675 1.00 10.00 H new ATOM 0 HB3 ASN A 53 0.229 1.867 -15.418 1.00 10.00 H new ATOM 0 HD21 ASN A 53 -3.155 2.007 -13.769 1.00 10.00 H new ATOM 0 HD22 ASN A 53 -1.715 3.023 -13.887 1.00 10.00 H new ATOM 742 N LYS A 54 0.054 -1.503 -16.389 1.00 10.00 N ATOM 743 CA LYS A 54 -0.131 -1.932 -17.769 1.00 10.00 C ATOM 744 C LYS A 54 -1.634 -1.930 -18.038 1.00 10.00 C ATOM 745 O LYS A 54 -2.211 -2.922 -18.483 1.00 10.00 O ATOM 746 CB LYS A 54 0.492 -3.322 -17.951 1.00 10.00 C ATOM 747 CG LYS A 54 2.027 -3.338 -17.861 1.00 10.00 C ATOM 748 CD LYS A 54 2.721 -2.936 -19.171 1.00 10.00 C ATOM 749 CE LYS A 54 2.620 -4.050 -20.229 1.00 10.00 C ATOM 750 NZ LYS A 54 3.375 -3.731 -21.457 1.00 10.00 N ATOM 0 H LYS A 54 -0.509 -2.024 -15.717 1.00 10.00 H new ATOM 0 HA LYS A 54 0.360 -1.267 -18.479 1.00 10.00 H new ATOM 0 HB2 LYS A 54 0.087 -3.992 -17.193 1.00 10.00 H new ATOM 0 HB3 LYS A 54 0.191 -3.719 -18.921 1.00 10.00 H new ATOM 0 HG2 LYS A 54 2.344 -2.660 -17.068 1.00 10.00 H new ATOM 0 HG3 LYS A 54 2.356 -4.337 -17.576 1.00 10.00 H new ATOM 0 HD2 LYS A 54 2.268 -2.023 -19.558 1.00 10.00 H new ATOM 0 HD3 LYS A 54 3.770 -2.713 -18.975 1.00 10.00 H new ATOM 0 HE2 LYS A 54 2.995 -4.983 -19.807 1.00 10.00 H new ATOM 0 HE3 LYS A 54 1.572 -4.213 -20.482 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 3.276 -4.511 -22.138 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 3.002 -2.856 -21.876 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 4.380 -3.601 -21.223 1.00 10.00 H new ATOM 764 N SER A 55 -2.240 -0.771 -17.778 1.00 10.00 N ATOM 765 CA SER A 55 -3.602 -0.414 -18.117 1.00 10.00 C ATOM 766 C SER A 55 -3.642 1.111 -18.122 1.00 10.00 C ATOM 767 O SER A 55 -3.219 1.741 -17.154 1.00 10.00 O ATOM 768 CB SER A 55 -4.600 -0.920 -17.071 1.00 10.00 C ATOM 769 OG SER A 55 -4.389 -2.273 -16.721 1.00 10.00 O ATOM 0 H SER A 55 -1.755 -0.015 -17.295 1.00 10.00 H new ATOM 0 HA SER A 55 -3.877 -0.857 -19.074 1.00 10.00 H new ATOM 0 HB2 SER A 55 -4.526 -0.302 -16.176 1.00 10.00 H new ATOM 0 HB3 SER A 55 -5.613 -0.803 -17.456 1.00 10.00 H new ATOM 0 HG SER A 55 -5.050 -2.544 -16.051 1.00 10.00 H new ATOM 775 N ASP A 56 -4.153 1.705 -19.193 1.00 10.00 N ATOM 776 CA ASP A 56 -4.309 3.145 -19.324 1.00 10.00 C ATOM 777 C ASP A 56 -5.513 3.621 -18.506 1.00 10.00 C ATOM 778 O ASP A 56 -6.475 4.156 -19.052 1.00 10.00 O ATOM 779 CB ASP A 56 -4.390 3.529 -20.811 1.00 10.00 C ATOM 780 CG ASP A 56 -3.013 3.562 -21.451 1.00 10.00 C ATOM 781 OD1 ASP A 56 -2.226 4.456 -21.077 1.00 10.00 O ATOM 782 OD2 ASP A 56 -2.710 2.687 -22.291 1.00 10.00 O ATOM 0 H ASP A 56 -4.477 1.187 -20.010 1.00 10.00 H new ATOM 0 HA ASP A 56 -3.437 3.657 -18.916 1.00 10.00 H new ATOM 0 HB2 ASP A 56 -5.021 2.814 -21.339 1.00 10.00 H new ATOM 0 HB3 ASP A 56 -4.863 4.506 -20.911 1.00 10.00 H new ATOM 787 N GLN A 57 -5.457 3.422 -17.184 1.00 10.00 N ATOM 788 CA GLN A 57 -6.478 3.829 -16.224 1.00 10.00 C ATOM 789 C GLN A 57 -5.785 4.499 -15.025 1.00 10.00 C ATOM 790 O GLN A 57 -4.762 3.991 -14.574 1.00 10.00 O ATOM 791 CB GLN A 57 -7.256 2.583 -15.780 1.00 10.00 C ATOM 792 CG GLN A 57 -8.185 2.055 -16.886 1.00 10.00 C ATOM 793 CD GLN A 57 -8.180 0.532 -16.967 1.00 10.00 C ATOM 794 OE1 GLN A 57 -8.179 -0.155 -15.952 1.00 10.00 O ATOM 795 NE2 GLN A 57 -8.152 -0.015 -18.180 1.00 10.00 N ATOM 0 H GLN A 57 -4.666 2.954 -16.741 1.00 10.00 H new ATOM 0 HA GLN A 57 -7.175 4.539 -16.669 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -6.553 1.801 -15.494 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -7.846 2.821 -14.895 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -9.201 2.404 -16.701 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -7.876 2.469 -17.846 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -8.154 0.580 -19.008 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -8.129 -1.030 -18.281 1.00 10.00 H new ATOM 804 N PRO A 58 -6.292 5.634 -14.512 1.00 10.00 N ATOM 805 CA PRO A 58 -5.672 6.369 -13.414 1.00 10.00 C ATOM 806 C PRO A 58 -5.965 5.700 -12.064 1.00 10.00 C ATOM 807 O PRO A 58 -7.046 5.883 -11.509 1.00 10.00 O ATOM 808 CB PRO A 58 -6.282 7.773 -13.496 1.00 10.00 C ATOM 809 CG PRO A 58 -7.679 7.523 -14.065 1.00 10.00 C ATOM 810 CD PRO A 58 -7.453 6.351 -15.020 1.00 10.00 C ATOM 0 HA PRO A 58 -4.585 6.394 -13.493 1.00 10.00 H new ATOM 0 HB2 PRO A 58 -6.327 8.249 -12.516 1.00 10.00 H new ATOM 0 HB3 PRO A 58 -5.697 8.428 -14.142 1.00 10.00 H new ATOM 0 HG2 PRO A 58 -8.396 7.274 -13.282 1.00 10.00 H new ATOM 0 HG3 PRO A 58 -8.066 8.399 -14.585 1.00 10.00 H new ATOM 0 HD2 PRO A 58 -8.328 5.702 -15.054 1.00 10.00 H new ATOM 0 HD3 PRO A 58 -7.279 6.704 -16.036 1.00 10.00 H new ATOM 818 N ILE A 59 -5.007 4.936 -11.524 1.00 10.00 N ATOM 819 CA ILE A 59 -5.168 4.249 -10.233 1.00 10.00 C ATOM 820 C ILE A 59 -4.258 4.908 -9.193 1.00 10.00 C ATOM 821 O ILE A 59 -3.083 4.574 -9.072 1.00 10.00 O ATOM 822 CB ILE A 59 -4.965 2.717 -10.327 1.00 10.00 C ATOM 823 CG1 ILE A 59 -6.126 1.981 -11.025 1.00 10.00 C ATOM 824 CG2 ILE A 59 -4.900 2.091 -8.920 1.00 10.00 C ATOM 825 CD1 ILE A 59 -6.202 2.218 -12.528 1.00 10.00 C ATOM 0 H ILE A 59 -4.102 4.776 -11.966 1.00 10.00 H new ATOM 0 HA ILE A 59 -6.203 4.363 -9.912 1.00 10.00 H new ATOM 0 HB ILE A 59 -4.043 2.601 -10.897 1.00 10.00 H new ATOM 0 HG12 ILE A 59 -6.026 0.911 -10.842 1.00 10.00 H new ATOM 0 HG13 ILE A 59 -7.066 2.295 -10.571 1.00 10.00 H new ATOM 0 HG21 ILE A 59 -4.757 1.014 -9.007 1.00 10.00 H new ATOM 0 HG22 ILE A 59 -4.066 2.524 -8.367 1.00 10.00 H new ATOM 0 HG23 ILE A 59 -5.831 2.292 -8.389 1.00 10.00 H new ATOM 0 HD11 ILE A 59 -7.045 1.665 -12.941 1.00 10.00 H new ATOM 0 HD12 ILE A 59 -6.336 3.282 -12.722 1.00 10.00 H new ATOM 0 HD13 ILE A 59 -5.279 1.877 -12.997 1.00 10.00 H new ATOM 837 N LYS A 60 -4.824 5.832 -8.416 1.00 10.00 N ATOM 838 CA LYS A 60 -4.107 6.577 -7.393 1.00 10.00 C ATOM 839 C LYS A 60 -4.012 5.761 -6.098 1.00 10.00 C ATOM 840 O LYS A 60 -5.034 5.424 -5.505 1.00 10.00 O ATOM 841 CB LYS A 60 -4.786 7.941 -7.204 1.00 10.00 C ATOM 842 CG LYS A 60 -6.261 7.928 -6.768 1.00 10.00 C ATOM 843 CD LYS A 60 -6.820 9.352 -6.915 1.00 10.00 C ATOM 844 CE LYS A 60 -8.249 9.455 -6.367 1.00 10.00 C ATOM 845 NZ LYS A 60 -8.811 10.809 -6.560 1.00 10.00 N ATOM 0 H LYS A 60 -5.810 6.084 -8.485 1.00 10.00 H new ATOM 0 HA LYS A 60 -3.079 6.761 -7.704 1.00 10.00 H new ATOM 0 HB2 LYS A 60 -4.218 8.503 -6.463 1.00 10.00 H new ATOM 0 HB3 LYS A 60 -4.714 8.489 -8.144 1.00 10.00 H new ATOM 0 HG2 LYS A 60 -6.832 7.231 -7.381 1.00 10.00 H new ATOM 0 HG3 LYS A 60 -6.349 7.590 -5.735 1.00 10.00 H new ATOM 0 HD2 LYS A 60 -6.175 10.053 -6.386 1.00 10.00 H new ATOM 0 HD3 LYS A 60 -6.811 9.641 -7.966 1.00 10.00 H new ATOM 0 HE2 LYS A 60 -8.884 8.723 -6.866 1.00 10.00 H new ATOM 0 HE3 LYS A 60 -8.251 9.208 -5.305 1.00 10.00 H new ATOM 0 HZ1 LYS A 60 -9.778 10.841 -6.178 1.00 10.00 H new ATOM 0 HZ2 LYS A 60 -8.219 11.505 -6.063 1.00 10.00 H new ATOM 0 HZ3 LYS A 60 -8.832 11.035 -7.575 1.00 10.00 H new ATOM 859 N LEU A 61 -2.789 5.428 -5.671 1.00 10.00 N ATOM 860 CA LEU A 61 -2.499 4.563 -4.545 1.00 10.00 C ATOM 861 C LEU A 61 -2.430 5.430 -3.295 1.00 10.00 C ATOM 862 O LEU A 61 -1.651 6.378 -3.257 1.00 10.00 O ATOM 863 CB LEU A 61 -1.191 3.823 -4.861 1.00 10.00 C ATOM 864 CG LEU A 61 -0.464 3.100 -3.717 1.00 10.00 C ATOM 865 CD1 LEU A 61 0.252 4.092 -2.796 1.00 10.00 C ATOM 866 CD2 LEU A 61 -1.364 2.140 -2.935 1.00 10.00 C ATOM 0 H LEU A 61 -1.945 5.774 -6.127 1.00 10.00 H new ATOM 0 HA LEU A 61 -3.266 3.810 -4.367 1.00 10.00 H new ATOM 0 HB2 LEU A 61 -1.405 3.087 -5.636 1.00 10.00 H new ATOM 0 HB3 LEU A 61 -0.497 4.545 -5.291 1.00 10.00 H new ATOM 0 HG LEU A 61 0.294 2.473 -4.186 1.00 10.00 H new ATOM 0 HD11 LEU A 61 0.756 3.548 -1.997 1.00 10.00 H new ATOM 0 HD12 LEU A 61 0.986 4.657 -3.370 1.00 10.00 H new ATOM 0 HD13 LEU A 61 -0.476 4.778 -2.364 1.00 10.00 H new ATOM 0 HD21 LEU A 61 -0.786 1.664 -2.143 1.00 10.00 H new ATOM 0 HD22 LEU A 61 -2.193 2.695 -2.496 1.00 10.00 H new ATOM 0 HD23 LEU A 61 -1.754 1.377 -3.608 1.00 10.00 H new ATOM 878 N VAL A 62 -3.244 5.119 -2.282 1.00 10.00 N ATOM 879 CA VAL A 62 -3.258 5.864 -1.031 1.00 10.00 C ATOM 880 C VAL A 62 -3.495 4.921 0.149 1.00 10.00 C ATOM 881 O VAL A 62 -4.395 5.116 0.959 1.00 10.00 O ATOM 882 CB VAL A 62 -4.268 7.021 -1.151 1.00 10.00 C ATOM 883 CG1 VAL A 62 -5.707 6.595 -1.471 1.00 10.00 C ATOM 884 CG2 VAL A 62 -4.213 7.996 0.026 1.00 10.00 C ATOM 0 H VAL A 62 -3.908 4.345 -2.311 1.00 10.00 H new ATOM 0 HA VAL A 62 -2.289 6.321 -0.831 1.00 10.00 H new ATOM 0 HB VAL A 62 -3.928 7.562 -2.034 1.00 10.00 H new ATOM 0 HG11 VAL A 62 -6.342 7.478 -1.535 1.00 10.00 H new ATOM 0 HG12 VAL A 62 -5.726 6.064 -2.423 1.00 10.00 H new ATOM 0 HG13 VAL A 62 -6.076 5.939 -0.682 1.00 10.00 H new ATOM 0 HG21 VAL A 62 -4.949 8.786 -0.121 1.00 10.00 H new ATOM 0 HG22 VAL A 62 -4.433 7.463 0.951 1.00 10.00 H new ATOM 0 HG23 VAL A 62 -3.217 8.435 0.089 1.00 10.00 H new ATOM 894 N GLY A 63 -2.648 3.898 0.272 1.00 10.00 N ATOM 895 CA GLY A 63 -2.512 3.159 1.516 1.00 10.00 C ATOM 896 C GLY A 63 -1.192 2.398 1.513 1.00 10.00 C ATOM 897 O GLY A 63 -0.742 1.981 0.449 1.00 10.00 O ATOM 0 H GLY A 63 -2.046 3.566 -0.481 1.00 10.00 H new ATOM 0 HA2 GLY A 63 -2.548 3.843 2.364 1.00 10.00 H new ATOM 0 HA3 GLY A 63 -3.344 2.465 1.632 1.00 10.00 H new ATOM 901 N ALA A 64 -0.586 2.212 2.688 1.00 10.00 N ATOM 902 CA ALA A 64 0.577 1.354 2.882 1.00 10.00 C ATOM 903 C ALA A 64 0.644 0.928 4.353 1.00 10.00 C ATOM 904 O ALA A 64 1.439 1.470 5.113 1.00 10.00 O ATOM 905 CB ALA A 64 1.845 2.095 2.438 1.00 10.00 C ATOM 0 H ALA A 64 -0.899 2.665 3.547 1.00 10.00 H new ATOM 0 HA ALA A 64 0.495 0.454 2.273 1.00 10.00 H new ATOM 0 HB1 ALA A 64 2.713 1.451 2.584 1.00 10.00 H new ATOM 0 HB2 ALA A 64 1.762 2.358 1.384 1.00 10.00 H new ATOM 0 HB3 ALA A 64 1.962 3.002 3.030 1.00 10.00 H new ATOM 911 N ALA A 65 -0.206 -0.013 4.773 1.00 10.00 N ATOM 912 CA ALA A 65 -0.230 -0.525 6.140 1.00 10.00 C ATOM 913 C ALA A 65 0.539 -1.845 6.209 1.00 10.00 C ATOM 914 O ALA A 65 0.700 -2.521 5.197 1.00 10.00 O ATOM 915 CB ALA A 65 -1.681 -0.717 6.586 1.00 10.00 C ATOM 0 H ALA A 65 -0.903 -0.443 4.165 1.00 10.00 H new ATOM 0 HA ALA A 65 0.250 0.188 6.810 1.00 10.00 H new ATOM 0 HB1 ALA A 65 -1.700 -1.099 7.607 1.00 10.00 H new ATOM 0 HB2 ALA A 65 -2.203 0.239 6.547 1.00 10.00 H new ATOM 0 HB3 ALA A 65 -2.174 -1.428 5.923 1.00 10.00 H new ATOM 921 N THR A 66 1.016 -2.224 7.397 1.00 10.00 N ATOM 922 CA THR A 66 1.736 -3.471 7.631 1.00 10.00 C ATOM 923 C THR A 66 1.936 -3.602 9.146 1.00 10.00 C ATOM 924 O THR A 66 2.148 -2.576 9.799 1.00 10.00 O ATOM 925 CB THR A 66 3.079 -3.464 6.870 1.00 10.00 C ATOM 926 OG1 THR A 66 3.837 -4.615 7.168 1.00 10.00 O ATOM 927 CG2 THR A 66 3.921 -2.217 7.136 1.00 10.00 C ATOM 0 H THR A 66 0.908 -1.658 8.239 1.00 10.00 H new ATOM 0 HA THR A 66 1.174 -4.329 7.260 1.00 10.00 H new ATOM 0 HB THR A 66 2.816 -3.458 5.812 1.00 10.00 H new ATOM 0 HG1 THR A 66 3.458 -5.387 6.698 1.00 10.00 H new ATOM 0 HG21 THR A 66 4.850 -2.278 6.570 1.00 10.00 H new ATOM 0 HG22 THR A 66 3.366 -1.331 6.828 1.00 10.00 H new ATOM 0 HG23 THR A 66 4.148 -2.151 8.200 1.00 10.00 H new ATOM 935 N PRO A 67 1.864 -4.807 9.739 1.00 10.00 N ATOM 936 CA PRO A 67 2.090 -5.011 11.166 1.00 10.00 C ATOM 937 C PRO A 67 3.594 -4.942 11.469 1.00 10.00 C ATOM 938 O PRO A 67 4.197 -5.907 11.929 1.00 10.00 O ATOM 939 CB PRO A 67 1.480 -6.386 11.462 1.00 10.00 C ATOM 940 CG PRO A 67 1.719 -7.147 10.158 1.00 10.00 C ATOM 941 CD PRO A 67 1.522 -6.066 9.094 1.00 10.00 C ATOM 0 HA PRO A 67 1.633 -4.248 11.796 1.00 10.00 H new ATOM 0 HB2 PRO A 67 1.966 -6.871 12.309 1.00 10.00 H new ATOM 0 HB3 PRO A 67 0.419 -6.315 11.701 1.00 10.00 H new ATOM 0 HG2 PRO A 67 2.720 -7.576 10.118 1.00 10.00 H new ATOM 0 HG3 PRO A 67 1.014 -7.969 10.035 1.00 10.00 H new ATOM 0 HD2 PRO A 67 2.160 -6.248 8.229 1.00 10.00 H new ATOM 0 HD3 PRO A 67 0.493 -6.054 8.734 1.00 10.00 H new ATOM 949 N LEU A 68 4.204 -3.790 11.184 1.00 10.00 N ATOM 950 CA LEU A 68 5.647 -3.624 11.090 1.00 10.00 C ATOM 951 C LEU A 68 5.983 -2.148 11.333 1.00 10.00 C ATOM 952 O LEU A 68 6.772 -1.820 12.221 1.00 10.00 O ATOM 953 CB LEU A 68 6.078 -4.131 9.699 1.00 10.00 C ATOM 954 CG LEU A 68 7.520 -4.631 9.551 1.00 10.00 C ATOM 955 CD1 LEU A 68 8.542 -3.498 9.574 1.00 10.00 C ATOM 956 CD2 LEU A 68 7.901 -5.701 10.581 1.00 10.00 C ATOM 0 H LEU A 68 3.690 -2.927 11.008 1.00 10.00 H new ATOM 0 HA LEU A 68 6.191 -4.198 11.840 1.00 10.00 H new ATOM 0 HB2 LEU A 68 5.408 -4.942 9.413 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.925 -3.324 8.983 1.00 10.00 H new ATOM 0 HG LEU A 68 7.548 -5.097 8.566 1.00 10.00 H new ATOM 0 HD11 LEU A 68 9.545 -3.911 9.466 1.00 10.00 H new ATOM 0 HD12 LEU A 68 8.342 -2.810 8.752 1.00 10.00 H new ATOM 0 HD13 LEU A 68 8.470 -2.963 10.521 1.00 10.00 H new ATOM 0 HD21 LEU A 68 8.934 -6.010 10.419 1.00 10.00 H new ATOM 0 HD22 LEU A 68 7.798 -5.292 11.586 1.00 10.00 H new ATOM 0 HD23 LEU A 68 7.243 -6.563 10.471 1.00 10.00 H new ATOM 968 N ALA A 69 5.307 -1.262 10.593 1.00 10.00 N ATOM 969 CA ALA A 69 5.279 0.181 10.782 1.00 10.00 C ATOM 970 C ALA A 69 4.044 0.574 11.590 1.00 10.00 C ATOM 971 O ALA A 69 3.166 -0.259 11.821 1.00 10.00 O ATOM 972 CB ALA A 69 5.275 0.848 9.410 1.00 10.00 C ATOM 0 H ALA A 69 4.734 -1.556 9.802 1.00 10.00 H new ATOM 0 HA ALA A 69 6.158 0.510 11.337 1.00 10.00 H new ATOM 0 HB1 ALA A 69 5.254 1.931 9.532 1.00 10.00 H new ATOM 0 HB2 ALA A 69 6.174 0.562 8.864 1.00 10.00 H new ATOM 0 HB3 ALA A 69 4.394 0.529 8.853 1.00 10.00 H new ATOM 978 N THR A 70 3.979 1.825 12.053 1.00 10.00 N ATOM 979 CA THR A 70 2.868 2.325 12.868 1.00 10.00 C ATOM 980 C THR A 70 2.380 3.703 12.400 1.00 10.00 C ATOM 981 O THR A 70 1.443 4.252 12.975 1.00 10.00 O ATOM 982 CB THR A 70 3.292 2.334 14.350 1.00 10.00 C ATOM 983 OG1 THR A 70 3.965 1.126 14.665 1.00 10.00 O ATOM 984 CG2 THR A 70 2.118 2.456 15.328 1.00 10.00 C ATOM 0 H THR A 70 4.700 2.524 11.872 1.00 10.00 H new ATOM 0 HA THR A 70 2.016 1.655 12.748 1.00 10.00 H new ATOM 0 HB THR A 70 3.930 3.210 14.464 1.00 10.00 H new ATOM 0 HG1 THR A 70 4.908 1.200 14.407 1.00 10.00 H new ATOM 0 HG21 THR A 70 2.495 2.455 16.351 1.00 10.00 H new ATOM 0 HG22 THR A 70 1.582 3.386 15.139 1.00 10.00 H new ATOM 0 HG23 THR A 70 1.441 1.613 15.190 1.00 10.00 H new ATOM 992 N SER A 71 3.007 4.303 11.387 1.00 10.00 N ATOM 993 CA SER A 71 2.743 5.684 11.015 1.00 10.00 C ATOM 994 C SER A 71 3.021 5.884 9.518 1.00 10.00 C ATOM 995 O SER A 71 4.005 6.524 9.158 1.00 10.00 O ATOM 996 CB SER A 71 3.622 6.559 11.919 1.00 10.00 C ATOM 997 OG SER A 71 3.288 6.348 13.280 1.00 10.00 O ATOM 0 H SER A 71 3.708 3.843 10.807 1.00 10.00 H new ATOM 0 HA SER A 71 1.699 5.962 11.160 1.00 10.00 H new ATOM 0 HB2 SER A 71 4.673 6.323 11.754 1.00 10.00 H new ATOM 0 HB3 SER A 71 3.487 7.610 11.663 1.00 10.00 H new ATOM 0 HG SER A 71 3.856 6.910 13.847 1.00 10.00 H new ATOM 1003 N PRO A 72 2.181 5.321 8.634 1.00 10.00 N ATOM 1004 CA PRO A 72 2.380 5.401 7.196 1.00 10.00 C ATOM 1005 C PRO A 72 2.010 6.786 6.660 1.00 10.00 C ATOM 1006 O PRO A 72 0.921 7.283 6.937 1.00 10.00 O ATOM 1007 CB PRO A 72 1.494 4.301 6.612 1.00 10.00 C ATOM 1008 CG PRO A 72 0.340 4.212 7.610 1.00 10.00 C ATOM 1009 CD PRO A 72 1.024 4.495 8.948 1.00 10.00 C ATOM 0 HA PRO A 72 3.424 5.259 6.916 1.00 10.00 H new ATOM 0 HB2 PRO A 72 1.142 4.556 5.612 1.00 10.00 H new ATOM 0 HB3 PRO A 72 2.029 3.355 6.530 1.00 10.00 H new ATOM 0 HG2 PRO A 72 -0.440 4.942 7.392 1.00 10.00 H new ATOM 0 HG3 PRO A 72 -0.131 3.229 7.597 1.00 10.00 H new ATOM 0 HD2 PRO A 72 0.349 5.011 9.631 1.00 10.00 H new ATOM 0 HD3 PRO A 72 1.326 3.569 9.437 1.00 10.00 H new ATOM 1017 N MET A 73 2.915 7.401 5.892 1.00 10.00 N ATOM 1018 CA MET A 73 2.749 8.723 5.299 1.00 10.00 C ATOM 1019 C MET A 73 3.307 8.716 3.873 1.00 10.00 C ATOM 1020 O MET A 73 4.444 8.306 3.651 1.00 10.00 O ATOM 1021 CB MET A 73 3.504 9.749 6.151 1.00 10.00 C ATOM 1022 CG MET A 73 2.811 10.052 7.484 1.00 10.00 C ATOM 1023 SD MET A 73 1.257 10.971 7.347 1.00 10.00 S ATOM 1024 CE MET A 73 0.792 11.048 9.089 1.00 10.00 C ATOM 0 H MET A 73 3.812 6.974 5.661 1.00 10.00 H new ATOM 0 HA MET A 73 1.692 8.986 5.265 1.00 10.00 H new ATOM 0 HB2 MET A 73 4.510 9.379 6.348 1.00 10.00 H new ATOM 0 HB3 MET A 73 3.610 10.675 5.585 1.00 10.00 H new ATOM 0 HG2 MET A 73 2.615 9.110 7.997 1.00 10.00 H new ATOM 0 HG3 MET A 73 3.497 10.620 8.112 1.00 10.00 H new ATOM 0 HE1 MET A 73 -0.151 11.585 9.190 1.00 10.00 H new ATOM 0 HE2 MET A 73 0.678 10.037 9.480 1.00 10.00 H new ATOM 0 HE3 MET A 73 1.568 11.568 9.650 1.00 10.00 H new ATOM 1034 N LEU A 74 2.522 9.176 2.900 1.00 10.00 N ATOM 1035 CA LEU A 74 2.941 9.287 1.506 1.00 10.00 C ATOM 1036 C LEU A 74 3.689 10.611 1.295 1.00 10.00 C ATOM 1037 O LEU A 74 3.272 11.645 1.819 1.00 10.00 O ATOM 1038 CB LEU A 74 1.695 9.160 0.616 1.00 10.00 C ATOM 1039 CG LEU A 74 1.228 7.690 0.569 1.00 10.00 C ATOM 1040 CD1 LEU A 74 -0.277 7.566 0.804 1.00 10.00 C ATOM 1041 CD2 LEU A 74 1.579 7.078 -0.791 1.00 10.00 C ATOM 0 H LEU A 74 1.564 9.486 3.061 1.00 10.00 H new ATOM 0 HA LEU A 74 3.633 8.489 1.236 1.00 10.00 H new ATOM 0 HB2 LEU A 74 0.896 9.792 1.003 1.00 10.00 H new ATOM 0 HB3 LEU A 74 1.920 9.511 -0.391 1.00 10.00 H new ATOM 0 HG LEU A 74 1.742 7.154 1.367 1.00 10.00 H new ATOM 0 HD11 LEU A 74 -0.566 6.516 0.763 1.00 10.00 H new ATOM 0 HD12 LEU A 74 -0.527 7.973 1.784 1.00 10.00 H new ATOM 0 HD13 LEU A 74 -0.813 8.120 0.033 1.00 10.00 H new ATOM 0 HD21 LEU A 74 1.247 6.040 -0.819 1.00 10.00 H new ATOM 0 HD22 LEU A 74 1.082 7.640 -1.582 1.00 10.00 H new ATOM 0 HD23 LEU A 74 2.658 7.118 -0.941 1.00 10.00 H new ATOM 1053 N MET A 75 4.803 10.565 0.553 1.00 10.00 N ATOM 1054 CA MET A 75 5.588 11.718 0.113 1.00 10.00 C ATOM 1055 C MET A 75 5.315 11.967 -1.377 1.00 10.00 C ATOM 1056 O MET A 75 4.537 11.236 -1.982 1.00 10.00 O ATOM 1057 CB MET A 75 7.091 11.456 0.348 1.00 10.00 C ATOM 1058 CG MET A 75 7.765 12.598 1.117 1.00 10.00 C ATOM 1059 SD MET A 75 7.661 12.409 2.912 1.00 10.00 S ATOM 1060 CE MET A 75 8.437 13.920 3.520 1.00 10.00 C ATOM 0 H MET A 75 5.197 9.681 0.230 1.00 10.00 H new ATOM 0 HA MET A 75 5.301 12.600 0.686 1.00 10.00 H new ATOM 0 HB2 MET A 75 7.213 10.525 0.902 1.00 10.00 H new ATOM 0 HB3 MET A 75 7.589 11.323 -0.612 1.00 10.00 H new ATOM 0 HG2 MET A 75 8.814 12.655 0.825 1.00 10.00 H new ATOM 0 HG3 MET A 75 7.303 13.543 0.830 1.00 10.00 H new ATOM 0 HE1 MET A 75 8.187 14.060 4.572 1.00 10.00 H new ATOM 0 HE2 MET A 75 9.519 13.842 3.412 1.00 10.00 H new ATOM 0 HE3 MET A 75 8.075 14.772 2.944 1.00 10.00 H new ATOM 1070 N THR A 76 5.958 12.982 -1.971 1.00 10.00 N ATOM 1071 CA THR A 76 5.958 13.201 -3.415 1.00 10.00 C ATOM 1072 C THR A 76 7.157 14.071 -3.805 1.00 10.00 C ATOM 1073 O THR A 76 7.138 15.282 -3.611 1.00 10.00 O ATOM 1074 CB THR A 76 4.596 13.720 -3.891 1.00 10.00 C ATOM 1075 OG1 THR A 76 4.589 13.951 -5.286 1.00 10.00 O ATOM 1076 CG2 THR A 76 4.100 14.968 -3.150 1.00 10.00 C ATOM 0 H THR A 76 6.496 13.677 -1.454 1.00 10.00 H new ATOM 0 HA THR A 76 6.090 12.257 -3.944 1.00 10.00 H new ATOM 0 HB THR A 76 3.895 12.921 -3.649 1.00 10.00 H new ATOM 0 HG1 THR A 76 5.494 14.180 -5.584 1.00 10.00 H new ATOM 0 HG21 THR A 76 3.131 15.267 -3.549 1.00 10.00 H new ATOM 0 HG22 THR A 76 4.002 14.745 -2.088 1.00 10.00 H new ATOM 0 HG23 THR A 76 4.815 15.780 -3.286 1.00 10.00 H new ATOM 1084 N THR A 77 8.229 13.470 -4.320 1.00 10.00 N ATOM 1085 CA THR A 77 9.496 14.162 -4.513 1.00 10.00 C ATOM 1086 C THR A 77 10.225 13.553 -5.709 1.00 10.00 C ATOM 1087 O THR A 77 11.355 13.099 -5.614 1.00 10.00 O ATOM 1088 CB THR A 77 10.257 14.175 -3.172 1.00 10.00 C ATOM 1089 OG1 THR A 77 11.571 14.685 -3.273 1.00 10.00 O ATOM 1090 CG2 THR A 77 10.278 12.829 -2.445 1.00 10.00 C ATOM 0 H THR A 77 8.241 12.493 -4.613 1.00 10.00 H new ATOM 0 HA THR A 77 9.374 15.212 -4.779 1.00 10.00 H new ATOM 0 HB THR A 77 9.670 14.863 -2.564 1.00 10.00 H new ATOM 0 HG1 THR A 77 12.164 14.180 -2.678 1.00 10.00 H new ATOM 0 HG21 THR A 77 10.833 12.928 -1.512 1.00 10.00 H new ATOM 0 HG22 THR A 77 9.256 12.517 -2.228 1.00 10.00 H new ATOM 0 HG23 THR A 77 10.759 12.082 -3.076 1.00 10.00 H new ATOM 1098 N THR A 78 9.555 13.557 -6.860 1.00 10.00 N ATOM 1099 CA THR A 78 10.089 13.103 -8.138 1.00 10.00 C ATOM 1100 C THR A 78 9.955 14.227 -9.156 1.00 10.00 C ATOM 1101 O THR A 78 8.978 14.967 -9.136 1.00 10.00 O ATOM 1102 CB THR A 78 9.333 11.854 -8.611 1.00 10.00 C ATOM 1103 OG1 THR A 78 9.791 11.408 -9.877 1.00 10.00 O ATOM 1104 CG2 THR A 78 7.836 12.116 -8.751 1.00 10.00 C ATOM 0 H THR A 78 8.593 13.888 -6.928 1.00 10.00 H new ATOM 0 HA THR A 78 11.141 12.841 -8.027 1.00 10.00 H new ATOM 0 HB THR A 78 9.519 11.098 -7.849 1.00 10.00 H new ATOM 0 HG1 THR A 78 9.683 10.436 -9.940 1.00 10.00 H new ATOM 0 HG21 THR A 78 7.337 11.207 -9.088 1.00 10.00 H new ATOM 0 HG22 THR A 78 7.428 12.418 -7.786 1.00 10.00 H new ATOM 0 HG23 THR A 78 7.672 12.911 -9.479 1.00 10.00 H new ATOM 1112 N HIS A 79 10.914 14.315 -10.078 1.00 10.00 N ATOM 1113 CA HIS A 79 10.835 15.184 -11.243 1.00 10.00 C ATOM 1114 C HIS A 79 10.459 14.319 -12.451 1.00 10.00 C ATOM 1115 O HIS A 79 11.084 14.414 -13.504 1.00 10.00 O ATOM 1116 CB HIS A 79 12.182 15.897 -11.436 1.00 10.00 C ATOM 1117 CG HIS A 79 12.573 16.798 -10.290 1.00 10.00 C ATOM 1118 ND1 HIS A 79 12.535 18.192 -10.319 1.00 10.00 N ATOM 1119 CD2 HIS A 79 13.056 16.385 -9.079 1.00 10.00 C ATOM 1120 CE1 HIS A 79 12.995 18.589 -9.123 1.00 10.00 C ATOM 1121 NE2 HIS A 79 13.311 17.528 -8.358 1.00 10.00 N ATOM 0 H HIS A 79 11.778 13.775 -10.032 1.00 10.00 H new ATOM 0 HA HIS A 79 10.076 15.956 -11.117 1.00 10.00 H new ATOM 0 HB2 HIS A 79 12.961 15.147 -11.576 1.00 10.00 H new ATOM 0 HB3 HIS A 79 12.140 16.488 -12.351 1.00 10.00 H new ATOM 0 HD2 HIS A 79 13.207 15.366 -8.754 1.00 10.00 H new ATOM 0 HE1 HIS A 79 13.098 19.619 -8.816 1.00 10.00 H new ATOM 0 HE2 HIS A 79 13.677 17.565 -7.407 1.00 10.00 H new ATOM 1129 N SER A 80 9.475 13.426 -12.283 1.00 10.00 N ATOM 1130 CA SER A 80 9.083 12.465 -13.309 1.00 10.00 C ATOM 1131 C SER A 80 7.710 11.859 -13.004 1.00 10.00 C ATOM 1132 O SER A 80 6.854 11.828 -13.883 1.00 10.00 O ATOM 1133 CB SER A 80 10.152 11.368 -13.449 1.00 10.00 C ATOM 1134 OG SER A 80 9.901 10.546 -14.574 1.00 10.00 O ATOM 0 H SER A 80 8.929 13.354 -11.425 1.00 10.00 H new ATOM 0 HA SER A 80 9.004 12.993 -14.259 1.00 10.00 H new ATOM 0 HB2 SER A 80 11.136 11.826 -13.543 1.00 10.00 H new ATOM 0 HB3 SER A 80 10.170 10.757 -12.546 1.00 10.00 H new ATOM 0 HG SER A 80 10.597 9.859 -14.639 1.00 10.00 H new ATOM 1140 N GLY A 81 7.521 11.320 -11.793 1.00 10.00 N ATOM 1141 CA GLY A 81 6.263 10.686 -11.405 1.00 10.00 C ATOM 1142 C GLY A 81 5.247 11.723 -10.915 1.00 10.00 C ATOM 1143 O GLY A 81 4.742 12.506 -11.716 1.00 10.00 O ATOM 0 H GLY A 81 8.232 11.313 -11.062 1.00 10.00 H new ATOM 0 HA2 GLY A 81 5.850 10.142 -12.254 1.00 10.00 H new ATOM 0 HA3 GLY A 81 6.449 9.955 -10.618 1.00 10.00 H new ATOM 1147 N GLY A 82 4.933 11.732 -9.614 1.00 10.00 N ATOM 1148 CA GLY A 82 4.137 12.795 -9.011 1.00 10.00 C ATOM 1149 C GLY A 82 4.882 14.134 -8.894 1.00 10.00 C ATOM 1150 O GLY A 82 5.668 14.512 -9.759 1.00 10.00 O ATOM 0 H GLY A 82 5.223 11.006 -8.958 1.00 10.00 H new ATOM 0 HA2 GLY A 82 3.234 12.942 -9.604 1.00 10.00 H new ATOM 0 HA3 GLY A 82 3.818 12.479 -8.018 1.00 10.00 H new ATOM 1154 N MET A 83 4.608 14.876 -7.815 1.00 10.00 N ATOM 1155 CA MET A 83 5.169 16.197 -7.546 1.00 10.00 C ATOM 1156 C MET A 83 6.624 16.062 -7.072 1.00 10.00 C ATOM 1157 O MET A 83 7.040 14.984 -6.639 1.00 10.00 O ATOM 1158 CB MET A 83 4.260 16.909 -6.524 1.00 10.00 C ATOM 1159 CG MET A 83 4.461 18.427 -6.425 1.00 10.00 C ATOM 1160 SD MET A 83 3.311 19.335 -5.348 1.00 10.00 S ATOM 1161 CE MET A 83 1.715 18.946 -6.100 1.00 10.00 C ATOM 0 H MET A 83 3.970 14.560 -7.085 1.00 10.00 H new ATOM 0 HA MET A 83 5.199 16.806 -8.449 1.00 10.00 H new ATOM 0 HB2 MET A 83 3.220 16.712 -6.785 1.00 10.00 H new ATOM 0 HB3 MET A 83 4.430 16.470 -5.541 1.00 10.00 H new ATOM 0 HG2 MET A 83 5.476 18.614 -6.073 1.00 10.00 H new ATOM 0 HG3 MET A 83 4.390 18.846 -7.429 1.00 10.00 H new ATOM 0 HE1 MET A 83 0.951 19.609 -5.695 1.00 10.00 H new ATOM 0 HE2 MET A 83 1.779 19.082 -7.180 1.00 10.00 H new ATOM 0 HE3 MET A 83 1.452 17.912 -5.880 1.00 10.00 H new ATOM 1171 N ALA A 84 7.381 17.166 -7.123 1.00 10.00 N ATOM 1172 CA ALA A 84 8.814 17.229 -6.900 1.00 10.00 C ATOM 1173 C ALA A 84 9.051 18.027 -5.624 1.00 10.00 C ATOM 1174 O ALA A 84 9.800 19.001 -5.634 1.00 10.00 O ATOM 1175 CB ALA A 84 9.465 17.926 -8.102 1.00 10.00 C ATOM 0 H ALA A 84 6.981 18.081 -7.332 1.00 10.00 H new ATOM 0 HA ALA A 84 9.247 16.235 -6.794 1.00 10.00 H new ATOM 0 HB1 ALA A 84 10.543 17.982 -7.950 1.00 10.00 H new ATOM 0 HB2 ALA A 84 9.255 17.359 -9.009 1.00 10.00 H new ATOM 0 HB3 ALA A 84 9.060 18.933 -8.202 1.00 10.00 H new ATOM 1181 N GLY A 85 8.348 17.671 -4.546 1.00 10.00 N ATOM 1182 CA GLY A 85 8.270 18.510 -3.368 1.00 10.00 C ATOM 1183 C GLY A 85 8.198 17.657 -2.107 1.00 10.00 C ATOM 1184 O GLY A 85 7.100 17.281 -1.703 1.00 10.00 O ATOM 0 H GLY A 85 7.824 16.799 -4.474 1.00 10.00 H new ATOM 0 HA2 GLY A 85 9.141 19.164 -3.322 1.00 10.00 H new ATOM 0 HA3 GLY A 85 7.392 19.153 -3.430 1.00 10.00 H new ATOM 1188 N MET A 86 9.338 17.345 -1.480 1.00 10.00 N ATOM 1189 CA MET A 86 9.381 16.486 -0.301 1.00 10.00 C ATOM 1190 C MET A 86 8.651 17.110 0.892 1.00 10.00 C ATOM 1191 O MET A 86 9.242 17.712 1.784 1.00 10.00 O ATOM 1192 CB MET A 86 10.819 16.078 0.028 1.00 10.00 C ATOM 1193 CG MET A 86 10.876 15.151 1.247 1.00 10.00 C ATOM 1194 SD MET A 86 12.336 14.098 1.420 1.00 10.00 S ATOM 1195 CE MET A 86 13.644 15.343 1.407 1.00 10.00 C ATOM 0 H MET A 86 10.253 17.683 -1.779 1.00 10.00 H new ATOM 0 HA MET A 86 8.837 15.571 -0.534 1.00 10.00 H new ATOM 0 HB2 MET A 86 11.262 15.576 -0.833 1.00 10.00 H new ATOM 0 HB3 MET A 86 11.416 16.969 0.219 1.00 10.00 H new ATOM 0 HG2 MET A 86 10.796 15.767 2.143 1.00 10.00 H new ATOM 0 HG3 MET A 86 9.997 14.507 1.223 1.00 10.00 H new ATOM 0 HE1 MET A 86 14.609 14.859 1.559 1.00 10.00 H new ATOM 0 HE2 MET A 86 13.645 15.860 0.447 1.00 10.00 H new ATOM 0 HE3 MET A 86 13.469 16.063 2.207 1.00 10.00 H new ATOM 1205 N LYS A 87 7.344 16.885 0.899 1.00 10.00 N ATOM 1206 CA LYS A 87 6.395 17.149 1.961 1.00 10.00 C ATOM 1207 C LYS A 87 5.536 15.895 2.106 1.00 10.00 C ATOM 1208 O LYS A 87 5.412 15.134 1.145 1.00 10.00 O ATOM 1209 CB LYS A 87 5.548 18.381 1.599 1.00 10.00 C ATOM 1210 CG LYS A 87 4.743 18.211 0.292 1.00 10.00 C ATOM 1211 CD LYS A 87 4.875 19.450 -0.608 1.00 10.00 C ATOM 1212 CE LYS A 87 4.478 19.213 -2.075 1.00 10.00 C ATOM 1213 NZ LYS A 87 3.147 18.601 -2.247 1.00 10.00 N ATOM 0 H LYS A 87 6.884 16.476 0.086 1.00 10.00 H new ATOM 0 HA LYS A 87 6.891 17.368 2.907 1.00 10.00 H new ATOM 0 HB2 LYS A 87 4.859 18.591 2.417 1.00 10.00 H new ATOM 0 HB3 LYS A 87 6.203 19.247 1.503 1.00 10.00 H new ATOM 0 HG2 LYS A 87 5.096 17.330 -0.244 1.00 10.00 H new ATOM 0 HG3 LYS A 87 3.693 18.040 0.528 1.00 10.00 H new ATOM 0 HD2 LYS A 87 4.255 20.248 -0.200 1.00 10.00 H new ATOM 0 HD3 LYS A 87 5.907 19.800 -0.575 1.00 10.00 H new ATOM 0 HE2 LYS A 87 4.499 20.166 -2.604 1.00 10.00 H new ATOM 0 HE3 LYS A 87 5.224 18.571 -2.543 1.00 10.00 H new ATOM 0 HZ1 LYS A 87 2.843 18.704 -3.236 1.00 10.00 H new ATOM 0 HZ2 LYS A 87 3.195 17.591 -2.002 1.00 10.00 H new ATOM 0 HZ3 LYS A 87 2.463 19.076 -1.624 1.00 10.00 H new ATOM 1227 N MET A 88 4.931 15.687 3.275 1.00 10.00 N ATOM 1228 CA MET A 88 3.996 14.587 3.457 1.00 10.00 C ATOM 1229 C MET A 88 2.660 15.038 2.871 1.00 10.00 C ATOM 1230 O MET A 88 2.330 16.223 2.931 1.00 10.00 O ATOM 1231 CB MET A 88 3.863 14.240 4.945 1.00 10.00 C ATOM 1232 CG MET A 88 5.181 13.690 5.504 1.00 10.00 C ATOM 1233 SD MET A 88 5.133 13.052 7.199 1.00 10.00 S ATOM 1234 CE MET A 88 4.646 14.530 8.115 1.00 10.00 C ATOM 0 H MET A 88 5.073 16.265 4.104 1.00 10.00 H new ATOM 0 HA MET A 88 4.345 13.686 2.953 1.00 10.00 H new ATOM 0 HB2 MET A 88 3.570 15.129 5.504 1.00 10.00 H new ATOM 0 HB3 MET A 88 3.071 13.503 5.080 1.00 10.00 H new ATOM 0 HG2 MET A 88 5.523 12.890 4.847 1.00 10.00 H new ATOM 0 HG3 MET A 88 5.929 14.482 5.458 1.00 10.00 H new ATOM 0 HE1 MET A 88 4.661 14.317 9.184 1.00 10.00 H new ATOM 0 HE2 MET A 88 5.343 15.339 7.896 1.00 10.00 H new ATOM 0 HE3 MET A 88 3.640 14.827 7.818 1.00 10.00 H new ATOM 1244 N VAL A 89 1.928 14.117 2.246 1.00 10.00 N ATOM 1245 CA VAL A 89 0.728 14.422 1.482 1.00 10.00 C ATOM 1246 C VAL A 89 -0.316 13.326 1.699 1.00 10.00 C ATOM 1247 O VAL A 89 0.042 12.241 2.156 1.00 10.00 O ATOM 1248 CB VAL A 89 1.090 14.541 -0.016 1.00 10.00 C ATOM 1249 CG1 VAL A 89 1.810 15.859 -0.310 1.00 10.00 C ATOM 1250 CG2 VAL A 89 1.959 13.375 -0.511 1.00 10.00 C ATOM 0 H VAL A 89 2.159 13.124 2.259 1.00 10.00 H new ATOM 0 HA VAL A 89 0.308 15.370 1.819 1.00 10.00 H new ATOM 0 HB VAL A 89 0.142 14.511 -0.553 1.00 10.00 H new ATOM 0 HG11 VAL A 89 2.051 15.913 -1.372 1.00 10.00 H new ATOM 0 HG12 VAL A 89 1.163 16.695 -0.042 1.00 10.00 H new ATOM 0 HG13 VAL A 89 2.729 15.910 0.274 1.00 10.00 H new ATOM 0 HG21 VAL A 89 2.182 13.511 -1.569 1.00 10.00 H new ATOM 0 HG22 VAL A 89 2.890 13.349 0.056 1.00 10.00 H new ATOM 0 HG23 VAL A 89 1.423 12.437 -0.371 1.00 10.00 H new ATOM 1260 N PRO A 90 -1.588 13.574 1.329 1.00 10.00 N ATOM 1261 CA PRO A 90 -2.550 12.514 1.061 1.00 10.00 C ATOM 1262 C PRO A 90 -1.903 11.404 0.231 1.00 10.00 C ATOM 1263 O PRO A 90 -1.920 10.259 0.665 1.00 10.00 O ATOM 1264 CB PRO A 90 -3.759 13.181 0.395 1.00 10.00 C ATOM 1265 CG PRO A 90 -3.244 14.546 -0.062 1.00 10.00 C ATOM 1266 CD PRO A 90 -2.154 14.864 0.956 1.00 10.00 C ATOM 0 HA PRO A 90 -2.888 12.014 1.969 1.00 10.00 H new ATOM 0 HB2 PRO A 90 -4.122 12.592 -0.447 1.00 10.00 H new ATOM 0 HB3 PRO A 90 -4.589 13.284 1.094 1.00 10.00 H new ATOM 0 HG2 PRO A 90 -2.849 14.508 -1.077 1.00 10.00 H new ATOM 0 HG3 PRO A 90 -4.033 15.298 -0.055 1.00 10.00 H new ATOM 0 HD2 PRO A 90 -1.394 15.518 0.528 1.00 10.00 H new ATOM 0 HD3 PRO A 90 -2.565 15.379 1.824 1.00 10.00 H new ATOM 1274 N TRP A 91 -1.313 11.751 -0.920 1.00 10.00 N ATOM 1275 CA TRP A 91 -0.676 10.866 -1.882 1.00 10.00 C ATOM 1276 C TRP A 91 -0.246 11.691 -3.093 1.00 10.00 C ATOM 1277 O TRP A 91 -0.038 12.900 -2.981 1.00 10.00 O ATOM 1278 CB TRP A 91 -1.633 9.752 -2.313 1.00 10.00 C ATOM 1279 CG TRP A 91 -2.815 10.095 -3.160 1.00 10.00 C ATOM 1280 CD1 TRP A 91 -3.451 9.161 -3.880 1.00 10.00 C ATOM 1281 CD2 TRP A 91 -3.645 11.294 -3.258 1.00 10.00 C ATOM 1282 NE1 TRP A 91 -4.728 9.584 -4.141 1.00 10.00 N ATOM 1283 CE2 TRP A 91 -4.920 10.883 -3.729 1.00 10.00 C ATOM 1284 CE3 TRP A 91 -3.492 12.672 -2.993 1.00 10.00 C ATOM 1285 CZ2 TRP A 91 -6.026 11.735 -3.720 1.00 10.00 C ATOM 1286 CZ3 TRP A 91 -4.572 13.568 -3.108 1.00 10.00 C ATOM 1287 CH2 TRP A 91 -5.855 13.091 -3.413 1.00 10.00 C ATOM 0 H TRP A 91 -1.269 12.726 -1.216 1.00 10.00 H new ATOM 0 HA TRP A 91 0.194 10.397 -1.422 1.00 10.00 H new ATOM 0 HB2 TRP A 91 -1.048 9.007 -2.852 1.00 10.00 H new ATOM 0 HB3 TRP A 91 -2.006 9.271 -1.409 1.00 10.00 H new ATOM 0 HD1 TRP A 91 -3.025 8.223 -4.204 1.00 10.00 H new ATOM 0 HE1 TRP A 91 -5.445 9.009 -4.584 1.00 10.00 H new ATOM 0 HE3 TRP A 91 -2.524 13.048 -2.695 1.00 10.00 H new ATOM 0 HZ2 TRP A 91 -7.009 11.350 -3.949 1.00 10.00 H new ATOM 0 HZ3 TRP A 91 -4.412 14.626 -2.961 1.00 10.00 H new ATOM 0 HH2 TRP A 91 -6.702 13.762 -3.411 1.00 10.00 H new ATOM 1298 N LEU A 92 -0.241 11.049 -4.259 1.00 10.00 N ATOM 1299 CA LEU A 92 -0.257 11.655 -5.569 1.00 10.00 C ATOM 1300 C LEU A 92 -1.072 10.714 -6.461 1.00 10.00 C ATOM 1301 O LEU A 92 -1.259 9.546 -6.118 1.00 10.00 O ATOM 1302 CB LEU A 92 1.175 11.942 -6.053 1.00 10.00 C ATOM 1303 CG LEU A 92 2.085 10.747 -6.400 1.00 10.00 C ATOM 1304 CD1 LEU A 92 2.139 9.636 -5.345 1.00 10.00 C ATOM 1305 CD2 LEU A 92 1.783 10.169 -7.787 1.00 10.00 C ATOM 0 H LEU A 92 -0.225 10.030 -4.307 1.00 10.00 H new ATOM 0 HA LEU A 92 -0.731 12.636 -5.581 1.00 10.00 H new ATOM 0 HB2 LEU A 92 1.106 12.575 -6.938 1.00 10.00 H new ATOM 0 HB3 LEU A 92 1.675 12.527 -5.281 1.00 10.00 H new ATOM 0 HG LEU A 92 3.085 11.181 -6.411 1.00 10.00 H new ATOM 0 HD11 LEU A 92 2.806 8.843 -5.685 1.00 10.00 H new ATOM 0 HD12 LEU A 92 2.511 10.044 -4.405 1.00 10.00 H new ATOM 0 HD13 LEU A 92 1.139 9.229 -5.194 1.00 10.00 H new ATOM 0 HD21 LEU A 92 2.450 9.330 -7.985 1.00 10.00 H new ATOM 0 HD22 LEU A 92 0.749 9.826 -7.821 1.00 10.00 H new ATOM 0 HD23 LEU A 92 1.935 10.939 -8.543 1.00 10.00 H new ATOM 1317 N THR A 93 -1.609 11.227 -7.567 1.00 10.00 N ATOM 1318 CA THR A 93 -2.377 10.449 -8.532 1.00 10.00 C ATOM 1319 C THR A 93 -1.454 10.051 -9.677 1.00 10.00 C ATOM 1320 O THR A 93 -0.861 10.931 -10.295 1.00 10.00 O ATOM 1321 CB THR A 93 -3.569 11.295 -9.008 1.00 10.00 C ATOM 1322 OG1 THR A 93 -4.460 11.458 -7.920 1.00 10.00 O ATOM 1323 CG2 THR A 93 -4.331 10.687 -10.192 1.00 10.00 C ATOM 0 H THR A 93 -1.520 12.211 -7.820 1.00 10.00 H new ATOM 0 HA THR A 93 -2.773 9.536 -8.089 1.00 10.00 H new ATOM 0 HB THR A 93 -3.168 12.246 -9.358 1.00 10.00 H new ATOM 0 HG1 THR A 93 -5.227 11.997 -8.204 1.00 10.00 H new ATOM 0 HG21 THR A 93 -5.157 11.343 -10.468 1.00 10.00 H new ATOM 0 HG22 THR A 93 -3.656 10.576 -11.041 1.00 10.00 H new ATOM 0 HG23 THR A 93 -4.723 9.710 -9.909 1.00 10.00 H new ATOM 1331 N ILE A 94 -1.345 8.750 -9.979 1.00 10.00 N ATOM 1332 CA ILE A 94 -0.628 8.301 -11.162 1.00 10.00 C ATOM 1333 C ILE A 94 -1.677 8.242 -12.272 1.00 10.00 C ATOM 1334 O ILE A 94 -2.709 7.591 -12.094 1.00 10.00 O ATOM 1335 CB ILE A 94 0.110 6.966 -10.916 1.00 10.00 C ATOM 1336 CG1 ILE A 94 -0.808 5.738 -10.804 1.00 10.00 C ATOM 1337 CG2 ILE A 94 0.927 7.081 -9.620 1.00 10.00 C ATOM 1338 CD1 ILE A 94 -0.965 4.982 -12.127 1.00 10.00 C ATOM 0 H ILE A 94 -1.746 7.999 -9.417 1.00 10.00 H new ATOM 0 HA ILE A 94 0.176 8.981 -11.444 1.00 10.00 H new ATOM 0 HB ILE A 94 0.738 6.804 -11.792 1.00 10.00 H new ATOM 0 HG12 ILE A 94 -0.407 5.060 -10.050 1.00 10.00 H new ATOM 0 HG13 ILE A 94 -1.790 6.057 -10.456 1.00 10.00 H new ATOM 0 HG21 ILE A 94 1.452 6.144 -9.437 1.00 10.00 H new ATOM 0 HG22 ILE A 94 1.651 7.890 -9.717 1.00 10.00 H new ATOM 0 HG23 ILE A 94 0.258 7.291 -8.786 1.00 10.00 H new ATOM 0 HD11 ILE A 94 -1.624 4.126 -11.981 1.00 10.00 H new ATOM 0 HD12 ILE A 94 -1.393 5.647 -12.877 1.00 10.00 H new ATOM 0 HD13 ILE A 94 0.011 4.634 -12.465 1.00 10.00 H new ATOM 1350 N PRO A 95 -1.505 8.966 -13.381 1.00 10.00 N ATOM 1351 CA PRO A 95 -2.466 8.898 -14.453 1.00 10.00 C ATOM 1352 C PRO A 95 -2.194 7.654 -15.295 1.00 10.00 C ATOM 1353 O PRO A 95 -1.039 7.280 -15.503 1.00 10.00 O ATOM 1354 CB PRO A 95 -2.243 10.162 -15.268 1.00 10.00 C ATOM 1355 CG PRO A 95 -0.743 10.420 -15.103 1.00 10.00 C ATOM 1356 CD PRO A 95 -0.452 9.924 -13.682 1.00 10.00 C ATOM 0 HA PRO A 95 -3.494 8.832 -14.097 1.00 10.00 H new ATOM 0 HB2 PRO A 95 -2.515 10.021 -16.314 1.00 10.00 H new ATOM 0 HB3 PRO A 95 -2.839 10.994 -14.893 1.00 10.00 H new ATOM 0 HG2 PRO A 95 -0.158 9.878 -15.846 1.00 10.00 H new ATOM 0 HG3 PRO A 95 -0.502 11.477 -15.217 1.00 10.00 H new ATOM 0 HD2 PRO A 95 0.531 9.458 -13.623 1.00 10.00 H new ATOM 0 HD3 PRO A 95 -0.457 10.749 -12.970 1.00 10.00 H new ATOM 1364 N ALA A 96 -3.265 7.057 -15.820 1.00 10.00 N ATOM 1365 CA ALA A 96 -3.201 6.038 -16.851 1.00 10.00 C ATOM 1366 C ALA A 96 -2.161 4.946 -16.538 1.00 10.00 C ATOM 1367 O ALA A 96 -1.997 4.517 -15.393 1.00 10.00 O ATOM 1368 CB ALA A 96 -2.992 6.741 -18.202 1.00 10.00 C ATOM 0 H ALA A 96 -4.218 7.278 -15.530 1.00 10.00 H new ATOM 0 HA ALA A 96 -4.140 5.486 -16.894 1.00 10.00 H new ATOM 0 HB1 ALA A 96 -2.940 5.996 -18.996 1.00 10.00 H new ATOM 0 HB2 ALA A 96 -3.825 7.417 -18.393 1.00 10.00 H new ATOM 0 HB3 ALA A 96 -2.062 7.309 -18.177 1.00 10.00 H new ATOM 1374 N ARG A 97 -1.420 4.537 -17.565 1.00 10.00 N ATOM 1375 CA ARG A 97 -0.350 3.548 -17.555 1.00 10.00 C ATOM 1376 C ARG A 97 0.890 3.957 -16.738 1.00 10.00 C ATOM 1377 O ARG A 97 2.014 3.629 -17.119 1.00 10.00 O ATOM 1378 CB ARG A 97 0.061 3.348 -19.013 1.00 10.00 C ATOM 1379 CG ARG A 97 0.548 4.692 -19.595 1.00 10.00 C ATOM 1380 CD ARG A 97 1.270 4.455 -20.905 1.00 10.00 C ATOM 1381 NE ARG A 97 0.295 3.939 -21.877 1.00 10.00 N ATOM 1382 CZ ARG A 97 0.544 3.306 -23.027 1.00 10.00 C ATOM 1383 NH1 ARG A 97 1.798 3.244 -23.487 1.00 10.00 N ATOM 1384 NH2 ARG A 97 -0.460 2.738 -23.699 1.00 10.00 N ATOM 0 H ARG A 97 -1.566 4.920 -18.499 1.00 10.00 H new ATOM 0 HA ARG A 97 -0.727 2.644 -17.077 1.00 10.00 H new ATOM 0 HB2 ARG A 97 0.852 2.601 -19.081 1.00 10.00 H new ATOM 0 HB3 ARG A 97 -0.782 2.972 -19.592 1.00 10.00 H new ATOM 0 HG2 ARG A 97 -0.300 5.359 -19.752 1.00 10.00 H new ATOM 0 HG3 ARG A 97 1.214 5.185 -18.887 1.00 10.00 H new ATOM 0 HD2 ARG A 97 1.715 5.382 -21.267 1.00 10.00 H new ATOM 0 HD3 ARG A 97 2.084 3.743 -20.768 1.00 10.00 H new ATOM 0 HE ARG A 97 -0.688 4.081 -21.646 1.00 10.00 H new ATOM 0 HH11 ARG A 97 2.556 3.678 -22.961 1.00 10.00 H new ATOM 0 HH12 ARG A 97 1.996 2.763 -24.364 1.00 10.00 H new ATOM 0 HH21 ARG A 97 -1.411 2.789 -23.334 1.00 10.00 H new ATOM 0 HH22 ARG A 97 -0.276 2.253 -24.577 1.00 10.00 H new ATOM 1398 N GLY A 98 0.727 4.709 -15.654 1.00 10.00 N ATOM 1399 CA GLY A 98 1.842 5.309 -14.960 1.00 10.00 C ATOM 1400 C GLY A 98 2.849 4.279 -14.438 1.00 10.00 C ATOM 1401 O GLY A 98 2.513 3.131 -14.138 1.00 10.00 O ATOM 0 H GLY A 98 -0.182 4.914 -15.239 1.00 10.00 H new ATOM 0 HA2 GLY A 98 2.352 5.999 -15.632 1.00 10.00 H new ATOM 0 HA3 GLY A 98 1.467 5.898 -14.123 1.00 10.00 H new ATOM 1405 N THR A 99 4.106 4.716 -14.358 1.00 10.00 N ATOM 1406 CA THR A 99 5.260 3.885 -14.053 1.00 10.00 C ATOM 1407 C THR A 99 6.088 4.587 -12.968 1.00 10.00 C ATOM 1408 O THR A 99 7.244 4.965 -13.152 1.00 10.00 O ATOM 1409 CB THR A 99 5.998 3.555 -15.361 1.00 10.00 C ATOM 1410 OG1 THR A 99 7.069 2.663 -15.130 1.00 10.00 O ATOM 1411 CG2 THR A 99 6.486 4.803 -16.101 1.00 10.00 C ATOM 0 H THR A 99 4.352 5.694 -14.510 1.00 10.00 H new ATOM 0 HA THR A 99 4.991 2.916 -13.632 1.00 10.00 H new ATOM 0 HB THR A 99 5.269 3.068 -16.009 1.00 10.00 H new ATOM 0 HG1 THR A 99 7.521 2.468 -15.977 1.00 10.00 H new ATOM 0 HG21 THR A 99 6.999 4.506 -17.016 1.00 10.00 H new ATOM 0 HG22 THR A 99 5.633 5.434 -16.351 1.00 10.00 H new ATOM 0 HG23 THR A 99 7.174 5.358 -15.463 1.00 10.00 H new ATOM 1419 N LEU A 100 5.478 4.787 -11.801 1.00 10.00 N ATOM 1420 CA LEU A 100 6.100 5.515 -10.717 1.00 10.00 C ATOM 1421 C LEU A 100 7.051 4.549 -10.004 1.00 10.00 C ATOM 1422 O LEU A 100 6.837 3.336 -9.993 1.00 10.00 O ATOM 1423 CB LEU A 100 4.981 6.041 -9.805 1.00 10.00 C ATOM 1424 CG LEU A 100 5.485 6.606 -8.475 1.00 10.00 C ATOM 1425 CD1 LEU A 100 6.285 7.888 -8.683 1.00 10.00 C ATOM 1426 CD2 LEU A 100 4.309 6.887 -7.537 1.00 10.00 C ATOM 0 H LEU A 100 4.540 4.446 -11.589 1.00 10.00 H new ATOM 0 HA LEU A 100 6.682 6.373 -11.053 1.00 10.00 H new ATOM 0 HB2 LEU A 100 4.429 6.818 -10.334 1.00 10.00 H new ATOM 0 HB3 LEU A 100 4.279 5.232 -9.603 1.00 10.00 H new ATOM 0 HG LEU A 100 6.140 5.858 -8.027 1.00 10.00 H new ATOM 0 HD11 LEU A 100 6.628 8.263 -7.719 1.00 10.00 H new ATOM 0 HD12 LEU A 100 7.146 7.681 -9.319 1.00 10.00 H new ATOM 0 HD13 LEU A 100 5.654 8.638 -9.160 1.00 10.00 H new ATOM 0 HD21 LEU A 100 4.683 7.288 -6.595 1.00 10.00 H new ATOM 0 HD22 LEU A 100 3.639 7.612 -8.000 1.00 10.00 H new ATOM 0 HD23 LEU A 100 3.766 5.961 -7.347 1.00 10.00 H new ATOM 1438 N THR A 101 8.143 5.086 -9.456 1.00 10.00 N ATOM 1439 CA THR A 101 9.223 4.318 -8.871 1.00 10.00 C ATOM 1440 C THR A 101 9.572 5.007 -7.556 1.00 10.00 C ATOM 1441 O THR A 101 10.148 6.094 -7.553 1.00 10.00 O ATOM 1442 CB THR A 101 10.399 4.232 -9.856 1.00 10.00 C ATOM 1443 OG1 THR A 101 9.938 3.768 -11.111 1.00 10.00 O ATOM 1444 CG2 THR A 101 11.461 3.239 -9.375 1.00 10.00 C ATOM 0 H THR A 101 8.296 6.093 -9.410 1.00 10.00 H new ATOM 0 HA THR A 101 8.945 3.284 -8.667 1.00 10.00 H new ATOM 0 HB THR A 101 10.830 5.230 -9.930 1.00 10.00 H new ATOM 0 HG1 THR A 101 10.690 3.716 -11.737 1.00 10.00 H new ATOM 0 HG21 THR A 101 12.278 3.203 -10.095 1.00 10.00 H new ATOM 0 HG22 THR A 101 11.845 3.558 -8.406 1.00 10.00 H new ATOM 0 HG23 THR A 101 11.017 2.248 -9.281 1.00 10.00 H new ATOM 1452 N LEU A 102 9.199 4.365 -6.453 1.00 10.00 N ATOM 1453 CA LEU A 102 9.336 4.862 -5.100 1.00 10.00 C ATOM 1454 C LEU A 102 10.799 4.620 -4.743 1.00 10.00 C ATOM 1455 O LEU A 102 11.242 3.472 -4.722 1.00 10.00 O ATOM 1456 CB LEU A 102 8.400 4.060 -4.173 1.00 10.00 C ATOM 1457 CG LEU A 102 6.895 4.389 -4.248 1.00 10.00 C ATOM 1458 CD1 LEU A 102 6.384 4.732 -5.646 1.00 10.00 C ATOM 1459 CD2 LEU A 102 6.078 3.201 -3.737 1.00 10.00 C ATOM 0 H LEU A 102 8.773 3.439 -6.487 1.00 10.00 H new ATOM 0 HA LEU A 102 9.071 5.914 -4.998 1.00 10.00 H new ATOM 0 HB2 LEU A 102 8.527 3.001 -4.396 1.00 10.00 H new ATOM 0 HB3 LEU A 102 8.730 4.211 -3.145 1.00 10.00 H new ATOM 0 HG LEU A 102 6.771 5.278 -3.630 1.00 10.00 H new ATOM 0 HD11 LEU A 102 5.317 4.949 -5.600 1.00 10.00 H new ATOM 0 HD12 LEU A 102 6.916 5.605 -6.024 1.00 10.00 H new ATOM 0 HD13 LEU A 102 6.554 3.887 -6.313 1.00 10.00 H new ATOM 0 HD21 LEU A 102 5.016 3.439 -3.792 1.00 10.00 H new ATOM 0 HD22 LEU A 102 6.286 2.325 -4.352 1.00 10.00 H new ATOM 0 HD23 LEU A 102 6.349 2.991 -2.702 1.00 10.00 H new ATOM 1471 N GLN A 103 11.562 5.697 -4.543 1.00 10.00 N ATOM 1472 CA GLN A 103 13.009 5.682 -4.367 1.00 10.00 C ATOM 1473 C GLN A 103 13.392 6.520 -3.148 1.00 10.00 C ATOM 1474 O GLN A 103 12.606 7.352 -2.695 1.00 10.00 O ATOM 1475 CB GLN A 103 13.679 6.250 -5.622 1.00 10.00 C ATOM 1476 CG GLN A 103 13.511 5.320 -6.826 1.00 10.00 C ATOM 1477 CD GLN A 103 13.703 6.085 -8.127 1.00 10.00 C ATOM 1478 OE1 GLN A 103 14.774 6.060 -8.722 1.00 10.00 O ATOM 1479 NE2 GLN A 103 12.664 6.783 -8.573 1.00 10.00 N ATOM 0 H GLN A 103 11.170 6.638 -4.498 1.00 10.00 H new ATOM 0 HA GLN A 103 13.345 4.657 -4.210 1.00 10.00 H new ATOM 0 HB2 GLN A 103 13.250 7.225 -5.853 1.00 10.00 H new ATOM 0 HB3 GLN A 103 14.740 6.406 -5.429 1.00 10.00 H new ATOM 0 HG2 GLN A 103 14.234 4.506 -6.767 1.00 10.00 H new ATOM 0 HG3 GLN A 103 12.519 4.868 -6.807 1.00 10.00 H new ATOM 0 HE21 GLN A 103 11.787 6.781 -8.052 1.00 10.00 H new ATOM 0 HE22 GLN A 103 12.743 7.320 -9.436 1.00 10.00 H new ATOM 1488 N ARG A 104 14.600 6.257 -2.628 1.00 10.00 N ATOM 1489 CA ARG A 104 15.174 6.808 -1.397 1.00 10.00 C ATOM 1490 C ARG A 104 14.584 8.166 -1.000 1.00 10.00 C ATOM 1491 O ARG A 104 13.913 8.264 0.035 1.00 10.00 O ATOM 1492 CB ARG A 104 16.717 6.794 -1.422 1.00 10.00 C ATOM 1493 CG ARG A 104 17.311 5.858 -0.349 1.00 10.00 C ATOM 1494 CD ARG A 104 17.448 6.485 1.051 1.00 10.00 C ATOM 1495 NE ARG A 104 16.215 7.122 1.537 1.00 10.00 N ATOM 1496 CZ ARG A 104 16.183 8.195 2.342 1.00 10.00 C ATOM 1497 NH1 ARG A 104 17.214 8.474 3.142 1.00 10.00 N ATOM 1498 NH2 ARG A 104 15.114 8.996 2.319 1.00 10.00 N ATOM 0 H ARG A 104 15.242 5.611 -3.088 1.00 10.00 H new ATOM 0 HA ARG A 104 14.874 6.135 -0.594 1.00 10.00 H new ATOM 0 HB2 ARG A 104 17.059 6.477 -2.407 1.00 10.00 H new ATOM 0 HB3 ARG A 104 17.090 7.806 -1.265 1.00 10.00 H new ATOM 0 HG2 ARG A 104 16.683 4.970 -0.274 1.00 10.00 H new ATOM 0 HG3 ARG A 104 18.295 5.526 -0.681 1.00 10.00 H new ATOM 0 HD2 ARG A 104 17.750 5.712 1.758 1.00 10.00 H new ATOM 0 HD3 ARG A 104 18.246 7.227 1.030 1.00 10.00 H new ATOM 0 HE ARG A 104 15.324 6.721 1.242 1.00 10.00 H new ATOM 0 HH11 ARG A 104 18.035 7.869 3.145 1.00 10.00 H new ATOM 0 HH12 ARG A 104 17.181 9.292 3.750 1.00 10.00 H new ATOM 0 HH21 ARG A 104 14.335 8.789 1.694 1.00 10.00 H new ATOM 0 HH22 ARG A 104 15.077 9.815 2.926 1.00 10.00 H new ATOM 1512 N ASP A 105 14.826 9.180 -1.833 1.00 10.00 N ATOM 1513 CA ASP A 105 14.097 10.440 -1.852 1.00 10.00 C ATOM 1514 C ASP A 105 13.565 10.609 -3.276 1.00 10.00 C ATOM 1515 O ASP A 105 14.191 11.245 -4.120 1.00 10.00 O ATOM 1516 CB ASP A 105 15.010 11.595 -1.424 1.00 10.00 C ATOM 1517 CG ASP A 105 14.300 12.948 -1.428 1.00 10.00 C ATOM 1518 OD1 ASP A 105 13.117 13.003 -1.836 1.00 10.00 O ATOM 1519 OD2 ASP A 105 14.954 13.912 -0.981 1.00 10.00 O ATOM 0 H ASP A 105 15.563 9.140 -2.537 1.00 10.00 H new ATOM 0 HA ASP A 105 13.268 10.442 -1.144 1.00 10.00 H new ATOM 0 HB2 ASP A 105 15.395 11.396 -0.424 1.00 10.00 H new ATOM 0 HB3 ASP A 105 15.869 11.639 -2.093 1.00 10.00 H new ATOM 1524 N GLY A 106 12.453 9.933 -3.562 1.00 10.00 N ATOM 1525 CA GLY A 106 11.848 9.897 -4.873 1.00 10.00 C ATOM 1526 C GLY A 106 10.435 9.364 -4.746 1.00 10.00 C ATOM 1527 O GLY A 106 10.233 8.162 -4.872 1.00 10.00 O ATOM 0 H GLY A 106 11.944 9.387 -2.867 1.00 10.00 H new ATOM 0 HA2 GLY A 106 11.837 10.895 -5.311 1.00 10.00 H new ATOM 0 HA3 GLY A 106 12.432 9.263 -5.540 1.00 10.00 H new ATOM 1531 N ASP A 107 9.490 10.273 -4.472 1.00 10.00 N ATOM 1532 CA ASP A 107 8.044 10.048 -4.494 1.00 10.00 C ATOM 1533 C ASP A 107 7.662 8.700 -3.892 1.00 10.00 C ATOM 1534 O ASP A 107 7.402 7.720 -4.585 1.00 10.00 O ATOM 1535 CB ASP A 107 7.551 10.299 -5.921 1.00 10.00 C ATOM 1536 CG ASP A 107 6.038 10.296 -6.087 1.00 10.00 C ATOM 1537 OD1 ASP A 107 5.353 10.142 -5.057 1.00 10.00 O ATOM 1538 OD2 ASP A 107 5.601 10.503 -7.243 1.00 10.00 O ATOM 0 H ASP A 107 9.728 11.231 -4.217 1.00 10.00 H new ATOM 0 HA ASP A 107 7.527 10.753 -3.843 1.00 10.00 H new ATOM 0 HB2 ASP A 107 7.937 11.261 -6.259 1.00 10.00 H new ATOM 0 HB3 ASP A 107 7.975 9.537 -6.575 1.00 10.00 H new ATOM 1543 N HIS A 108 7.749 8.672 -2.560 1.00 10.00 N ATOM 1544 CA HIS A 108 7.975 7.478 -1.777 1.00 10.00 C ATOM 1545 C HIS A 108 6.968 7.381 -0.627 1.00 10.00 C ATOM 1546 O HIS A 108 6.215 8.316 -0.358 1.00 10.00 O ATOM 1547 CB HIS A 108 9.423 7.512 -1.273 1.00 10.00 C ATOM 1548 CG HIS A 108 9.757 8.699 -0.396 1.00 10.00 C ATOM 1549 ND1 HIS A 108 10.184 9.941 -0.816 1.00 10.00 N ATOM 1550 CD2 HIS A 108 9.797 8.692 0.972 1.00 10.00 C ATOM 1551 CE1 HIS A 108 10.533 10.633 0.282 1.00 10.00 C ATOM 1552 NE2 HIS A 108 10.270 9.939 1.406 1.00 10.00 N ATOM 0 H HIS A 108 7.660 9.512 -1.989 1.00 10.00 H new ATOM 0 HA HIS A 108 7.827 6.587 -2.387 1.00 10.00 H new ATOM 0 HB2 HIS A 108 9.621 6.597 -0.714 1.00 10.00 H new ATOM 0 HB3 HIS A 108 10.093 7.512 -2.133 1.00 10.00 H new ATOM 0 HD2 HIS A 108 9.513 7.867 1.609 1.00 10.00 H new ATOM 0 HE1 HIS A 108 10.969 11.621 0.265 1.00 10.00 H new ATOM 0 HE2 HIS A 108 10.390 10.254 2.369 1.00 10.00 H new ATOM 1560 N VAL A 109 6.983 6.241 0.062 1.00 10.00 N ATOM 1561 CA VAL A 109 6.041 5.869 1.110 1.00 10.00 C ATOM 1562 C VAL A 109 6.803 5.723 2.424 1.00 10.00 C ATOM 1563 O VAL A 109 7.548 4.758 2.592 1.00 10.00 O ATOM 1564 CB VAL A 109 5.336 4.550 0.735 1.00 10.00 C ATOM 1565 CG1 VAL A 109 4.071 4.831 -0.071 1.00 10.00 C ATOM 1566 CG2 VAL A 109 6.227 3.621 -0.097 1.00 10.00 C ATOM 0 H VAL A 109 7.685 5.520 -0.105 1.00 10.00 H new ATOM 0 HA VAL A 109 5.278 6.640 1.222 1.00 10.00 H new ATOM 0 HB VAL A 109 5.097 4.057 1.677 1.00 10.00 H new ATOM 0 HG11 VAL A 109 3.586 3.889 -0.327 1.00 10.00 H new ATOM 0 HG12 VAL A 109 3.389 5.440 0.522 1.00 10.00 H new ATOM 0 HG13 VAL A 109 4.333 5.365 -0.985 1.00 10.00 H new ATOM 0 HG21 VAL A 109 5.681 2.708 -0.333 1.00 10.00 H new ATOM 0 HG22 VAL A 109 6.512 4.122 -1.022 1.00 10.00 H new ATOM 0 HG23 VAL A 109 7.123 3.371 0.471 1.00 10.00 H new ATOM 1576 N MET A 110 6.614 6.666 3.351 1.00 10.00 N ATOM 1577 CA MET A 110 7.225 6.627 4.666 1.00 10.00 C ATOM 1578 C MET A 110 6.398 5.748 5.590 1.00 10.00 C ATOM 1579 O MET A 110 5.443 6.201 6.215 1.00 10.00 O ATOM 1580 CB MET A 110 7.377 8.024 5.271 1.00 10.00 C ATOM 1581 CG MET A 110 8.194 8.940 4.369 1.00 10.00 C ATOM 1582 SD MET A 110 8.997 10.313 5.228 1.00 10.00 S ATOM 1583 CE MET A 110 10.385 9.453 6.008 1.00 10.00 C ATOM 0 H MET A 110 6.024 7.484 3.200 1.00 10.00 H new ATOM 0 HA MET A 110 8.225 6.209 4.554 1.00 10.00 H new ATOM 0 HB2 MET A 110 6.391 8.459 5.435 1.00 10.00 H new ATOM 0 HB3 MET A 110 7.859 7.948 6.246 1.00 10.00 H new ATOM 0 HG2 MET A 110 8.957 8.347 3.865 1.00 10.00 H new ATOM 0 HG3 MET A 110 7.541 9.344 3.595 1.00 10.00 H new ATOM 0 HE1 MET A 110 10.321 9.566 7.090 1.00 10.00 H new ATOM 0 HE2 MET A 110 10.348 8.394 5.751 1.00 10.00 H new ATOM 0 HE3 MET A 110 11.323 9.880 5.653 1.00 10.00 H new ATOM 1593 N LEU A 111 6.809 4.493 5.715 1.00 10.00 N ATOM 1594 CA LEU A 111 6.257 3.546 6.661 1.00 10.00 C ATOM 1595 C LEU A 111 6.904 3.841 8.008 1.00 10.00 C ATOM 1596 O LEU A 111 7.732 3.078 8.500 1.00 10.00 O ATOM 1597 CB LEU A 111 6.599 2.146 6.154 1.00 10.00 C ATOM 1598 CG LEU A 111 5.738 1.812 4.931 1.00 10.00 C ATOM 1599 CD1 LEU A 111 6.587 1.049 3.923 1.00 10.00 C ATOM 1600 CD2 LEU A 111 4.536 0.976 5.367 1.00 10.00 C ATOM 0 H LEU A 111 7.556 4.100 5.143 1.00 10.00 H new ATOM 0 HA LEU A 111 5.175 3.618 6.767 1.00 10.00 H new ATOM 0 HB2 LEU A 111 7.656 2.092 5.892 1.00 10.00 H new ATOM 0 HB3 LEU A 111 6.428 1.412 6.942 1.00 10.00 H new ATOM 0 HG LEU A 111 5.371 2.727 4.466 1.00 10.00 H new ATOM 0 HD11 LEU A 111 5.983 0.806 3.048 1.00 10.00 H new ATOM 0 HD12 LEU A 111 7.434 1.665 3.620 1.00 10.00 H new ATOM 0 HD13 LEU A 111 6.953 0.129 4.378 1.00 10.00 H new ATOM 0 HD21 LEU A 111 3.923 0.738 4.497 1.00 10.00 H new ATOM 0 HD22 LEU A 111 4.884 0.052 5.829 1.00 10.00 H new ATOM 0 HD23 LEU A 111 3.942 1.540 6.086 1.00 10.00 H new ATOM 1612 N MET A 112 6.534 4.979 8.592 1.00 10.00 N ATOM 1613 CA MET A 112 7.231 5.520 9.741 1.00 10.00 C ATOM 1614 C MET A 112 6.733 4.764 10.978 1.00 10.00 C ATOM 1615 O MET A 112 5.718 4.055 10.951 1.00 10.00 O ATOM 1616 CB MET A 112 6.974 7.044 9.788 1.00 10.00 C ATOM 1617 CG MET A 112 8.119 7.928 10.308 1.00 10.00 C ATOM 1618 SD MET A 112 8.478 7.950 12.086 1.00 10.00 S ATOM 1619 CE MET A 112 6.925 8.561 12.774 1.00 10.00 C ATOM 0 H MET A 112 5.745 5.545 8.278 1.00 10.00 H new ATOM 0 HA MET A 112 8.312 5.388 9.692 1.00 10.00 H new ATOM 0 HB2 MET A 112 6.720 7.376 8.781 1.00 10.00 H new ATOM 0 HB3 MET A 112 6.099 7.221 10.413 1.00 10.00 H new ATOM 0 HG2 MET A 112 9.030 7.623 9.793 1.00 10.00 H new ATOM 0 HG3 MET A 112 7.908 8.953 10.003 1.00 10.00 H new ATOM 0 HE1 MET A 112 7.098 8.941 13.781 1.00 10.00 H new ATOM 0 HE2 MET A 112 6.539 9.363 12.145 1.00 10.00 H new ATOM 0 HE3 MET A 112 6.199 7.749 12.812 1.00 10.00 H new ATOM 1629 N GLY A 113 7.461 4.892 12.080 1.00 10.00 N ATOM 1630 CA GLY A 113 7.043 4.319 13.339 1.00 10.00 C ATOM 1631 C GLY A 113 7.240 2.805 13.324 1.00 10.00 C ATOM 1632 O GLY A 113 6.333 2.075 13.719 1.00 10.00 O ATOM 0 H GLY A 113 8.349 5.392 12.120 1.00 10.00 H new ATOM 0 HA2 GLY A 113 7.617 4.759 14.155 1.00 10.00 H new ATOM 0 HA3 GLY A 113 5.995 4.554 13.523 1.00 10.00 H new ATOM 1636 N LEU A 114 8.400 2.311 12.872 1.00 10.00 N ATOM 1637 CA LEU A 114 8.691 0.882 12.961 1.00 10.00 C ATOM 1638 C LEU A 114 8.545 0.437 14.413 1.00 10.00 C ATOM 1639 O LEU A 114 9.069 1.108 15.309 1.00 10.00 O ATOM 1640 CB LEU A 114 10.074 0.525 12.404 1.00 10.00 C ATOM 1641 CG LEU A 114 10.259 0.817 10.906 1.00 10.00 C ATOM 1642 CD1 LEU A 114 11.707 0.484 10.519 1.00 10.00 C ATOM 1643 CD2 LEU A 114 9.302 -0.009 10.043 1.00 10.00 C ATOM 0 H LEU A 114 9.139 2.872 12.448 1.00 10.00 H new ATOM 0 HA LEU A 114 7.974 0.347 12.338 1.00 10.00 H new ATOM 0 HB2 LEU A 114 10.829 1.077 12.964 1.00 10.00 H new ATOM 0 HB3 LEU A 114 10.258 -0.535 12.579 1.00 10.00 H new ATOM 0 HG LEU A 114 10.039 1.870 10.730 1.00 10.00 H new ATOM 0 HD11 LEU A 114 11.856 0.686 9.458 1.00 10.00 H new ATOM 0 HD12 LEU A 114 12.391 1.099 11.104 1.00 10.00 H new ATOM 0 HD13 LEU A 114 11.904 -0.569 10.719 1.00 10.00 H new ATOM 0 HD21 LEU A 114 9.465 0.227 8.991 1.00 10.00 H new ATOM 0 HD22 LEU A 114 9.486 -1.070 10.210 1.00 10.00 H new ATOM 0 HD23 LEU A 114 8.273 0.228 10.313 1.00 10.00 H new ATOM 1655 N LYS A 115 7.796 -0.649 14.647 1.00 10.00 N ATOM 1656 CA LYS A 115 7.534 -1.135 15.994 1.00 10.00 C ATOM 1657 C LYS A 115 8.860 -1.338 16.731 1.00 10.00 C ATOM 1658 O LYS A 115 9.155 -0.572 17.646 1.00 10.00 O ATOM 1659 CB LYS A 115 6.691 -2.423 15.991 1.00 10.00 C ATOM 1660 CG LYS A 115 5.170 -2.197 15.893 1.00 10.00 C ATOM 1661 CD LYS A 115 4.626 -2.292 14.461 1.00 10.00 C ATOM 1662 CE LYS A 115 3.089 -2.345 14.447 1.00 10.00 C ATOM 1663 NZ LYS A 115 2.482 -1.009 14.290 1.00 10.00 N ATOM 0 H LYS A 115 7.362 -1.206 13.911 1.00 10.00 H new ATOM 0 HA LYS A 115 6.945 -0.384 16.521 1.00 10.00 H new ATOM 0 HB2 LYS A 115 7.007 -3.046 15.154 1.00 10.00 H new ATOM 0 HB3 LYS A 115 6.904 -2.982 16.902 1.00 10.00 H new ATOM 0 HG2 LYS A 115 4.661 -2.933 16.516 1.00 10.00 H new ATOM 0 HG3 LYS A 115 4.930 -1.215 16.300 1.00 10.00 H new ATOM 0 HD2 LYS A 115 4.967 -1.433 13.883 1.00 10.00 H new ATOM 0 HD3 LYS A 115 5.027 -3.182 13.976 1.00 10.00 H new ATOM 0 HE2 LYS A 115 2.758 -2.990 13.633 1.00 10.00 H new ATOM 0 HE3 LYS A 115 2.735 -2.795 15.374 1.00 10.00 H new ATOM 0 HZ1 LYS A 115 1.537 -1.004 14.725 1.00 10.00 H new ATOM 0 HZ2 LYS A 115 3.082 -0.298 14.756 1.00 10.00 H new ATOM 0 HZ3 LYS A 115 2.398 -0.782 13.278 1.00 10.00 H new ATOM 1677 N ARG A 116 9.645 -2.338 16.312 1.00 10.00 N ATOM 1678 CA ARG A 116 10.974 -2.651 16.847 1.00 10.00 C ATOM 1679 C ARG A 116 11.565 -3.946 16.263 1.00 10.00 C ATOM 1680 O ARG A 116 12.621 -3.879 15.638 1.00 10.00 O ATOM 1681 CB ARG A 116 11.020 -2.674 18.393 1.00 10.00 C ATOM 1682 CG ARG A 116 11.846 -1.506 18.952 1.00 10.00 C ATOM 1683 CD ARG A 116 11.774 -1.483 20.484 1.00 10.00 C ATOM 1684 NE ARG A 116 12.611 -0.406 21.038 1.00 10.00 N ATOM 1685 CZ ARG A 116 12.689 -0.086 22.341 1.00 10.00 C ATOM 1686 NH1 ARG A 116 11.968 -0.768 23.239 1.00 10.00 N ATOM 1687 NH2 ARG A 116 13.484 0.913 22.740 1.00 10.00 N ATOM 0 H ARG A 116 9.362 -2.973 15.565 1.00 10.00 H new ATOM 0 HA ARG A 116 11.606 -1.826 16.520 1.00 10.00 H new ATOM 0 HB2 ARG A 116 10.005 -2.625 18.788 1.00 10.00 H new ATOM 0 HB3 ARG A 116 11.448 -3.618 18.731 1.00 10.00 H new ATOM 0 HG2 ARG A 116 12.884 -1.601 18.632 1.00 10.00 H new ATOM 0 HG3 ARG A 116 11.473 -0.564 18.550 1.00 10.00 H new ATOM 0 HD2 ARG A 116 10.740 -1.344 20.800 1.00 10.00 H new ATOM 0 HD3 ARG A 116 12.102 -2.444 20.881 1.00 10.00 H new ATOM 0 HE ARG A 116 13.174 0.138 20.384 1.00 10.00 H new ATOM 0 HH11 ARG A 116 11.361 -1.529 22.934 1.00 10.00 H new ATOM 0 HH12 ARG A 116 12.026 -0.527 24.228 1.00 10.00 H new ATOM 0 HH21 ARG A 116 14.032 1.433 22.055 1.00 10.00 H new ATOM 0 HH22 ARG A 116 13.542 1.155 23.729 1.00 10.00 H new ATOM 1701 N PRO A 117 10.961 -5.128 16.489 1.00 10.00 N ATOM 1702 CA PRO A 117 11.663 -6.407 16.368 1.00 10.00 C ATOM 1703 C PRO A 117 11.725 -6.916 14.919 1.00 10.00 C ATOM 1704 O PRO A 117 11.412 -8.078 14.645 1.00 10.00 O ATOM 1705 CB PRO A 117 10.889 -7.351 17.297 1.00 10.00 C ATOM 1706 CG PRO A 117 9.455 -6.845 17.161 1.00 10.00 C ATOM 1707 CD PRO A 117 9.649 -5.330 17.091 1.00 10.00 C ATOM 0 HA PRO A 117 12.712 -6.326 16.651 1.00 10.00 H new ATOM 0 HB2 PRO A 117 10.983 -8.392 16.988 1.00 10.00 H new ATOM 0 HB3 PRO A 117 11.245 -7.290 18.325 1.00 10.00 H new ATOM 0 HG2 PRO A 117 8.970 -7.235 16.266 1.00 10.00 H new ATOM 0 HG3 PRO A 117 8.838 -7.137 18.011 1.00 10.00 H new ATOM 0 HD2 PRO A 117 8.867 -4.862 16.492 1.00 10.00 H new ATOM 0 HD3 PRO A 117 9.601 -4.883 18.084 1.00 10.00 H new ATOM 1715 N LEU A 118 12.154 -6.055 13.996 1.00 10.00 N ATOM 1716 CA LEU A 118 12.285 -6.370 12.581 1.00 10.00 C ATOM 1717 C LEU A 118 13.736 -6.668 12.233 1.00 10.00 C ATOM 1718 O LEU A 118 14.650 -6.280 12.960 1.00 10.00 O ATOM 1719 CB LEU A 118 11.721 -5.229 11.742 1.00 10.00 C ATOM 1720 CG LEU A 118 12.523 -3.932 11.929 1.00 10.00 C ATOM 1721 CD1 LEU A 118 13.238 -3.581 10.624 1.00 10.00 C ATOM 1722 CD2 LEU A 118 11.589 -2.807 12.373 1.00 10.00 C ATOM 0 H LEU A 118 12.425 -5.098 14.221 1.00 10.00 H new ATOM 0 HA LEU A 118 11.709 -7.267 12.356 1.00 10.00 H new ATOM 0 HB2 LEU A 118 11.730 -5.513 10.690 1.00 10.00 H new ATOM 0 HB3 LEU A 118 10.681 -5.056 12.017 1.00 10.00 H new ATOM 0 HG LEU A 118 13.277 -4.070 12.704 1.00 10.00 H new ATOM 0 HD11 LEU A 118 13.807 -2.661 10.757 1.00 10.00 H new ATOM 0 HD12 LEU A 118 13.915 -4.390 10.351 1.00 10.00 H new ATOM 0 HD13 LEU A 118 12.502 -3.441 9.832 1.00 10.00 H new ATOM 0 HD21 LEU A 118 12.162 -1.889 12.504 1.00 10.00 H new ATOM 0 HD22 LEU A 118 10.822 -2.650 11.615 1.00 10.00 H new ATOM 0 HD23 LEU A 118 11.116 -3.078 13.317 1.00 10.00 H new ATOM 1734 N LYS A 119 13.931 -7.408 11.145 1.00 10.00 N ATOM 1735 CA LYS A 119 15.223 -7.922 10.732 1.00 10.00 C ATOM 1736 C LYS A 119 15.596 -7.252 9.416 1.00 10.00 C ATOM 1737 O LYS A 119 14.784 -6.565 8.799 1.00 10.00 O ATOM 1738 CB LYS A 119 15.162 -9.454 10.548 1.00 10.00 C ATOM 1739 CG LYS A 119 14.951 -10.315 11.808 1.00 10.00 C ATOM 1740 CD LYS A 119 13.704 -9.901 12.603 1.00 10.00 C ATOM 1741 CE LYS A 119 12.930 -11.010 13.320 1.00 10.00 C ATOM 1742 NZ LYS A 119 11.539 -10.567 13.567 1.00 10.00 N ATOM 0 H LYS A 119 13.173 -7.670 10.514 1.00 10.00 H new ATOM 0 HA LYS A 119 15.971 -7.706 11.495 1.00 10.00 H new ATOM 0 HB2 LYS A 119 14.355 -9.677 9.850 1.00 10.00 H new ATOM 0 HB3 LYS A 119 16.091 -9.773 10.075 1.00 10.00 H new ATOM 0 HG2 LYS A 119 14.861 -11.362 11.518 1.00 10.00 H new ATOM 0 HG3 LYS A 119 15.829 -10.236 12.449 1.00 10.00 H new ATOM 0 HD2 LYS A 119 14.007 -9.165 13.348 1.00 10.00 H new ATOM 0 HD3 LYS A 119 13.019 -9.399 11.920 1.00 10.00 H new ATOM 0 HE2 LYS A 119 12.931 -11.917 12.716 1.00 10.00 H new ATOM 0 HE3 LYS A 119 13.417 -11.255 14.264 1.00 10.00 H new ATOM 0 HZ1 LYS A 119 11.132 -11.121 14.347 1.00 10.00 H new ATOM 0 HZ2 LYS A 119 11.536 -9.558 13.820 1.00 10.00 H new ATOM 0 HZ3 LYS A 119 10.971 -10.710 12.708 1.00 10.00 H new ATOM 1756 N VAL A 120 16.831 -7.487 8.981 1.00 10.00 N ATOM 1757 CA VAL A 120 17.251 -7.227 7.621 1.00 10.00 C ATOM 1758 C VAL A 120 17.107 -8.551 6.868 1.00 10.00 C ATOM 1759 O VAL A 120 17.577 -9.581 7.347 1.00 10.00 O ATOM 1760 CB VAL A 120 18.680 -6.645 7.605 1.00 10.00 C ATOM 1761 CG1 VAL A 120 19.721 -7.519 8.322 1.00 10.00 C ATOM 1762 CG2 VAL A 120 19.161 -6.377 6.173 1.00 10.00 C ATOM 0 H VAL A 120 17.569 -7.867 9.573 1.00 10.00 H new ATOM 0 HA VAL A 120 16.639 -6.472 7.127 1.00 10.00 H new ATOM 0 HB VAL A 120 18.601 -5.709 8.159 1.00 10.00 H new ATOM 0 HG11 VAL A 120 20.699 -7.040 8.266 1.00 10.00 H new ATOM 0 HG12 VAL A 120 19.436 -7.641 9.367 1.00 10.00 H new ATOM 0 HG13 VAL A 120 19.768 -8.497 7.842 1.00 10.00 H new ATOM 0 HG21 VAL A 120 20.171 -5.968 6.199 1.00 10.00 H new ATOM 0 HG22 VAL A 120 19.162 -7.310 5.609 1.00 10.00 H new ATOM 0 HG23 VAL A 120 18.492 -5.663 5.692 1.00 10.00 H new ATOM 1772 N GLY A 121 16.417 -8.547 5.728 1.00 10.00 N ATOM 1773 CA GLY A 121 16.112 -9.759 4.991 1.00 10.00 C ATOM 1774 C GLY A 121 14.945 -10.516 5.618 1.00 10.00 C ATOM 1775 O GLY A 121 14.897 -11.740 5.542 1.00 10.00 O ATOM 0 H GLY A 121 16.056 -7.698 5.294 1.00 10.00 H new ATOM 0 HA2 GLY A 121 15.871 -9.507 3.958 1.00 10.00 H new ATOM 0 HA3 GLY A 121 16.992 -10.402 4.965 1.00 10.00 H new ATOM 1779 N GLU A 122 13.984 -9.789 6.201 1.00 10.00 N ATOM 1780 CA GLU A 122 12.721 -10.373 6.615 1.00 10.00 C ATOM 1781 C GLU A 122 11.779 -10.385 5.418 1.00 10.00 C ATOM 1782 O GLU A 122 12.136 -10.033 4.291 1.00 10.00 O ATOM 1783 CB GLU A 122 12.118 -9.565 7.775 1.00 10.00 C ATOM 1784 CG GLU A 122 11.538 -10.413 8.917 1.00 10.00 C ATOM 1785 CD GLU A 122 11.203 -9.562 10.136 1.00 10.00 C ATOM 1786 OE1 GLU A 122 11.583 -8.370 10.136 1.00 10.00 O ATOM 1787 OE2 GLU A 122 10.669 -10.138 11.110 1.00 10.00 O ATOM 0 H GLU A 122 14.067 -8.791 6.394 1.00 10.00 H new ATOM 0 HA GLU A 122 12.877 -11.393 6.966 1.00 10.00 H new ATOM 0 HB2 GLU A 122 12.888 -8.910 8.182 1.00 10.00 H new ATOM 0 HB3 GLU A 122 11.330 -8.923 7.381 1.00 10.00 H new ATOM 0 HG2 GLU A 122 10.639 -10.923 8.571 1.00 10.00 H new ATOM 0 HG3 GLU A 122 12.255 -11.185 9.198 1.00 10.00 H new ATOM 1794 N THR A 123 10.542 -10.754 5.702 1.00 10.00 N ATOM 1795 CA THR A 123 9.402 -10.692 4.800 1.00 10.00 C ATOM 1796 C THR A 123 8.144 -10.620 5.656 1.00 10.00 C ATOM 1797 O THR A 123 7.951 -11.463 6.528 1.00 10.00 O ATOM 1798 CB THR A 123 9.389 -11.876 3.819 1.00 10.00 C ATOM 1799 OG1 THR A 123 10.483 -11.775 2.927 1.00 10.00 O ATOM 1800 CG2 THR A 123 8.118 -11.890 2.960 1.00 10.00 C ATOM 0 H THR A 123 10.291 -11.126 6.618 1.00 10.00 H new ATOM 0 HA THR A 123 9.461 -9.805 4.170 1.00 10.00 H new ATOM 0 HB THR A 123 9.440 -12.783 4.421 1.00 10.00 H new ATOM 0 HG1 THR A 123 11.087 -11.065 3.229 1.00 10.00 H new ATOM 0 HG21 THR A 123 8.148 -12.742 2.280 1.00 10.00 H new ATOM 0 HG22 THR A 123 7.243 -11.971 3.606 1.00 10.00 H new ATOM 0 HG23 THR A 123 8.059 -10.967 2.383 1.00 10.00 H new ATOM 1808 N VAL A 124 7.320 -9.595 5.431 1.00 10.00 N ATOM 1809 CA VAL A 124 6.094 -9.341 6.167 1.00 10.00 C ATOM 1810 C VAL A 124 5.044 -8.899 5.146 1.00 10.00 C ATOM 1811 O VAL A 124 5.386 -8.367 4.090 1.00 10.00 O ATOM 1812 CB VAL A 124 6.352 -8.276 7.254 1.00 10.00 C ATOM 1813 CG1 VAL A 124 5.105 -8.034 8.116 1.00 10.00 C ATOM 1814 CG2 VAL A 124 7.502 -8.703 8.179 1.00 10.00 C ATOM 0 H VAL A 124 7.499 -8.900 4.706 1.00 10.00 H new ATOM 0 HA VAL A 124 5.735 -10.230 6.686 1.00 10.00 H new ATOM 0 HB VAL A 124 6.614 -7.356 6.732 1.00 10.00 H new ATOM 0 HG11 VAL A 124 5.325 -7.278 8.870 1.00 10.00 H new ATOM 0 HG12 VAL A 124 4.287 -7.688 7.484 1.00 10.00 H new ATOM 0 HG13 VAL A 124 4.816 -8.963 8.607 1.00 10.00 H new ATOM 0 HG21 VAL A 124 7.664 -7.936 8.936 1.00 10.00 H new ATOM 0 HG22 VAL A 124 7.247 -9.645 8.665 1.00 10.00 H new ATOM 0 HG23 VAL A 124 8.412 -8.832 7.593 1.00 10.00 H new ATOM 1824 N ASN A 125 3.765 -9.141 5.432 1.00 10.00 N ATOM 1825 CA ASN A 125 2.695 -8.688 4.554 1.00 10.00 C ATOM 1826 C ASN A 125 2.579 -7.170 4.649 1.00 10.00 C ATOM 1827 O ASN A 125 2.521 -6.619 5.750 1.00 10.00 O ATOM 1828 CB ASN A 125 1.359 -9.339 4.935 1.00 10.00 C ATOM 1829 CG ASN A 125 1.362 -10.840 4.667 1.00 10.00 C ATOM 1830 OD1 ASN A 125 1.466 -11.273 3.525 1.00 10.00 O ATOM 1831 ND2 ASN A 125 1.257 -11.656 5.713 1.00 10.00 N ATOM 0 H ASN A 125 3.449 -9.645 6.260 1.00 10.00 H new ATOM 0 HA ASN A 125 2.933 -8.979 3.531 1.00 10.00 H new ATOM 0 HB2 ASN A 125 1.155 -9.159 5.991 1.00 10.00 H new ATOM 0 HB3 ASN A 125 0.553 -8.871 4.370 1.00 10.00 H new ATOM 0 HD21 ASN A 125 1.262 -12.666 5.574 1.00 10.00 H new ATOM 0 HD22 ASN A 125 1.172 -11.271 6.654 1.00 10.00 H new ATOM 1838 N ILE A 126 2.510 -6.497 3.503 1.00 10.00 N ATOM 1839 CA ILE A 126 1.900 -5.186 3.402 1.00 10.00 C ATOM 1840 C ILE A 126 0.413 -5.428 3.159 1.00 10.00 C ATOM 1841 O ILE A 126 0.044 -6.450 2.582 1.00 10.00 O ATOM 1842 CB ILE A 126 2.587 -4.358 2.285 1.00 10.00 C ATOM 1843 CG1 ILE A 126 3.287 -3.133 2.895 1.00 10.00 C ATOM 1844 CG2 ILE A 126 1.642 -3.922 1.154 1.00 10.00 C ATOM 1845 CD1 ILE A 126 4.015 -2.292 1.844 1.00 10.00 C ATOM 0 H ILE A 126 2.878 -6.851 2.620 1.00 10.00 H new ATOM 0 HA ILE A 126 2.024 -4.594 4.309 1.00 10.00 H new ATOM 0 HB ILE A 126 3.318 -5.021 1.822 1.00 10.00 H new ATOM 0 HG12 ILE A 126 2.549 -2.513 3.405 1.00 10.00 H new ATOM 0 HG13 ILE A 126 4.001 -3.464 3.649 1.00 10.00 H new ATOM 0 HG21 ILE A 126 2.200 -3.348 0.414 1.00 10.00 H new ATOM 0 HG22 ILE A 126 1.211 -4.804 0.680 1.00 10.00 H new ATOM 0 HG23 ILE A 126 0.843 -3.304 1.565 1.00 10.00 H new ATOM 0 HD11 ILE A 126 4.492 -1.439 2.327 1.00 10.00 H new ATOM 0 HD12 ILE A 126 4.773 -2.901 1.352 1.00 10.00 H new ATOM 0 HD13 ILE A 126 3.299 -1.935 1.104 1.00 10.00 H new ATOM 1857 N THR A 127 -0.424 -4.469 3.548 1.00 10.00 N ATOM 1858 CA THR A 127 -1.754 -4.330 2.995 1.00 10.00 C ATOM 1859 C THR A 127 -1.908 -2.874 2.578 1.00 10.00 C ATOM 1860 O THR A 127 -1.625 -1.970 3.364 1.00 10.00 O ATOM 1861 CB THR A 127 -2.843 -4.771 3.983 1.00 10.00 C ATOM 1862 OG1 THR A 127 -2.473 -5.979 4.619 1.00 10.00 O ATOM 1863 CG2 THR A 127 -4.158 -5.001 3.226 1.00 10.00 C ATOM 0 H THR A 127 -0.193 -3.771 4.255 1.00 10.00 H new ATOM 0 HA THR A 127 -1.878 -4.986 2.134 1.00 10.00 H new ATOM 0 HB THR A 127 -2.967 -3.989 4.733 1.00 10.00 H new ATOM 0 HG1 THR A 127 -3.176 -6.247 5.247 1.00 10.00 H new ATOM 0 HG21 THR A 127 -4.932 -5.314 3.927 1.00 10.00 H new ATOM 0 HG22 THR A 127 -4.464 -4.075 2.738 1.00 10.00 H new ATOM 0 HG23 THR A 127 -4.014 -5.777 2.474 1.00 10.00 H new ATOM 1871 N LEU A 128 -2.326 -2.645 1.337 1.00 10.00 N ATOM 1872 CA LEU A 128 -2.659 -1.329 0.829 1.00 10.00 C ATOM 1873 C LEU A 128 -4.151 -1.300 0.520 1.00 10.00 C ATOM 1874 O LEU A 128 -4.781 -2.348 0.372 1.00 10.00 O ATOM 1875 CB LEU A 128 -1.743 -0.922 -0.336 1.00 10.00 C ATOM 1876 CG LEU A 128 -1.389 -2.010 -1.363 1.00 10.00 C ATOM 1877 CD1 LEU A 128 -2.570 -2.294 -2.286 1.00 10.00 C ATOM 1878 CD2 LEU A 128 -0.211 -1.529 -2.216 1.00 10.00 C ATOM 0 H LEU A 128 -2.443 -3.387 0.647 1.00 10.00 H new ATOM 0 HA LEU A 128 -2.470 -0.561 1.580 1.00 10.00 H new ATOM 0 HB2 LEU A 128 -2.218 -0.097 -0.867 1.00 10.00 H new ATOM 0 HB3 LEU A 128 -0.813 -0.538 0.083 1.00 10.00 H new ATOM 0 HG LEU A 128 -1.132 -2.922 -0.824 1.00 10.00 H new ATOM 0 HD11 LEU A 128 -2.294 -3.067 -3.003 1.00 10.00 H new ATOM 0 HD12 LEU A 128 -3.420 -2.634 -1.695 1.00 10.00 H new ATOM 0 HD13 LEU A 128 -2.841 -1.384 -2.821 1.00 10.00 H new ATOM 0 HD21 LEU A 128 0.046 -2.296 -2.947 1.00 10.00 H new ATOM 0 HD22 LEU A 128 -0.488 -0.611 -2.735 1.00 10.00 H new ATOM 0 HD23 LEU A 128 0.649 -1.337 -1.574 1.00 10.00 H new ATOM 1890 N LYS A 129 -4.711 -0.090 0.520 1.00 10.00 N ATOM 1891 CA LYS A 129 -6.142 0.160 0.476 1.00 10.00 C ATOM 1892 C LYS A 129 -6.341 1.462 -0.290 1.00 10.00 C ATOM 1893 O LYS A 129 -6.706 2.491 0.271 1.00 10.00 O ATOM 1894 CB LYS A 129 -6.706 0.162 1.911 1.00 10.00 C ATOM 1895 CG LYS A 129 -8.201 -0.186 2.002 1.00 10.00 C ATOM 1896 CD LYS A 129 -9.129 0.961 1.585 1.00 10.00 C ATOM 1897 CE LYS A 129 -10.595 0.515 1.691 1.00 10.00 C ATOM 1898 NZ LYS A 129 -11.548 1.601 1.387 1.00 10.00 N ATOM 0 H LYS A 129 -4.159 0.767 0.552 1.00 10.00 H new ATOM 0 HA LYS A 129 -6.698 -0.619 -0.046 1.00 10.00 H new ATOM 0 HB2 LYS A 129 -6.141 -0.551 2.512 1.00 10.00 H new ATOM 0 HB3 LYS A 129 -6.546 1.147 2.351 1.00 10.00 H new ATOM 0 HG2 LYS A 129 -8.402 -1.052 1.371 1.00 10.00 H new ATOM 0 HG3 LYS A 129 -8.435 -0.477 3.026 1.00 10.00 H new ATOM 0 HD2 LYS A 129 -8.957 1.829 2.222 1.00 10.00 H new ATOM 0 HD3 LYS A 129 -8.906 1.267 0.563 1.00 10.00 H new ATOM 0 HE2 LYS A 129 -10.768 -0.315 1.006 1.00 10.00 H new ATOM 0 HE3 LYS A 129 -10.785 0.143 2.698 1.00 10.00 H new ATOM 0 HZ1 LYS A 129 -12.496 1.200 1.240 1.00 10.00 H new ATOM 0 HZ2 LYS A 129 -11.575 2.272 2.181 1.00 10.00 H new ATOM 0 HZ3 LYS A 129 -11.245 2.097 0.525 1.00 10.00 H new ATOM 1912 N ALA A 130 -6.071 1.418 -1.595 1.00 10.00 N ATOM 1913 CA ALA A 130 -6.151 2.604 -2.423 1.00 10.00 C ATOM 1914 C ALA A 130 -7.598 2.845 -2.787 1.00 10.00 C ATOM 1915 O ALA A 130 -8.191 2.029 -3.491 1.00 10.00 O ATOM 1916 CB ALA A 130 -5.397 2.414 -3.725 1.00 10.00 C ATOM 0 H ALA A 130 -5.796 0.572 -2.093 1.00 10.00 H new ATOM 0 HA ALA A 130 -5.722 3.435 -1.864 1.00 10.00 H new ATOM 0 HB1 ALA A 130 -5.475 3.320 -4.326 1.00 10.00 H new ATOM 0 HB2 ALA A 130 -4.348 2.209 -3.511 1.00 10.00 H new ATOM 0 HB3 ALA A 130 -5.826 1.576 -4.275 1.00 10.00 H new ATOM 1922 N THR A 131 -8.135 3.981 -2.356 1.00 10.00 N ATOM 1923 CA THR A 131 -9.551 4.301 -2.360 1.00 10.00 C ATOM 1924 C THR A 131 -10.365 3.073 -1.932 1.00 10.00 C ATOM 1925 O THR A 131 -10.401 2.745 -0.748 1.00 10.00 O ATOM 1926 CB THR A 131 -9.948 4.902 -3.720 1.00 10.00 C ATOM 1927 OG1 THR A 131 -9.723 3.993 -4.783 1.00 10.00 O ATOM 1928 CG2 THR A 131 -9.163 6.186 -4.009 1.00 10.00 C ATOM 0 H THR A 131 -7.565 4.737 -1.977 1.00 10.00 H new ATOM 0 HA THR A 131 -9.779 5.072 -1.624 1.00 10.00 H new ATOM 0 HB THR A 131 -11.013 5.125 -3.657 1.00 10.00 H new ATOM 0 HG1 THR A 131 -9.158 3.256 -4.469 1.00 10.00 H new ATOM 0 HG21 THR A 131 -9.465 6.587 -4.976 1.00 10.00 H new ATOM 0 HG22 THR A 131 -9.369 6.921 -3.231 1.00 10.00 H new ATOM 0 HG23 THR A 131 -8.096 5.964 -4.025 1.00 10.00 H new ATOM 1936 N ASP A 132 -10.922 2.368 -2.915 1.00 10.00 N ATOM 1937 CA ASP A 132 -11.582 1.068 -2.808 1.00 10.00 C ATOM 1938 C ASP A 132 -11.365 0.333 -4.135 1.00 10.00 C ATOM 1939 O ASP A 132 -12.270 -0.271 -4.704 1.00 10.00 O ATOM 1940 CB ASP A 132 -13.071 1.231 -2.450 1.00 10.00 C ATOM 1941 CG ASP A 132 -13.253 1.445 -0.960 1.00 10.00 C ATOM 1942 OD1 ASP A 132 -13.225 0.445 -0.209 1.00 10.00 O ATOM 1943 OD2 ASP A 132 -13.257 2.611 -0.515 1.00 10.00 O ATOM 0 H ASP A 132 -10.924 2.714 -3.874 1.00 10.00 H new ATOM 0 HA ASP A 132 -11.154 0.477 -1.998 1.00 10.00 H new ATOM 0 HB2 ASP A 132 -13.489 2.077 -2.996 1.00 10.00 H new ATOM 0 HB3 ASP A 132 -13.623 0.345 -2.764 1.00 10.00 H new ATOM 1948 N GLY A 133 -10.132 0.429 -4.637 1.00 10.00 N ATOM 1949 CA GLY A 133 -9.698 -0.039 -5.940 1.00 10.00 C ATOM 1950 C GLY A 133 -8.525 -1.001 -5.789 1.00 10.00 C ATOM 1951 O GLY A 133 -8.525 -2.071 -6.402 1.00 10.00 O ATOM 0 H GLY A 133 -9.373 0.861 -4.110 1.00 10.00 H new ATOM 0 HA2 GLY A 133 -10.523 -0.537 -6.449 1.00 10.00 H new ATOM 0 HA3 GLY A 133 -9.406 0.808 -6.560 1.00 10.00 H new ATOM 1955 N ARG A 134 -7.506 -0.635 -4.998 1.00 10.00 N ATOM 1956 CA ARG A 134 -6.414 -1.539 -4.629 1.00 10.00 C ATOM 1957 C ARG A 134 -6.469 -1.781 -3.124 1.00 10.00 C ATOM 1958 O ARG A 134 -5.632 -1.277 -2.379 1.00 10.00 O ATOM 1959 CB ARG A 134 -5.027 -1.028 -5.070 1.00 10.00 C ATOM 1960 CG ARG A 134 -4.860 -0.665 -6.556 1.00 10.00 C ATOM 1961 CD ARG A 134 -4.819 -1.881 -7.495 1.00 10.00 C ATOM 1962 NE ARG A 134 -6.141 -2.509 -7.586 1.00 10.00 N ATOM 1963 CZ ARG A 134 -6.446 -3.730 -8.040 1.00 10.00 C ATOM 1964 NH1 ARG A 134 -5.520 -4.482 -8.642 1.00 10.00 N ATOM 1965 NH2 ARG A 134 -7.694 -4.170 -7.864 1.00 10.00 N ATOM 0 H ARG A 134 -7.418 0.299 -4.597 1.00 10.00 H new ATOM 0 HA ARG A 134 -6.554 -2.479 -5.163 1.00 10.00 H new ATOM 0 HB2 ARG A 134 -4.785 -0.147 -4.476 1.00 10.00 H new ATOM 0 HB3 ARG A 134 -4.289 -1.791 -4.822 1.00 10.00 H new ATOM 0 HG2 ARG A 134 -5.682 -0.015 -6.855 1.00 10.00 H new ATOM 0 HG3 ARG A 134 -3.940 -0.093 -6.679 1.00 10.00 H new ATOM 0 HD2 ARG A 134 -4.489 -1.570 -8.486 1.00 10.00 H new ATOM 0 HD3 ARG A 134 -4.091 -2.605 -7.129 1.00 10.00 H new ATOM 0 HE ARG A 134 -6.926 -1.944 -7.263 1.00 10.00 H new ATOM 0 HH11 ARG A 134 -4.571 -4.126 -8.759 1.00 10.00 H new ATOM 0 HH12 ARG A 134 -5.762 -5.412 -8.985 1.00 10.00 H new ATOM 0 HH21 ARG A 134 -8.381 -3.580 -7.395 1.00 10.00 H new ATOM 0 HH22 ARG A 134 -7.960 -5.096 -8.198 1.00 10.00 H new ATOM 1979 N THR A 135 -7.457 -2.568 -2.704 1.00 10.00 N ATOM 1980 CA THR A 135 -7.474 -3.255 -1.424 1.00 10.00 C ATOM 1981 C THR A 135 -6.733 -4.570 -1.650 1.00 10.00 C ATOM 1982 O THR A 135 -7.285 -5.471 -2.277 1.00 10.00 O ATOM 1983 CB THR A 135 -8.930 -3.455 -0.978 1.00 10.00 C ATOM 1984 OG1 THR A 135 -9.569 -2.192 -0.927 1.00 10.00 O ATOM 1985 CG2 THR A 135 -9.013 -4.109 0.405 1.00 10.00 C ATOM 0 H THR A 135 -8.290 -2.748 -3.265 1.00 10.00 H new ATOM 0 HA THR A 135 -6.987 -2.694 -0.626 1.00 10.00 H new ATOM 0 HB THR A 135 -9.420 -4.113 -1.695 1.00 10.00 H new ATOM 0 HG1 THR A 135 -10.500 -2.308 -0.645 1.00 10.00 H new ATOM 0 HG21 THR A 135 -10.059 -4.234 0.686 1.00 10.00 H new ATOM 0 HG22 THR A 135 -8.526 -5.084 0.376 1.00 10.00 H new ATOM 0 HG23 THR A 135 -8.514 -3.475 1.138 1.00 10.00 H new ATOM 1993 N LEU A 136 -5.464 -4.650 -1.239 1.00 10.00 N ATOM 1994 CA LEU A 136 -4.562 -5.717 -1.664 1.00 10.00 C ATOM 1995 C LEU A 136 -3.453 -5.922 -0.636 1.00 10.00 C ATOM 1996 O LEU A 136 -3.246 -5.067 0.219 1.00 10.00 O ATOM 1997 CB LEU A 136 -3.969 -5.364 -3.036 1.00 10.00 C ATOM 1998 CG LEU A 136 -4.546 -6.201 -4.187 1.00 10.00 C ATOM 1999 CD1 LEU A 136 -4.137 -5.557 -5.514 1.00 10.00 C ATOM 2000 CD2 LEU A 136 -4.030 -7.644 -4.147 1.00 10.00 C ATOM 0 H LEU A 136 -5.036 -3.977 -0.603 1.00 10.00 H new ATOM 0 HA LEU A 136 -5.121 -6.649 -1.744 1.00 10.00 H new ATOM 0 HB2 LEU A 136 -4.148 -4.308 -3.240 1.00 10.00 H new ATOM 0 HB3 LEU A 136 -2.888 -5.503 -3.002 1.00 10.00 H new ATOM 0 HG LEU A 136 -5.631 -6.228 -4.086 1.00 10.00 H new ATOM 0 HD11 LEU A 136 -4.540 -6.141 -6.341 1.00 10.00 H new ATOM 0 HD12 LEU A 136 -4.530 -4.541 -5.562 1.00 10.00 H new ATOM 0 HD13 LEU A 136 -3.050 -5.529 -5.585 1.00 10.00 H new ATOM 0 HD21 LEU A 136 -4.459 -8.207 -4.976 1.00 10.00 H new ATOM 0 HD22 LEU A 136 -2.943 -7.644 -4.232 1.00 10.00 H new ATOM 0 HD23 LEU A 136 -4.320 -8.108 -3.204 1.00 10.00 H new ATOM 2012 N ASN A 137 -2.756 -7.059 -0.730 1.00 10.00 N ATOM 2013 CA ASN A 137 -1.969 -7.688 0.323 1.00 10.00 C ATOM 2014 C ASN A 137 -0.600 -8.077 -0.226 1.00 10.00 C ATOM 2015 O ASN A 137 -0.267 -9.253 -0.350 1.00 10.00 O ATOM 2016 CB ASN A 137 -2.716 -8.921 0.853 1.00 10.00 C ATOM 2017 CG ASN A 137 -2.989 -9.984 -0.215 1.00 10.00 C ATOM 2018 OD1 ASN A 137 -3.220 -9.664 -1.380 1.00 10.00 O ATOM 2019 ND2 ASN A 137 -2.989 -11.257 0.168 1.00 10.00 N ATOM 0 H ASN A 137 -2.728 -7.593 -1.598 1.00 10.00 H new ATOM 0 HA ASN A 137 -1.825 -6.989 1.147 1.00 10.00 H new ATOM 0 HB2 ASN A 137 -2.133 -9.369 1.658 1.00 10.00 H new ATOM 0 HB3 ASN A 137 -3.664 -8.602 1.285 1.00 10.00 H new ATOM 0 HD21 ASN A 137 -3.183 -11.994 -0.510 1.00 10.00 H new ATOM 0 HD22 ASN A 137 -2.794 -11.497 1.140 1.00 10.00 H new ATOM 2026 N VAL A 138 0.192 -7.077 -0.597 1.00 10.00 N ATOM 2027 CA VAL A 138 1.442 -7.297 -1.303 1.00 10.00 C ATOM 2028 C VAL A 138 2.526 -7.662 -0.284 1.00 10.00 C ATOM 2029 O VAL A 138 2.481 -7.202 0.852 1.00 10.00 O ATOM 2030 CB VAL A 138 1.797 -6.015 -2.077 1.00 10.00 C ATOM 2031 CG1 VAL A 138 3.083 -6.164 -2.901 1.00 10.00 C ATOM 2032 CG2 VAL A 138 0.662 -5.552 -2.995 1.00 10.00 C ATOM 0 H VAL A 138 -0.016 -6.095 -0.416 1.00 10.00 H new ATOM 0 HA VAL A 138 1.357 -8.117 -2.016 1.00 10.00 H new ATOM 0 HB VAL A 138 1.959 -5.256 -1.311 1.00 10.00 H new ATOM 0 HG11 VAL A 138 3.288 -5.232 -3.427 1.00 10.00 H new ATOM 0 HG12 VAL A 138 3.916 -6.397 -2.237 1.00 10.00 H new ATOM 0 HG13 VAL A 138 2.960 -6.970 -3.625 1.00 10.00 H new ATOM 0 HG21 VAL A 138 0.964 -4.644 -3.517 1.00 10.00 H new ATOM 0 HG22 VAL A 138 0.441 -6.333 -3.723 1.00 10.00 H new ATOM 0 HG23 VAL A 138 -0.228 -5.349 -2.399 1.00 10.00 H new ATOM 2042 N ALA A 139 3.517 -8.473 -0.662 1.00 10.00 N ATOM 2043 CA ALA A 139 4.578 -8.862 0.256 1.00 10.00 C ATOM 2044 C ALA A 139 5.635 -7.758 0.317 1.00 10.00 C ATOM 2045 O ALA A 139 6.005 -7.199 -0.718 1.00 10.00 O ATOM 2046 CB ALA A 139 5.200 -10.182 -0.209 1.00 10.00 C ATOM 0 H ALA A 139 3.602 -8.870 -1.598 1.00 10.00 H new ATOM 0 HA ALA A 139 4.166 -9.004 1.255 1.00 10.00 H new ATOM 0 HB1 ALA A 139 5.994 -10.472 0.479 1.00 10.00 H new ATOM 0 HB2 ALA A 139 4.435 -10.958 -0.228 1.00 10.00 H new ATOM 0 HB3 ALA A 139 5.614 -10.056 -1.209 1.00 10.00 H new ATOM 2052 N ALA A 140 6.112 -7.451 1.528 1.00 10.00 N ATOM 2053 CA ALA A 140 7.187 -6.507 1.782 1.00 10.00 C ATOM 2054 C ALA A 140 8.392 -7.242 2.362 1.00 10.00 C ATOM 2055 O ALA A 140 8.276 -7.829 3.436 1.00 10.00 O ATOM 2056 CB ALA A 140 6.706 -5.425 2.752 1.00 10.00 C ATOM 0 H ALA A 140 5.743 -7.871 2.381 1.00 10.00 H new ATOM 0 HA ALA A 140 7.482 -6.033 0.846 1.00 10.00 H new ATOM 0 HB1 ALA A 140 7.515 -4.719 2.940 1.00 10.00 H new ATOM 0 HB2 ALA A 140 5.858 -4.897 2.317 1.00 10.00 H new ATOM 0 HB3 ALA A 140 6.402 -5.887 3.691 1.00 10.00 H new ATOM 2062 N THR A 141 9.551 -7.187 1.696 1.00 10.00 N ATOM 2063 CA THR A 141 10.801 -7.601 2.330 1.00 10.00 C ATOM 2064 C THR A 141 11.326 -6.418 3.135 1.00 10.00 C ATOM 2065 O THR A 141 11.091 -5.266 2.777 1.00 10.00 O ATOM 2066 CB THR A 141 11.829 -8.160 1.330 1.00 10.00 C ATOM 2067 OG1 THR A 141 12.921 -8.748 2.009 1.00 10.00 O ATOM 2068 CG2 THR A 141 12.422 -7.081 0.432 1.00 10.00 C ATOM 0 H THR A 141 9.647 -6.865 0.733 1.00 10.00 H new ATOM 0 HA THR A 141 10.612 -8.440 2.999 1.00 10.00 H new ATOM 0 HB THR A 141 11.281 -8.887 0.730 1.00 10.00 H new ATOM 0 HG1 THR A 141 12.600 -9.196 2.819 1.00 10.00 H new ATOM 0 HG21 THR A 141 13.140 -7.532 -0.253 1.00 10.00 H new ATOM 0 HG22 THR A 141 11.625 -6.605 -0.139 1.00 10.00 H new ATOM 0 HG23 THR A 141 12.925 -6.333 1.045 1.00 10.00 H new ATOM 2076 N VAL A 142 12.013 -6.692 4.238 1.00 10.00 N ATOM 2077 CA VAL A 142 12.446 -5.672 5.174 1.00 10.00 C ATOM 2078 C VAL A 142 13.970 -5.640 5.079 1.00 10.00 C ATOM 2079 O VAL A 142 14.612 -6.533 5.619 1.00 10.00 O ATOM 2080 CB VAL A 142 11.947 -6.075 6.575 1.00 10.00 C ATOM 2081 CG1 VAL A 142 12.185 -4.977 7.609 1.00 10.00 C ATOM 2082 CG2 VAL A 142 10.449 -6.414 6.595 1.00 10.00 C ATOM 0 H VAL A 142 12.285 -7.638 4.506 1.00 10.00 H new ATOM 0 HA VAL A 142 12.051 -4.679 4.962 1.00 10.00 H new ATOM 0 HB VAL A 142 12.526 -6.963 6.831 1.00 10.00 H new ATOM 0 HG11 VAL A 142 11.817 -5.306 8.581 1.00 10.00 H new ATOM 0 HG12 VAL A 142 13.252 -4.767 7.677 1.00 10.00 H new ATOM 0 HG13 VAL A 142 11.656 -4.073 7.308 1.00 10.00 H new ATOM 0 HG21 VAL A 142 10.152 -6.691 7.607 1.00 10.00 H new ATOM 0 HG22 VAL A 142 9.875 -5.545 6.273 1.00 10.00 H new ATOM 0 HG23 VAL A 142 10.255 -7.247 5.919 1.00 10.00 H new ATOM 2092 N LYS A 143 14.561 -4.687 4.347 1.00 10.00 N ATOM 2093 CA LYS A 143 16.007 -4.572 4.186 1.00 10.00 C ATOM 2094 C LYS A 143 16.402 -3.137 3.812 1.00 10.00 C ATOM 2095 O LYS A 143 15.857 -2.588 2.858 1.00 10.00 O ATOM 2096 CB LYS A 143 16.514 -5.596 3.154 1.00 10.00 C ATOM 2097 CG LYS A 143 16.033 -5.309 1.724 1.00 10.00 C ATOM 2098 CD LYS A 143 16.316 -6.506 0.810 1.00 10.00 C ATOM 2099 CE LYS A 143 16.035 -6.120 -0.650 1.00 10.00 C ATOM 2100 NZ LYS A 143 16.251 -7.249 -1.577 1.00 10.00 N ATOM 0 H LYS A 143 14.038 -3.968 3.846 1.00 10.00 H new ATOM 0 HA LYS A 143 16.486 -4.799 5.139 1.00 10.00 H new ATOM 0 HB2 LYS A 143 17.604 -5.606 3.168 1.00 10.00 H new ATOM 0 HB3 LYS A 143 16.183 -6.592 3.448 1.00 10.00 H new ATOM 0 HG2 LYS A 143 14.964 -5.094 1.730 1.00 10.00 H new ATOM 0 HG3 LYS A 143 16.535 -4.422 1.337 1.00 10.00 H new ATOM 0 HD2 LYS A 143 17.353 -6.822 0.919 1.00 10.00 H new ATOM 0 HD3 LYS A 143 15.693 -7.352 1.099 1.00 10.00 H new ATOM 0 HE2 LYS A 143 15.007 -5.770 -0.740 1.00 10.00 H new ATOM 0 HE3 LYS A 143 16.681 -5.289 -0.935 1.00 10.00 H new ATOM 0 HZ1 LYS A 143 16.050 -6.943 -2.550 1.00 10.00 H new ATOM 0 HZ2 LYS A 143 17.239 -7.568 -1.512 1.00 10.00 H new ATOM 0 HZ3 LYS A 143 15.617 -8.033 -1.323 1.00 10.00 H new ATOM 2114 N LYS A 144 17.330 -2.517 4.553 1.00 10.00 N ATOM 2115 CA LYS A 144 17.905 -1.227 4.189 1.00 10.00 C ATOM 2116 C LYS A 144 18.565 -1.279 2.804 1.00 10.00 C ATOM 2117 O LYS A 144 19.700 -1.726 2.655 1.00 10.00 O ATOM 2118 CB LYS A 144 18.834 -0.685 5.288 1.00 10.00 C ATOM 2119 CG LYS A 144 19.905 -1.640 5.831 1.00 10.00 C ATOM 2120 CD LYS A 144 20.847 -0.869 6.776 1.00 10.00 C ATOM 2121 CE LYS A 144 20.907 -1.475 8.185 1.00 10.00 C ATOM 2122 NZ LYS A 144 19.654 -1.280 8.947 1.00 10.00 N ATOM 0 H LYS A 144 17.700 -2.901 5.422 1.00 10.00 H new ATOM 0 HA LYS A 144 17.091 -0.507 4.110 1.00 10.00 H new ATOM 0 HB2 LYS A 144 19.336 0.201 4.900 1.00 10.00 H new ATOM 0 HB3 LYS A 144 18.215 -0.360 6.124 1.00 10.00 H new ATOM 0 HG2 LYS A 144 19.435 -2.467 6.363 1.00 10.00 H new ATOM 0 HG3 LYS A 144 20.473 -2.073 5.008 1.00 10.00 H new ATOM 0 HD2 LYS A 144 21.850 -0.855 6.349 1.00 10.00 H new ATOM 0 HD3 LYS A 144 20.516 0.167 6.845 1.00 10.00 H new ATOM 0 HE2 LYS A 144 21.118 -2.542 8.108 1.00 10.00 H new ATOM 0 HE3 LYS A 144 21.734 -1.025 8.734 1.00 10.00 H new ATOM 0 HZ1 LYS A 144 19.577 -2.012 9.681 1.00 10.00 H new ATOM 0 HZ2 LYS A 144 19.662 -0.341 9.394 1.00 10.00 H new ATOM 0 HZ3 LYS A 144 18.841 -1.349 8.302 1.00 10.00 H new