USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 367 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 64 LYS NZ :NH3+ -137:sc= 0.00789 (180deg=-0.346) USER MOD Set 1.2: A 66 ASN : amide:sc= -2.23 K(o=-2.2,f=-4.8) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.224 X(o=-0.22,f=-0.42) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -123:sc= -0.1 (180deg=-0.627) USER MOD Single : A 77 GLN : amide:sc= -0.0404 K(o=-0.04,f=-0.81) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot -23:sc= 0.197 USER MOD Single : A 88 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0183) USER MOD Single : A 90 ASN : amide:sc= -3.83 X(o=-3.8,f=-3.9) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 280 N LYS A 23 -6.333 32.391 16.941 1.00 54.54 N ATOM 281 CA LYS A 23 -7.452 31.560 16.514 1.00 52.34 C ATOM 282 C LYS A 23 -7.253 31.072 15.083 1.00 1.33 C ATOM 283 O LYS A 23 -6.935 29.905 14.853 1.00 3.30 O ATOM 284 CB LYS A 23 -8.765 32.340 16.621 1.00 73.40 C ATOM 285 CG LYS A 23 -8.603 33.833 16.399 1.00 5.42 C ATOM 286 CD LYS A 23 -9.794 34.420 15.660 1.00 71.44 C ATOM 287 CE LYS A 23 -11.088 34.206 16.430 1.00 13.13 C ATOM 288 NZ LYS A 23 -12.269 34.723 15.686 1.00 65.23 N ATOM 0 HA LYS A 23 -7.498 30.692 17.172 1.00 52.34 H new ATOM 0 HB2 LYS A 23 -9.472 31.947 15.891 1.00 73.40 H new ATOM 0 HB3 LYS A 23 -9.199 32.172 17.607 1.00 73.40 H new ATOM 0 HG2 LYS A 23 -8.487 34.334 17.360 1.00 5.42 H new ATOM 0 HG3 LYS A 23 -7.692 34.020 15.830 1.00 5.42 H new ATOM 0 HD2 LYS A 23 -9.636 35.487 15.502 1.00 71.44 H new ATOM 0 HD3 LYS A 23 -9.875 33.960 14.675 1.00 71.44 H new ATOM 0 HE2 LYS A 23 -11.221 33.142 16.628 1.00 13.13 H new ATOM 0 HE3 LYS A 23 -11.022 34.704 17.397 1.00 13.13 H new ATOM 0 HZ1 LYS A 23 -13.131 34.558 16.245 1.00 65.23 H new ATOM 0 HZ2 LYS A 23 -12.155 35.743 15.519 1.00 65.23 H new ATOM 0 HZ3 LYS A 23 -12.348 34.230 14.774 1.00 65.23 H new ATOM 298 N SER A 24 -7.440 31.975 14.125 1.00 64.54 N ATOM 299 CA SER A 24 -7.283 31.636 12.715 1.00 21.41 C ATOM 300 C SER A 24 -6.124 30.663 12.516 1.00 24.55 C ATOM 301 O SER A 24 -6.144 29.833 11.607 1.00 41.22 O ATOM 302 CB SER A 24 -7.049 32.901 11.887 1.00 13.34 C ATOM 303 OG SER A 24 -8.091 33.096 10.948 1.00 62.15 O ATOM 0 H SER A 24 -7.700 32.946 14.299 1.00 64.54 H new ATOM 0 HA SER A 24 -8.201 31.155 12.378 1.00 21.41 H new ATOM 0 HB2 SER A 24 -6.985 33.765 12.548 1.00 13.34 H new ATOM 0 HB3 SER A 24 -6.095 32.827 11.366 1.00 13.34 H new ATOM 0 HG SER A 24 -7.919 33.912 10.433 1.00 62.15 H new ATOM 308 N TYR A 25 -5.115 30.772 13.373 1.00 33.22 N ATOM 309 CA TYR A 25 -3.945 29.904 13.291 1.00 4.23 C ATOM 310 C TYR A 25 -4.203 28.575 13.992 1.00 51.54 C ATOM 311 O TYR A 25 -4.090 27.509 13.388 1.00 63.15 O ATOM 312 CB TYR A 25 -2.729 30.593 13.912 1.00 5.51 C ATOM 313 CG TYR A 25 -2.397 31.925 13.277 1.00 43.23 C ATOM 314 CD1 TYR A 25 -3.268 33.002 13.379 1.00 3.21 C ATOM 315 CD2 TYR A 25 -1.213 32.106 12.574 1.00 33.54 C ATOM 316 CE1 TYR A 25 -2.970 34.221 12.800 1.00 60.23 C ATOM 317 CE2 TYR A 25 -0.905 33.320 11.992 1.00 32.04 C ATOM 318 CZ TYR A 25 -1.786 34.374 12.107 1.00 3.41 C ATOM 319 OH TYR A 25 -1.485 35.587 11.529 1.00 15.01 O ATOM 0 H TYR A 25 -5.083 31.452 14.132 1.00 33.22 H new ATOM 0 HA TYR A 25 -3.744 29.706 12.238 1.00 4.23 H new ATOM 0 HB2 TYR A 25 -2.911 30.743 14.976 1.00 5.51 H new ATOM 0 HB3 TYR A 25 -1.865 29.934 13.826 1.00 5.51 H new ATOM 0 HD1 TYR A 25 -4.195 32.885 13.921 1.00 3.21 H new ATOM 0 HD2 TYR A 25 -0.521 31.282 12.481 1.00 33.54 H new ATOM 0 HE1 TYR A 25 -3.659 35.048 12.889 1.00 60.23 H new ATOM 0 HE2 TYR A 25 0.021 33.443 11.450 1.00 32.04 H new ATOM 0 HH TYR A 25 -0.616 35.529 11.080 1.00 15.01 H new ATOM 328 N ALA A 26 -4.552 28.646 15.273 1.00 10.22 N ATOM 329 CA ALA A 26 -4.829 27.449 16.057 1.00 11.30 C ATOM 330 C ALA A 26 -6.134 26.795 15.617 1.00 53.21 C ATOM 331 O ALA A 26 -6.182 25.589 15.377 1.00 45.31 O ATOM 332 CB ALA A 26 -4.880 27.789 17.540 1.00 21.24 C ATOM 0 H ALA A 26 -4.649 29.520 15.789 1.00 10.22 H new ATOM 0 HA ALA A 26 -4.021 26.738 15.886 1.00 11.30 H new ATOM 0 HB1 ALA A 26 -5.088 26.886 18.113 1.00 21.24 H new ATOM 0 HB2 ALA A 26 -3.921 28.204 17.851 1.00 21.24 H new ATOM 0 HB3 ALA A 26 -5.668 28.521 17.719 1.00 21.24 H new ATOM 338 N GLU A 27 -7.189 27.598 15.516 1.00 32.22 N ATOM 339 CA GLU A 27 -8.494 27.094 15.107 1.00 65.22 C ATOM 340 C GLU A 27 -8.376 26.229 13.855 1.00 73.11 C ATOM 341 O GLU A 27 -8.783 25.068 13.851 1.00 43.32 O ATOM 342 CB GLU A 27 -9.455 28.257 14.847 1.00 53.40 C ATOM 343 CG GLU A 27 -10.887 27.817 14.588 1.00 14.13 C ATOM 344 CD GLU A 27 -11.827 28.200 15.714 1.00 1.43 C ATOM 345 OE1 GLU A 27 -11.371 28.251 16.876 1.00 3.13 O ATOM 346 OE2 GLU A 27 -13.018 28.450 15.433 1.00 13.44 O ATOM 0 H GLU A 27 -7.165 28.599 15.712 1.00 32.22 H new ATOM 0 HA GLU A 27 -8.888 26.479 15.917 1.00 65.22 H new ATOM 0 HB2 GLU A 27 -9.440 28.929 15.705 1.00 53.40 H new ATOM 0 HB3 GLU A 27 -9.098 28.827 13.989 1.00 53.40 H new ATOM 0 HG2 GLU A 27 -11.238 28.265 13.658 1.00 14.13 H new ATOM 0 HG3 GLU A 27 -10.912 26.736 14.451 1.00 14.13 H new ATOM 351 N GLN A 28 -7.815 26.804 12.796 1.00 33.24 N ATOM 352 CA GLN A 28 -7.644 26.086 11.539 1.00 50.34 C ATOM 353 C GLN A 28 -7.022 24.713 11.775 1.00 3.34 C ATOM 354 O GLN A 28 -7.354 23.744 11.094 1.00 20.33 O ATOM 355 CB GLN A 28 -6.770 26.896 10.580 1.00 63.34 C ATOM 356 CG GLN A 28 -7.557 27.590 9.478 1.00 55.34 C ATOM 357 CD GLN A 28 -6.739 27.798 8.219 1.00 43.44 C ATOM 358 OE1 GLN A 28 -6.235 28.893 7.967 1.00 61.00 O ATOM 359 NE2 GLN A 28 -6.603 26.746 7.420 1.00 0.32 N ATOM 0 H GLN A 28 -7.471 27.764 12.784 1.00 33.24 H new ATOM 0 HA GLN A 28 -8.629 25.946 11.093 1.00 50.34 H new ATOM 0 HB2 GLN A 28 -6.219 27.645 11.149 1.00 63.34 H new ATOM 0 HB3 GLN A 28 -6.032 26.234 10.127 1.00 63.34 H new ATOM 0 HG2 GLN A 28 -8.440 26.997 9.239 1.00 55.34 H new ATOM 0 HG3 GLN A 28 -7.910 28.555 9.841 1.00 55.34 H new ATOM 0 HE21 GLN A 28 -7.038 25.857 7.668 1.00 0.32 H new ATOM 0 HE22 GLN A 28 -6.063 26.827 6.558 1.00 0.32 H new ATOM 366 N GLY A 29 -6.116 24.639 12.747 1.00 51.35 N ATOM 367 CA GLY A 29 -5.462 23.381 13.055 1.00 11.30 C ATOM 368 C GLY A 29 -6.372 22.422 13.798 1.00 54.21 C ATOM 369 O GLY A 29 -6.406 21.228 13.497 1.00 21.11 O ATOM 0 H GLY A 29 -5.824 25.427 13.325 1.00 51.35 H new ATOM 0 HA2 GLY A 29 -5.125 22.914 12.130 1.00 11.30 H new ATOM 0 HA3 GLY A 29 -4.574 23.574 13.657 1.00 11.30 H new ATOM 372 N LYS A 30 -7.110 22.942 14.773 1.00 32.53 N ATOM 373 CA LYS A 30 -8.023 22.125 15.562 1.00 71.22 C ATOM 374 C LYS A 30 -9.188 21.634 14.708 1.00 52.00 C ATOM 375 O LYS A 30 -9.489 20.441 14.681 1.00 10.44 O ATOM 376 CB LYS A 30 -8.552 22.922 16.756 1.00 5.31 C ATOM 377 CG LYS A 30 -8.011 22.446 18.093 1.00 34.10 C ATOM 378 CD LYS A 30 -7.059 23.460 18.703 1.00 0.04 C ATOM 379 CE LYS A 30 -5.714 23.460 17.992 1.00 3.34 C ATOM 380 NZ LYS A 30 -4.744 22.536 18.641 1.00 72.43 N ATOM 0 H LYS A 30 -7.093 23.927 15.036 1.00 32.53 H new ATOM 0 HA LYS A 30 -7.472 21.258 15.928 1.00 71.22 H new ATOM 0 HB2 LYS A 30 -8.295 23.973 16.623 1.00 5.31 H new ATOM 0 HB3 LYS A 30 -9.640 22.859 16.771 1.00 5.31 H new ATOM 0 HG2 LYS A 30 -8.839 22.266 18.778 1.00 34.10 H new ATOM 0 HG3 LYS A 30 -7.495 21.495 17.960 1.00 34.10 H new ATOM 0 HD2 LYS A 30 -7.501 24.455 18.648 1.00 0.04 H new ATOM 0 HD3 LYS A 30 -6.913 23.234 19.759 1.00 0.04 H new ATOM 0 HE2 LYS A 30 -5.853 23.168 16.951 1.00 3.34 H new ATOM 0 HE3 LYS A 30 -5.306 24.471 17.987 1.00 3.34 H new ATOM 0 HZ1 LYS A 30 -3.840 22.565 18.127 1.00 72.43 H new ATOM 0 HZ2 LYS A 30 -4.591 22.830 19.627 1.00 72.43 H new ATOM 0 HZ3 LYS A 30 -5.122 21.567 18.623 1.00 72.43 H new ATOM 390 N GLU A 31 -9.839 22.562 14.013 1.00 35.52 N ATOM 391 CA GLU A 31 -10.971 22.221 13.158 1.00 13.24 C ATOM 392 C GLU A 31 -10.659 20.995 12.307 1.00 73.35 C ATOM 393 O GLU A 31 -11.559 20.247 11.924 1.00 53.32 O ATOM 394 CB GLU A 31 -11.331 23.404 12.258 1.00 64.43 C ATOM 395 CG GLU A 31 -10.245 23.760 11.257 1.00 44.33 C ATOM 396 CD GLU A 31 -10.749 24.659 10.144 1.00 11.11 C ATOM 397 OE1 GLU A 31 -10.961 25.862 10.405 1.00 53.42 O ATOM 398 OE2 GLU A 31 -10.931 24.161 9.013 1.00 13.34 O ATOM 0 H GLU A 31 -9.603 23.554 14.025 1.00 35.52 H new ATOM 0 HA GLU A 31 -11.822 21.989 13.798 1.00 13.24 H new ATOM 0 HB2 GLU A 31 -12.249 23.173 11.718 1.00 64.43 H new ATOM 0 HB3 GLU A 31 -11.538 24.274 12.881 1.00 64.43 H new ATOM 0 HG2 GLU A 31 -9.426 24.256 11.777 1.00 44.33 H new ATOM 0 HG3 GLU A 31 -9.840 22.845 10.825 1.00 44.33 H new ATOM 403 N TYR A 32 -9.379 20.795 12.012 1.00 50.52 N ATOM 404 CA TYR A 32 -8.949 19.662 11.203 1.00 35.44 C ATOM 405 C TYR A 32 -8.972 18.371 12.016 1.00 40.33 C ATOM 406 O TYR A 32 -9.298 17.303 11.497 1.00 73.21 O ATOM 407 CB TYR A 32 -7.542 19.906 10.654 1.00 51.00 C ATOM 408 CG TYR A 32 -6.789 18.635 10.331 1.00 13.02 C ATOM 409 CD1 TYR A 32 -6.210 17.871 11.338 1.00 3.42 C ATOM 410 CD2 TYR A 32 -6.658 18.196 9.019 1.00 11.32 C ATOM 411 CE1 TYR A 32 -5.521 16.711 11.047 1.00 53.13 C ATOM 412 CE2 TYR A 32 -5.971 17.035 8.720 1.00 64.31 C ATOM 413 CZ TYR A 32 -5.404 16.296 9.737 1.00 64.42 C ATOM 414 OH TYR A 32 -4.719 15.139 9.444 1.00 44.45 O ATOM 0 H TYR A 32 -8.621 21.404 12.322 1.00 50.52 H new ATOM 0 HA TYR A 32 -9.645 19.558 10.370 1.00 35.44 H new ATOM 0 HB2 TYR A 32 -7.613 20.515 9.753 1.00 51.00 H new ATOM 0 HB3 TYR A 32 -6.971 20.481 11.383 1.00 51.00 H new ATOM 0 HD1 TYR A 32 -6.301 18.191 12.366 1.00 3.42 H new ATOM 0 HD2 TYR A 32 -7.101 18.772 8.220 1.00 11.32 H new ATOM 0 HE1 TYR A 32 -5.075 16.131 11.842 1.00 53.13 H new ATOM 0 HE2 TYR A 32 -5.879 16.708 7.695 1.00 64.31 H new ATOM 0 HH TYR A 32 -4.731 14.988 8.476 1.00 44.45 H new ATOM 423 N ILE A 33 -8.626 18.478 13.294 1.00 1.21 N ATOM 424 CA ILE A 33 -8.609 17.322 14.181 1.00 61.10 C ATOM 425 C ILE A 33 -9.937 17.173 14.917 1.00 21.22 C ATOM 426 O ILE A 33 -10.612 16.151 14.803 1.00 54.05 O ATOM 427 CB ILE A 33 -7.471 17.420 15.213 1.00 23.01 C ATOM 428 CG1 ILE A 33 -7.899 16.789 16.539 1.00 54.31 C ATOM 429 CG2 ILE A 33 -7.065 18.872 15.418 1.00 20.14 C ATOM 430 CD1 ILE A 33 -6.827 16.834 17.605 1.00 30.33 C ATOM 0 H ILE A 33 -8.353 19.355 13.739 1.00 1.21 H new ATOM 0 HA ILE A 33 -8.444 16.446 13.553 1.00 61.10 H new ATOM 0 HB ILE A 33 -6.609 16.872 14.833 1.00 23.01 H new ATOM 0 HG12 ILE A 33 -8.787 17.303 16.907 1.00 54.31 H new ATOM 0 HG13 ILE A 33 -8.182 15.751 16.363 1.00 54.31 H new ATOM 0 HG21 ILE A 33 -6.259 18.925 16.150 1.00 20.14 H new ATOM 0 HG22 ILE A 33 -6.723 19.291 14.472 1.00 20.14 H new ATOM 0 HG23 ILE A 33 -7.921 19.442 15.779 1.00 20.14 H new ATOM 0 HD11 ILE A 33 -7.201 16.369 18.517 1.00 30.33 H new ATOM 0 HD12 ILE A 33 -5.946 16.295 17.258 1.00 30.33 H new ATOM 0 HD13 ILE A 33 -6.561 17.871 17.809 1.00 30.33 H new ATOM 441 N THR A 34 -10.306 18.203 15.673 1.00 70.42 N ATOM 442 CA THR A 34 -11.553 18.189 16.427 1.00 10.01 C ATOM 443 C THR A 34 -12.657 17.481 15.651 1.00 51.42 C ATOM 444 O THR A 34 -13.371 16.639 16.196 1.00 15.11 O ATOM 445 CB THR A 34 -12.018 19.617 16.772 1.00 35.25 C ATOM 446 OG1 THR A 34 -13.343 19.584 17.312 1.00 42.04 O ATOM 447 CG2 THR A 34 -11.988 20.507 15.539 1.00 13.14 C ATOM 0 H THR A 34 -9.759 19.057 15.779 1.00 70.42 H new ATOM 0 HA THR A 34 -11.357 17.646 17.351 1.00 10.01 H new ATOM 0 HB THR A 34 -11.335 20.029 17.515 1.00 35.25 H new ATOM 0 HG1 THR A 34 -13.630 20.495 17.530 1.00 42.04 H new ATOM 0 HG21 THR A 34 -12.320 21.510 15.806 1.00 13.14 H new ATOM 0 HG22 THR A 34 -10.971 20.553 15.148 1.00 13.14 H new ATOM 0 HG23 THR A 34 -12.651 20.096 14.777 1.00 13.14 H new ATOM 604 N PRO A 46 -14.610 -1.191 17.947 1.00 61.24 N ATOM 605 CA PRO A 46 -14.750 -2.243 16.935 1.00 52.53 C ATOM 606 C PRO A 46 -16.038 -3.042 17.103 1.00 50.23 C ATOM 607 O PRO A 46 -16.499 -3.696 16.168 1.00 43.30 O ATOM 608 CB PRO A 46 -13.531 -3.136 17.180 1.00 4.30 C ATOM 609 CG PRO A 46 -13.183 -2.917 18.612 1.00 61.44 C ATOM 610 CD PRO A 46 -13.536 -1.486 18.910 1.00 63.43 C ATOM 0 HA PRO A 46 -14.800 -1.833 15.926 1.00 52.53 H new ATOM 0 HB2 PRO A 46 -13.762 -4.183 16.984 1.00 4.30 H new ATOM 0 HB3 PRO A 46 -12.703 -2.864 16.525 1.00 4.30 H new ATOM 0 HG2 PRO A 46 -13.738 -3.598 19.257 1.00 61.44 H new ATOM 0 HG3 PRO A 46 -12.124 -3.103 18.789 1.00 61.44 H new ATOM 0 HD2 PRO A 46 -13.874 -1.361 19.939 1.00 63.43 H new ATOM 0 HD3 PRO A 46 -12.681 -0.824 18.773 1.00 63.43 H new ATOM 615 N GLU A 47 -16.613 -2.984 18.300 1.00 50.02 N ATOM 616 CA GLU A 47 -17.848 -3.703 18.590 1.00 61.32 C ATOM 617 C GLU A 47 -19.067 -2.842 18.270 1.00 34.05 C ATOM 618 O GLU A 47 -20.206 -3.270 18.452 1.00 45.43 O ATOM 619 CB GLU A 47 -17.883 -4.131 20.058 1.00 13.44 C ATOM 620 CG GLU A 47 -17.581 -3.002 21.029 1.00 32.54 C ATOM 621 CD GLU A 47 -18.093 -3.282 22.428 1.00 65.10 C ATOM 622 OE1 GLU A 47 -19.324 -3.224 22.631 1.00 34.51 O ATOM 623 OE2 GLU A 47 -17.264 -3.558 23.320 1.00 33.43 O ATOM 0 H GLU A 47 -16.244 -2.447 19.084 1.00 50.02 H new ATOM 0 HA GLU A 47 -17.877 -4.592 17.960 1.00 61.32 H new ATOM 0 HB2 GLU A 47 -18.867 -4.540 20.285 1.00 13.44 H new ATOM 0 HB3 GLU A 47 -17.161 -4.933 20.211 1.00 13.44 H new ATOM 0 HG2 GLU A 47 -16.504 -2.839 21.066 1.00 32.54 H new ATOM 0 HG3 GLU A 47 -18.031 -2.080 20.660 1.00 32.54 H new ATOM 628 N ASP A 48 -18.817 -1.627 17.793 1.00 52.52 N ATOM 629 CA ASP A 48 -19.893 -0.706 17.447 1.00 13.33 C ATOM 630 C ASP A 48 -20.740 -1.263 16.308 1.00 2.52 C ATOM 631 O ASP A 48 -21.845 -0.787 16.054 1.00 44.32 O ATOM 632 CB ASP A 48 -19.319 0.656 17.054 1.00 12.44 C ATOM 633 CG ASP A 48 -18.857 0.695 15.611 1.00 32.33 C ATOM 634 OD1 ASP A 48 -18.294 -0.315 15.142 1.00 70.32 O ATOM 635 OD2 ASP A 48 -19.057 1.737 14.951 1.00 74.03 O ATOM 0 H ASP A 48 -17.879 -1.258 17.637 1.00 52.52 H new ATOM 0 HA ASP A 48 -20.530 -0.584 18.323 1.00 13.33 H new ATOM 0 HB2 ASP A 48 -20.076 1.425 17.211 1.00 12.44 H new ATOM 0 HB3 ASP A 48 -18.480 0.896 17.708 1.00 12.44 H new ATOM 639 N ASN A 49 -20.213 -2.274 15.625 1.00 2.53 N ATOM 640 CA ASN A 49 -20.922 -2.894 14.511 1.00 21.43 C ATOM 641 C ASN A 49 -22.286 -3.413 14.956 1.00 64.53 C ATOM 642 O ASN A 49 -23.200 -3.560 14.144 1.00 41.15 O ATOM 643 CB ASN A 49 -20.092 -4.040 13.928 1.00 43.24 C ATOM 644 CG ASN A 49 -20.202 -4.123 12.417 1.00 55.54 C ATOM 645 OD1 ASN A 49 -20.649 -5.132 11.871 1.00 54.20 O ATOM 646 ND2 ASN A 49 -19.794 -3.059 11.736 1.00 75.44 N ATOM 0 H ASN A 49 -19.299 -2.681 15.823 1.00 2.53 H new ATOM 0 HA ASN A 49 -21.075 -2.137 13.742 1.00 21.43 H new ATOM 0 HB2 ASN A 49 -19.047 -3.906 14.207 1.00 43.24 H new ATOM 0 HB3 ASN A 49 -20.421 -4.983 14.366 1.00 43.24 H new ATOM 0 HD21 ASN A 49 -19.844 -3.056 10.717 1.00 75.44 H new ATOM 0 HD22 ASN A 49 -19.431 -2.245 12.232 1.00 75.44 H new ATOM 652 N LYS A 50 -22.416 -3.688 16.248 1.00 14.34 N ATOM 653 CA LYS A 50 -23.668 -4.189 16.803 1.00 23.42 C ATOM 654 C LYS A 50 -24.494 -3.051 17.394 1.00 13.45 C ATOM 655 O LYS A 50 -25.705 -3.178 17.574 1.00 62.21 O ATOM 656 CB LYS A 50 -23.389 -5.242 17.877 1.00 73.43 C ATOM 657 CG LYS A 50 -24.622 -5.650 18.665 1.00 23.40 C ATOM 658 CD LYS A 50 -25.652 -6.328 17.777 1.00 73.23 C ATOM 659 CE LYS A 50 -26.323 -7.493 18.491 1.00 22.24 C ATOM 660 NZ LYS A 50 -27.465 -7.042 19.334 1.00 65.32 N ATOM 0 H LYS A 50 -21.669 -3.572 16.932 1.00 14.34 H new ATOM 0 HA LYS A 50 -24.238 -4.647 15.994 1.00 23.42 H new ATOM 0 HB2 LYS A 50 -22.961 -6.126 17.404 1.00 73.43 H new ATOM 0 HB3 LYS A 50 -22.639 -4.855 18.567 1.00 73.43 H new ATOM 0 HG2 LYS A 50 -24.333 -6.326 19.470 1.00 23.40 H new ATOM 0 HG3 LYS A 50 -25.065 -4.770 19.131 1.00 23.40 H new ATOM 0 HD2 LYS A 50 -26.407 -5.602 17.474 1.00 73.23 H new ATOM 0 HD3 LYS A 50 -25.170 -6.686 16.867 1.00 73.23 H new ATOM 0 HE2 LYS A 50 -26.677 -8.215 17.755 1.00 22.24 H new ATOM 0 HE3 LYS A 50 -25.592 -8.007 19.115 1.00 22.24 H new ATOM 0 HZ1 LYS A 50 -27.896 -7.864 19.804 1.00 65.32 H new ATOM 0 HZ2 LYS A 50 -27.123 -6.373 20.053 1.00 65.32 H new ATOM 0 HZ3 LYS A 50 -28.175 -6.574 18.735 1.00 65.32 H new ATOM 670 N GLY A 51 -23.831 -1.939 17.695 1.00 0.42 N ATOM 671 CA GLY A 51 -24.522 -0.795 18.262 1.00 23.11 C ATOM 672 C GLY A 51 -25.509 -0.175 17.294 1.00 45.43 C ATOM 673 O GLY A 51 -26.528 0.381 17.706 1.00 23.10 O ATOM 0 H GLY A 51 -22.829 -1.809 17.557 1.00 0.42 H new ATOM 0 HA2 GLY A 51 -25.049 -1.104 19.165 1.00 23.11 H new ATOM 0 HA3 GLY A 51 -23.790 -0.044 18.561 1.00 23.11 H new ATOM 676 N VAL A 52 -25.209 -0.269 16.003 1.00 31.44 N ATOM 677 CA VAL A 52 -26.078 0.288 14.973 1.00 62.52 C ATOM 678 C VAL A 52 -27.438 -0.400 14.972 1.00 23.33 C ATOM 679 O VAL A 52 -28.471 0.243 14.784 1.00 22.13 O ATOM 680 CB VAL A 52 -25.447 0.155 13.574 1.00 33.21 C ATOM 681 CG1 VAL A 52 -24.067 0.796 13.547 1.00 2.12 C ATOM 682 CG2 VAL A 52 -25.371 -1.307 13.160 1.00 11.21 C ATOM 0 H VAL A 52 -24.370 -0.726 15.645 1.00 31.44 H new ATOM 0 HA VAL A 52 -26.208 1.345 15.206 1.00 62.52 H new ATOM 0 HB VAL A 52 -26.080 0.680 12.859 1.00 33.21 H new ATOM 0 HG11 VAL A 52 -23.637 0.692 12.551 1.00 2.12 H new ATOM 0 HG12 VAL A 52 -24.152 1.854 13.797 1.00 2.12 H new ATOM 0 HG13 VAL A 52 -23.422 0.302 14.274 1.00 2.12 H new ATOM 0 HG21 VAL A 52 -24.923 -1.382 12.169 1.00 11.21 H new ATOM 0 HG22 VAL A 52 -24.761 -1.857 13.877 1.00 11.21 H new ATOM 0 HG23 VAL A 52 -26.375 -1.731 13.137 1.00 11.21 H new ATOM 692 N PHE A 53 -27.432 -1.712 15.182 1.00 0.54 N ATOM 693 CA PHE A 53 -28.667 -2.488 15.206 1.00 74.32 C ATOM 694 C PHE A 53 -29.236 -2.562 16.619 1.00 74.11 C ATOM 695 O PHE A 53 -30.369 -2.998 16.820 1.00 20.20 O ATOM 696 CB PHE A 53 -28.416 -3.900 14.670 1.00 44.41 C ATOM 697 CG PHE A 53 -28.297 -3.960 13.174 1.00 53.33 C ATOM 698 CD1 PHE A 53 -29.405 -3.754 12.368 1.00 74.14 C ATOM 699 CD2 PHE A 53 -27.076 -4.223 12.574 1.00 0.13 C ATOM 700 CE1 PHE A 53 -29.298 -3.811 10.992 1.00 23.53 C ATOM 701 CE2 PHE A 53 -26.963 -4.280 11.198 1.00 23.43 C ATOM 702 CZ PHE A 53 -28.075 -4.072 10.405 1.00 35.11 C ATOM 0 H PHE A 53 -26.586 -2.260 15.338 1.00 0.54 H new ATOM 0 HA PHE A 53 -29.394 -1.987 14.567 1.00 74.32 H new ATOM 0 HB2 PHE A 53 -27.502 -4.292 15.115 1.00 44.41 H new ATOM 0 HB3 PHE A 53 -29.230 -4.551 14.988 1.00 44.41 H new ATOM 0 HD1 PHE A 53 -30.363 -3.546 12.821 1.00 74.14 H new ATOM 0 HD2 PHE A 53 -26.203 -4.385 13.189 1.00 0.13 H new ATOM 0 HE1 PHE A 53 -30.170 -3.652 10.375 1.00 23.53 H new ATOM 0 HE2 PHE A 53 -26.006 -4.487 10.743 1.00 23.43 H new ATOM 0 HZ PHE A 53 -27.988 -4.113 9.329 1.00 35.11 H new ATOM 711 N GLN A 54 -28.441 -2.134 17.594 1.00 3.44 N ATOM 712 CA GLN A 54 -28.866 -2.152 18.990 1.00 23.53 C ATOM 713 C GLN A 54 -30.030 -1.193 19.218 1.00 24.53 C ATOM 714 O GLN A 54 -30.991 -1.522 19.909 1.00 43.45 O ATOM 715 CB GLN A 54 -27.697 -1.782 19.905 1.00 61.13 C ATOM 716 CG GLN A 54 -28.110 -1.528 21.346 1.00 60.22 C ATOM 717 CD GLN A 54 -27.040 -1.935 22.339 1.00 73.00 C ATOM 718 OE1 GLN A 54 -25.984 -1.309 22.424 1.00 22.50 O ATOM 719 NE2 GLN A 54 -27.308 -2.991 23.099 1.00 15.31 N ATOM 0 H GLN A 54 -27.500 -1.771 17.444 1.00 3.44 H new ATOM 0 HA GLN A 54 -29.200 -3.162 19.229 1.00 23.53 H new ATOM 0 HB2 GLN A 54 -26.961 -2.585 19.883 1.00 61.13 H new ATOM 0 HB3 GLN A 54 -27.208 -0.890 19.513 1.00 61.13 H new ATOM 0 HG2 GLN A 54 -28.336 -0.469 21.474 1.00 60.22 H new ATOM 0 HG3 GLN A 54 -29.027 -2.078 21.560 1.00 60.22 H new ATOM 0 HE21 GLN A 54 -28.196 -3.481 22.996 1.00 15.31 H new ATOM 0 HE22 GLN A 54 -26.625 -3.312 23.786 1.00 15.31 H new ATOM 726 N GLY A 55 -29.933 -0.004 18.630 1.00 22.05 N ATOM 727 CA GLY A 55 -30.985 0.985 18.782 1.00 23.15 C ATOM 728 C GLY A 55 -32.025 0.899 17.683 1.00 12.12 C ATOM 729 O GLY A 55 -33.106 1.476 17.795 1.00 5.35 O ATOM 0 H GLY A 55 -29.146 0.292 18.052 1.00 22.05 H new ATOM 0 HA2 GLY A 55 -31.470 0.849 19.749 1.00 23.15 H new ATOM 0 HA3 GLY A 55 -30.545 1.982 18.784 1.00 23.15 H new ATOM 732 N VAL A 56 -31.699 0.175 16.617 1.00 12.22 N ATOM 733 CA VAL A 56 -32.614 0.015 15.493 1.00 35.02 C ATOM 734 C VAL A 56 -33.510 -1.204 15.684 1.00 63.32 C ATOM 735 O VAL A 56 -34.735 -1.106 15.599 1.00 41.21 O ATOM 736 CB VAL A 56 -31.850 -0.127 14.164 1.00 73.30 C ATOM 737 CG1 VAL A 56 -32.607 -1.034 13.207 1.00 61.43 C ATOM 738 CG2 VAL A 56 -31.610 1.239 13.539 1.00 42.32 C ATOM 0 H VAL A 56 -30.808 -0.310 16.508 1.00 12.22 H new ATOM 0 HA VAL A 56 -33.230 0.913 15.455 1.00 35.02 H new ATOM 0 HB VAL A 56 -30.881 -0.583 14.369 1.00 73.30 H new ATOM 0 HG11 VAL A 56 -32.052 -1.122 12.273 1.00 61.43 H new ATOM 0 HG12 VAL A 56 -32.722 -2.021 13.655 1.00 61.43 H new ATOM 0 HG13 VAL A 56 -33.591 -0.610 13.005 1.00 61.43 H new ATOM 0 HG21 VAL A 56 -31.069 1.120 12.600 1.00 42.32 H new ATOM 0 HG22 VAL A 56 -32.567 1.724 13.347 1.00 42.32 H new ATOM 0 HG23 VAL A 56 -31.022 1.853 14.221 1.00 42.32 H new ATOM 748 N HIS A 57 -32.893 -2.352 15.942 1.00 21.20 N ATOM 749 CA HIS A 57 -33.635 -3.590 16.146 1.00 53.54 C ATOM 750 C HIS A 57 -34.697 -3.415 17.227 1.00 55.43 C ATOM 751 O HIS A 57 -35.716 -4.106 17.228 1.00 52.34 O ATOM 752 CB HIS A 57 -32.682 -4.723 16.529 1.00 40.04 C ATOM 753 CG HIS A 57 -33.240 -6.089 16.268 1.00 63.13 C ATOM 754 ND1 HIS A 57 -34.401 -6.304 15.555 1.00 30.24 N ATOM 755 CD2 HIS A 57 -32.789 -7.313 16.627 1.00 15.41 C ATOM 756 CE1 HIS A 57 -34.641 -7.601 15.489 1.00 33.53 C ATOM 757 NE2 HIS A 57 -33.677 -8.236 16.132 1.00 74.11 N ATOM 0 H HIS A 57 -31.880 -2.451 16.015 1.00 21.20 H new ATOM 0 HA HIS A 57 -34.133 -3.845 15.210 1.00 53.54 H new ATOM 0 HB2 HIS A 57 -31.751 -4.607 15.973 1.00 40.04 H new ATOM 0 HB3 HIS A 57 -32.435 -4.637 17.587 1.00 40.04 H new ATOM 0 HD2 HIS A 57 -31.896 -7.525 17.197 1.00 15.41 H new ATOM 0 HE1 HIS A 57 -35.482 -8.064 14.994 1.00 33.53 H new ATOM 0 HE2 HIS A 57 -33.604 -9.247 16.243 1.00 74.11 H new ATOM 764 N ASP A 58 -34.452 -2.489 18.147 1.00 35.45 N ATOM 765 CA ASP A 58 -35.387 -2.223 19.234 1.00 22.41 C ATOM 766 C ASP A 58 -36.776 -1.908 18.690 1.00 20.11 C ATOM 767 O ASP A 58 -37.782 -2.122 19.367 1.00 71.34 O ATOM 768 CB ASP A 58 -34.886 -1.060 20.092 1.00 13.30 C ATOM 769 CG ASP A 58 -35.967 -0.500 20.995 1.00 51.53 C ATOM 770 OD1 ASP A 58 -36.309 -1.165 21.995 1.00 11.33 O ATOM 771 OD2 ASP A 58 -36.471 0.604 20.702 1.00 72.42 O ATOM 0 H ASP A 58 -33.613 -1.909 18.162 1.00 35.45 H new ATOM 0 HA ASP A 58 -35.453 -3.119 19.852 1.00 22.41 H new ATOM 0 HB2 ASP A 58 -34.046 -1.396 20.700 1.00 13.30 H new ATOM 0 HB3 ASP A 58 -34.512 -0.268 19.443 1.00 13.30 H new ATOM 775 N SER A 59 -36.825 -1.397 17.463 1.00 32.14 N ATOM 776 CA SER A 59 -38.091 -1.048 16.830 1.00 51.35 C ATOM 777 C SER A 59 -38.953 -2.289 16.618 1.00 53.52 C ATOM 778 O SER A 59 -40.179 -2.202 16.550 1.00 35.34 O ATOM 779 CB SER A 59 -37.840 -0.352 15.491 1.00 45.54 C ATOM 780 OG SER A 59 -38.911 -0.581 14.590 1.00 13.32 O ATOM 0 H SER A 59 -36.002 -1.216 16.888 1.00 32.14 H new ATOM 0 HA SER A 59 -38.625 -0.366 17.492 1.00 51.35 H new ATOM 0 HB2 SER A 59 -37.718 0.719 15.651 1.00 45.54 H new ATOM 0 HB3 SER A 59 -36.910 -0.717 15.056 1.00 45.54 H new ATOM 0 HG SER A 59 -38.728 -0.125 13.742 1.00 13.32 H new ATOM 785 N ALA A 60 -38.302 -3.443 16.516 1.00 54.13 N ATOM 786 CA ALA A 60 -39.008 -4.703 16.314 1.00 11.35 C ATOM 787 C ALA A 60 -39.371 -5.348 17.646 1.00 13.45 C ATOM 788 O ALA A 60 -39.801 -6.500 17.692 1.00 50.33 O ATOM 789 CB ALA A 60 -38.164 -5.653 15.478 1.00 24.15 C ATOM 0 H ALA A 60 -37.287 -3.532 16.570 1.00 54.13 H new ATOM 0 HA ALA A 60 -39.933 -4.491 15.779 1.00 11.35 H new ATOM 0 HB1 ALA A 60 -38.704 -6.589 15.335 1.00 24.15 H new ATOM 0 HB2 ALA A 60 -37.960 -5.200 14.508 1.00 24.15 H new ATOM 0 HB3 ALA A 60 -37.223 -5.851 15.991 1.00 24.15 H new ATOM 795 N GLU A 61 -39.193 -4.598 18.730 1.00 51.42 N ATOM 796 CA GLU A 61 -39.502 -5.099 20.065 1.00 61.41 C ATOM 797 C GLU A 61 -40.916 -5.671 20.118 1.00 72.05 C ATOM 798 O GLU A 61 -41.194 -6.599 20.876 1.00 55.23 O ATOM 799 CB GLU A 61 -39.352 -3.983 21.100 1.00 41.23 C ATOM 800 CG GLU A 61 -40.274 -2.799 20.857 1.00 71.53 C ATOM 801 CD GLU A 61 -41.640 -2.986 21.487 1.00 4.31 C ATOM 802 OE1 GLU A 61 -41.702 -3.227 22.710 1.00 52.55 O ATOM 803 OE2 GLU A 61 -42.648 -2.888 20.756 1.00 72.21 O ATOM 0 H GLU A 61 -38.837 -3.642 18.710 1.00 51.42 H new ATOM 0 HA GLU A 61 -38.797 -5.897 20.298 1.00 61.41 H new ATOM 0 HB2 GLU A 61 -39.550 -4.390 22.092 1.00 41.23 H new ATOM 0 HB3 GLU A 61 -38.319 -3.635 21.099 1.00 41.23 H new ATOM 0 HG2 GLU A 61 -39.813 -1.896 21.258 1.00 71.53 H new ATOM 0 HG3 GLU A 61 -40.390 -2.648 19.784 1.00 71.53 H new ATOM 808 N LYS A 62 -41.806 -5.110 19.306 1.00 13.22 N ATOM 809 CA LYS A 62 -43.191 -5.562 19.258 1.00 50.23 C ATOM 810 C LYS A 62 -43.293 -6.935 18.601 1.00 15.43 C ATOM 811 O LYS A 62 -43.939 -7.840 19.127 1.00 3.45 O ATOM 812 CB LYS A 62 -44.052 -4.554 18.494 1.00 54.54 C ATOM 813 CG LYS A 62 -45.523 -4.930 18.437 1.00 34.32 C ATOM 814 CD LYS A 62 -46.110 -4.676 17.059 1.00 1.44 C ATOM 815 CE LYS A 62 -46.655 -3.260 16.938 1.00 35.01 C ATOM 816 NZ LYS A 62 -47.798 -3.025 17.863 1.00 55.44 N ATOM 0 H LYS A 62 -41.592 -4.341 18.672 1.00 13.22 H new ATOM 0 HA LYS A 62 -43.557 -5.641 20.282 1.00 50.23 H new ATOM 0 HB2 LYS A 62 -43.954 -3.575 18.964 1.00 54.54 H new ATOM 0 HB3 LYS A 62 -43.670 -4.459 17.477 1.00 54.54 H new ATOM 0 HG2 LYS A 62 -45.641 -5.982 18.695 1.00 34.32 H new ATOM 0 HG3 LYS A 62 -46.075 -4.355 19.180 1.00 34.32 H new ATOM 0 HD2 LYS A 62 -45.344 -4.838 16.300 1.00 1.44 H new ATOM 0 HD3 LYS A 62 -46.908 -5.392 16.865 1.00 1.44 H new ATOM 0 HE2 LYS A 62 -45.861 -2.545 17.153 1.00 35.01 H new ATOM 0 HE3 LYS A 62 -46.975 -3.081 15.912 1.00 35.01 H new ATOM 0 HZ1 LYS A 62 -48.629 -2.720 17.317 1.00 55.44 H new ATOM 0 HZ2 LYS A 62 -48.021 -3.905 18.370 1.00 55.44 H new ATOM 0 HZ3 LYS A 62 -47.543 -2.285 18.548 1.00 55.44 H new ATOM 826 N GLY A 63 -42.648 -7.083 17.448 1.00 74.35 N ATOM 827 CA GLY A 63 -42.678 -8.349 16.739 1.00 32.40 C ATOM 828 C GLY A 63 -41.589 -9.298 17.201 1.00 71.42 C ATOM 829 O GLY A 63 -41.357 -10.338 16.583 1.00 5.41 O ATOM 0 H GLY A 63 -42.105 -6.349 16.992 1.00 74.35 H new ATOM 0 HA2 GLY A 63 -43.651 -8.819 16.883 1.00 32.40 H new ATOM 0 HA3 GLY A 63 -42.567 -8.166 15.670 1.00 32.40 H new ATOM 832 N LYS A 64 -40.917 -8.939 18.289 1.00 55.13 N ATOM 833 CA LYS A 64 -39.846 -9.766 18.835 1.00 21.35 C ATOM 834 C LYS A 64 -40.344 -10.594 20.014 1.00 43.04 C ATOM 835 O LYS A 64 -39.578 -10.927 20.918 1.00 53.11 O ATOM 836 CB LYS A 64 -38.671 -8.890 19.273 1.00 3.35 C ATOM 837 CG LYS A 64 -37.742 -8.501 18.136 1.00 73.35 C ATOM 838 CD LYS A 64 -36.776 -9.624 17.798 1.00 71.42 C ATOM 839 CE LYS A 64 -36.814 -9.965 16.316 1.00 50.32 C ATOM 840 NZ LYS A 64 -37.712 -11.120 16.035 1.00 54.50 N ATOM 0 H LYS A 64 -41.095 -8.081 18.811 1.00 55.13 H new ATOM 0 HA LYS A 64 -39.512 -10.447 18.052 1.00 21.35 H new ATOM 0 HB2 LYS A 64 -39.059 -7.984 19.740 1.00 3.35 H new ATOM 0 HB3 LYS A 64 -38.098 -9.420 20.034 1.00 3.35 H new ATOM 0 HG2 LYS A 64 -38.331 -8.248 17.254 1.00 73.35 H new ATOM 0 HG3 LYS A 64 -37.181 -7.608 18.412 1.00 73.35 H new ATOM 0 HD2 LYS A 64 -35.764 -9.332 18.079 1.00 71.42 H new ATOM 0 HD3 LYS A 64 -37.027 -10.509 18.383 1.00 71.42 H new ATOM 0 HE2 LYS A 64 -37.153 -9.096 15.752 1.00 50.32 H new ATOM 0 HE3 LYS A 64 -35.806 -10.196 15.971 1.00 50.32 H new ATOM 0 HZ1 LYS A 64 -37.253 -11.759 15.355 1.00 54.50 H new ATOM 0 HZ2 LYS A 64 -37.903 -11.634 16.919 1.00 54.50 H new ATOM 0 HZ3 LYS A 64 -38.608 -10.774 15.635 1.00 54.50 H new ATOM 850 N ASP A 65 -41.631 -10.926 19.997 1.00 4.43 N ATOM 851 CA ASP A 65 -42.231 -11.718 21.065 1.00 25.05 C ATOM 852 C ASP A 65 -42.410 -13.168 20.628 1.00 55.44 C ATOM 853 O ASP A 65 -43.116 -13.939 21.279 1.00 21.35 O ATOM 854 CB ASP A 65 -43.579 -11.124 21.473 1.00 2.33 C ATOM 855 CG ASP A 65 -44.656 -11.359 20.431 1.00 14.12 C ATOM 856 OD1 ASP A 65 -44.478 -10.903 19.283 1.00 43.03 O ATOM 857 OD2 ASP A 65 -45.675 -11.999 20.764 1.00 32.23 O ATOM 0 H ASP A 65 -42.278 -10.659 19.255 1.00 4.43 H new ATOM 0 HA ASP A 65 -41.560 -11.696 21.923 1.00 25.05 H new ATOM 0 HB2 ASP A 65 -43.893 -11.561 22.421 1.00 2.33 H new ATOM 0 HB3 ASP A 65 -43.465 -10.053 21.638 1.00 2.33 H new ATOM 861 N ASN A 66 -41.769 -13.532 19.524 1.00 72.43 N ATOM 862 CA ASN A 66 -41.859 -14.891 19.000 1.00 71.44 C ATOM 863 C ASN A 66 -41.588 -15.917 20.096 1.00 10.43 C ATOM 864 O ASN A 66 -42.020 -17.065 20.006 1.00 11.22 O ATOM 865 CB ASN A 66 -40.869 -15.084 17.850 1.00 31.34 C ATOM 866 CG ASN A 66 -39.687 -14.136 17.939 1.00 2.50 C ATOM 867 OD1 ASN A 66 -39.367 -13.434 16.980 1.00 32.03 O ATOM 868 ND2 ASN A 66 -39.034 -14.112 19.095 1.00 40.21 N ATOM 0 H ASN A 66 -41.181 -12.906 18.974 1.00 72.43 H new ATOM 0 HA ASN A 66 -42.872 -15.042 18.628 1.00 71.44 H new ATOM 0 HB2 ASN A 66 -40.508 -16.112 17.854 1.00 31.34 H new ATOM 0 HB3 ASN A 66 -41.384 -14.931 16.901 1.00 31.34 H new ATOM 0 HD21 ASN A 66 -38.232 -13.494 19.215 1.00 40.21 H new ATOM 0 HD22 ASN A 66 -39.335 -14.712 19.863 1.00 40.21 H new ATOM 874 N ALA A 67 -40.872 -15.491 21.133 1.00 71.44 N ATOM 875 CA ALA A 67 -40.546 -16.371 22.248 1.00 74.20 C ATOM 876 C ALA A 67 -41.806 -16.979 22.854 1.00 61.10 C ATOM 877 O ALA A 67 -41.756 -18.039 23.476 1.00 72.15 O ATOM 878 CB ALA A 67 -39.761 -15.612 23.308 1.00 44.14 C ATOM 0 H ALA A 67 -40.507 -14.543 21.223 1.00 71.44 H new ATOM 0 HA ALA A 67 -39.928 -17.185 21.868 1.00 74.20 H new ATOM 0 HB1 ALA A 67 -39.524 -16.282 24.135 1.00 44.14 H new ATOM 0 HB2 ALA A 67 -38.837 -15.231 22.873 1.00 44.14 H new ATOM 0 HB3 ALA A 67 -40.359 -14.778 23.676 1.00 44.14 H new ATOM 947 N LEU A 74 -49.067 -22.589 12.931 1.00 62.50 N ATOM 948 CA LEU A 74 -48.500 -21.762 11.872 1.00 2.15 C ATOM 949 C LEU A 74 -48.280 -20.332 12.356 1.00 45.23 C ATOM 950 O LEU A 74 -47.644 -19.526 11.677 1.00 62.22 O ATOM 951 CB LEU A 74 -49.419 -21.762 10.649 1.00 11.22 C ATOM 952 CG LEU A 74 -49.847 -23.136 10.132 1.00 61.51 C ATOM 953 CD1 LEU A 74 -48.680 -24.110 10.178 1.00 12.02 C ATOM 954 CD2 LEU A 74 -51.020 -23.669 10.940 1.00 42.40 C ATOM 0 HA LEU A 74 -47.535 -22.185 11.593 1.00 2.15 H new ATOM 0 HB2 LEU A 74 -50.316 -21.192 10.893 1.00 11.22 H new ATOM 0 HB3 LEU A 74 -48.915 -21.232 9.841 1.00 11.22 H new ATOM 0 HG LEU A 74 -50.165 -23.029 9.095 1.00 61.51 H new ATOM 0 HD11 LEU A 74 -49.003 -25.083 9.806 1.00 12.02 H new ATOM 0 HD12 LEU A 74 -47.868 -23.735 9.555 1.00 12.02 H new ATOM 0 HD13 LEU A 74 -48.331 -24.212 11.206 1.00 12.02 H new ATOM 0 HD21 LEU A 74 -51.311 -24.647 10.558 1.00 42.40 H new ATOM 0 HD22 LEU A 74 -50.729 -23.760 11.987 1.00 42.40 H new ATOM 0 HD23 LEU A 74 -51.862 -22.982 10.856 1.00 42.40 H new ATOM 965 N ALA A 75 -48.809 -20.024 13.536 1.00 52.25 N ATOM 966 CA ALA A 75 -48.668 -18.693 14.113 1.00 10.04 C ATOM 967 C ALA A 75 -47.350 -18.560 14.869 1.00 60.15 C ATOM 968 O ALA A 75 -46.701 -17.514 14.825 1.00 52.43 O ATOM 969 CB ALA A 75 -49.839 -18.390 15.035 1.00 43.24 C ATOM 0 H ALA A 75 -49.339 -20.679 14.111 1.00 52.25 H new ATOM 0 HA ALA A 75 -48.665 -17.969 13.298 1.00 10.04 H new ATOM 0 HB1 ALA A 75 -49.720 -17.393 15.459 1.00 43.24 H new ATOM 0 HB2 ALA A 75 -50.769 -18.435 14.469 1.00 43.24 H new ATOM 0 HB3 ALA A 75 -49.868 -19.125 15.840 1.00 43.24 H new ATOM 975 N ASP A 76 -46.960 -19.625 15.560 1.00 31.10 N ATOM 976 CA ASP A 76 -45.718 -19.627 16.325 1.00 71.22 C ATOM 977 C ASP A 76 -44.539 -19.219 15.447 1.00 14.24 C ATOM 978 O ASP A 76 -43.684 -18.439 15.866 1.00 31.43 O ATOM 979 CB ASP A 76 -45.467 -21.011 16.927 1.00 64.41 C ATOM 980 CG ASP A 76 -44.042 -21.180 17.415 1.00 21.53 C ATOM 981 OD1 ASP A 76 -43.628 -20.419 18.315 1.00 1.13 O ATOM 982 OD2 ASP A 76 -43.341 -22.074 16.898 1.00 34.42 O ATOM 0 H ASP A 76 -47.485 -20.498 15.606 1.00 31.10 H new ATOM 0 HA ASP A 76 -45.816 -18.901 17.132 1.00 71.22 H new ATOM 0 HB2 ASP A 76 -46.154 -21.173 17.758 1.00 64.41 H new ATOM 0 HB3 ASP A 76 -45.685 -21.774 16.180 1.00 64.41 H new ATOM 986 N GLN A 77 -44.500 -19.752 14.231 1.00 54.14 N ATOM 987 CA GLN A 77 -43.424 -19.444 13.296 1.00 43.34 C ATOM 988 C GLN A 77 -43.625 -18.069 12.669 1.00 12.12 C ATOM 989 O GLN A 77 -42.677 -17.298 12.522 1.00 70.31 O ATOM 990 CB GLN A 77 -43.350 -20.511 12.202 1.00 24.10 C ATOM 991 CG GLN A 77 -43.678 -21.912 12.694 1.00 4.23 C ATOM 992 CD GLN A 77 -42.784 -22.970 12.078 1.00 52.32 C ATOM 993 OE1 GLN A 77 -42.229 -22.778 10.996 1.00 2.40 O ATOM 994 NE2 GLN A 77 -42.641 -24.097 12.767 1.00 32.15 N ATOM 0 H GLN A 77 -45.201 -20.399 13.870 1.00 54.14 H new ATOM 0 HA GLN A 77 -42.486 -19.436 13.850 1.00 43.34 H new ATOM 0 HB2 GLN A 77 -44.039 -20.246 11.400 1.00 24.10 H new ATOM 0 HB3 GLN A 77 -42.348 -20.511 11.773 1.00 24.10 H new ATOM 0 HG2 GLN A 77 -43.579 -21.945 13.779 1.00 4.23 H new ATOM 0 HG3 GLN A 77 -44.718 -22.140 12.462 1.00 4.23 H new ATOM 0 HE21 GLN A 77 -43.120 -24.213 13.660 1.00 32.15 H new ATOM 0 HE22 GLN A 77 -42.052 -24.846 12.403 1.00 32.15 H new ATOM 1001 N ALA A 78 -44.866 -17.768 12.300 1.00 3.11 N ATOM 1002 CA ALA A 78 -45.191 -16.484 11.691 1.00 22.11 C ATOM 1003 C ALA A 78 -44.456 -15.343 12.387 1.00 40.34 C ATOM 1004 O ALA A 78 -44.096 -14.349 11.756 1.00 34.12 O ATOM 1005 CB ALA A 78 -46.694 -16.248 11.729 1.00 25.31 C ATOM 0 H ALA A 78 -45.662 -18.396 12.412 1.00 3.11 H new ATOM 0 HA ALA A 78 -44.864 -16.510 10.652 1.00 22.11 H new ATOM 0 HB1 ALA A 78 -46.923 -15.286 11.271 1.00 25.31 H new ATOM 0 HB2 ALA A 78 -47.201 -17.041 11.179 1.00 25.31 H new ATOM 0 HB3 ALA A 78 -47.036 -16.248 12.764 1.00 25.31 H new ATOM 1011 N ARG A 79 -44.240 -15.494 13.689 1.00 25.13 N ATOM 1012 CA ARG A 79 -43.550 -14.475 14.472 1.00 24.51 C ATOM 1013 C ARG A 79 -42.050 -14.499 14.193 1.00 3.01 C ATOM 1014 O ARG A 79 -41.493 -13.541 13.655 1.00 34.33 O ATOM 1015 CB ARG A 79 -43.806 -14.687 15.964 1.00 14.14 C ATOM 1016 CG ARG A 79 -45.252 -15.020 16.293 1.00 22.11 C ATOM 1017 CD ARG A 79 -46.215 -14.088 15.574 1.00 50.42 C ATOM 1018 NE ARG A 79 -45.815 -12.688 15.694 1.00 14.02 N ATOM 1019 CZ ARG A 79 -46.352 -11.707 14.979 1.00 71.20 C ATOM 1020 NH1 ARG A 79 -47.307 -11.970 14.098 1.00 3.52 N ATOM 1021 NH2 ARG A 79 -45.934 -10.458 15.145 1.00 62.21 N ATOM 0 H ARG A 79 -44.532 -16.311 14.224 1.00 25.13 H new ATOM 0 HA ARG A 79 -43.941 -13.501 14.179 1.00 24.51 H new ATOM 0 HB2 ARG A 79 -43.166 -15.493 16.323 1.00 14.14 H new ATOM 0 HB3 ARG A 79 -43.517 -13.786 16.505 1.00 14.14 H new ATOM 0 HG2 ARG A 79 -45.463 -16.051 16.010 1.00 22.11 H new ATOM 0 HG3 ARG A 79 -45.408 -14.946 17.369 1.00 22.11 H new ATOM 0 HD2 ARG A 79 -46.265 -14.362 14.520 1.00 50.42 H new ATOM 0 HD3 ARG A 79 -47.217 -14.215 15.984 1.00 50.42 H new ATOM 0 HE ARG A 79 -45.083 -12.451 16.364 1.00 14.02 H new ATOM 0 HH11 ARG A 79 -47.631 -12.928 13.968 1.00 3.52 H new ATOM 0 HH12 ARG A 79 -47.718 -11.214 13.550 1.00 3.52 H new ATOM 0 HH21 ARG A 79 -45.200 -10.252 15.822 1.00 62.21 H new ATOM 0 HH22 ARG A 79 -46.347 -9.705 14.595 1.00 62.21 H new ATOM 1032 N ASP A 80 -41.402 -15.598 14.562 1.00 62.12 N ATOM 1033 CA ASP A 80 -39.967 -15.748 14.352 1.00 0.51 C ATOM 1034 C ASP A 80 -39.655 -15.979 12.877 1.00 4.11 C ATOM 1035 O ASP A 80 -38.811 -15.295 12.295 1.00 54.23 O ATOM 1036 CB ASP A 80 -39.425 -16.908 15.189 1.00 25.03 C ATOM 1037 CG ASP A 80 -38.100 -16.578 15.847 1.00 25.24 C ATOM 1038 OD1 ASP A 80 -37.430 -15.628 15.390 1.00 63.43 O ATOM 1039 OD2 ASP A 80 -37.733 -17.269 16.820 1.00 2.41 O ATOM 0 H ASP A 80 -41.848 -16.399 15.009 1.00 62.12 H new ATOM 0 HA ASP A 80 -39.480 -14.825 14.668 1.00 0.51 H new ATOM 0 HB2 ASP A 80 -40.153 -17.170 15.957 1.00 25.03 H new ATOM 0 HB3 ASP A 80 -39.303 -17.785 14.553 1.00 25.03 H new ATOM 1043 N TYR A 81 -40.340 -16.945 12.277 1.00 74.55 N ATOM 1044 CA TYR A 81 -40.134 -17.270 10.870 1.00 54.20 C ATOM 1045 C TYR A 81 -40.030 -16.001 10.029 1.00 70.35 C ATOM 1046 O TYR A 81 -38.993 -15.725 9.428 1.00 14.23 O ATOM 1047 CB TYR A 81 -41.276 -18.146 10.355 1.00 30.51 C ATOM 1048 CG TYR A 81 -40.890 -19.015 9.179 1.00 34.53 C ATOM 1049 CD1 TYR A 81 -39.720 -19.765 9.200 1.00 23.41 C ATOM 1050 CD2 TYR A 81 -41.694 -19.088 8.049 1.00 31.03 C ATOM 1051 CE1 TYR A 81 -39.362 -20.560 8.127 1.00 11.43 C ATOM 1052 CE2 TYR A 81 -41.345 -19.880 6.972 1.00 54.21 C ATOM 1053 CZ TYR A 81 -40.178 -20.615 7.017 1.00 24.24 C ATOM 1054 OH TYR A 81 -39.826 -21.406 5.947 1.00 31.04 O ATOM 0 H TYR A 81 -41.044 -17.518 12.743 1.00 74.55 H new ATOM 0 HA TYR A 81 -39.197 -17.820 10.783 1.00 54.20 H new ATOM 0 HB2 TYR A 81 -41.628 -18.783 11.166 1.00 30.51 H new ATOM 0 HB3 TYR A 81 -42.111 -17.507 10.066 1.00 30.51 H new ATOM 0 HD1 TYR A 81 -39.080 -19.726 10.069 1.00 23.41 H new ATOM 0 HD2 TYR A 81 -42.609 -18.515 8.011 1.00 31.03 H new ATOM 0 HE1 TYR A 81 -38.448 -21.135 8.158 1.00 11.43 H new ATOM 0 HE2 TYR A 81 -41.981 -19.924 6.101 1.00 54.21 H new ATOM 0 HH TYR A 81 -40.509 -21.333 5.248 1.00 31.04 H new ATOM 1063 N MET A 82 -41.115 -15.234 9.991 1.00 14.14 N ATOM 1064 CA MET A 82 -41.147 -13.994 9.225 1.00 43.14 C ATOM 1065 C MET A 82 -39.892 -13.166 9.479 1.00 3.04 C ATOM 1066 O MET A 82 -39.401 -12.476 8.587 1.00 10.12 O ATOM 1067 CB MET A 82 -42.391 -13.180 9.585 1.00 3.33 C ATOM 1068 CG MET A 82 -42.238 -12.368 10.861 1.00 21.35 C ATOM 1069 SD MET A 82 -41.662 -10.688 10.551 1.00 34.51 S ATOM 1070 CE MET A 82 -43.132 -9.746 10.947 1.00 40.00 C ATOM 0 H MET A 82 -41.983 -15.450 10.482 1.00 14.14 H new ATOM 0 HA MET A 82 -41.183 -14.250 8.166 1.00 43.14 H new ATOM 0 HB2 MET A 82 -42.625 -12.506 8.761 1.00 3.33 H new ATOM 0 HB3 MET A 82 -43.239 -13.856 9.694 1.00 3.33 H new ATOM 0 HG2 MET A 82 -43.196 -12.329 11.379 1.00 21.35 H new ATOM 0 HG3 MET A 82 -41.536 -12.872 11.525 1.00 21.35 H new ATOM 0 HE1 MET A 82 -42.933 -8.684 10.804 1.00 40.00 H new ATOM 0 HE2 MET A 82 -43.948 -10.054 10.294 1.00 40.00 H new ATOM 0 HE3 MET A 82 -43.411 -9.926 11.985 1.00 40.00 H new ATOM 1078 N GLY A 83 -39.376 -13.239 10.703 1.00 63.13 N ATOM 1079 CA GLY A 83 -38.183 -12.491 11.052 1.00 61.03 C ATOM 1080 C GLY A 83 -36.919 -13.130 10.511 1.00 15.32 C ATOM 1081 O GLY A 83 -36.202 -12.526 9.715 1.00 63.31 O ATOM 0 H GLY A 83 -39.764 -13.803 11.459 1.00 63.13 H new ATOM 0 HA2 GLY A 83 -38.268 -11.476 10.664 1.00 61.03 H new ATOM 0 HA3 GLY A 83 -38.111 -12.413 12.137 1.00 61.03 H new ATOM 1084 N ALA A 84 -36.645 -14.356 10.946 1.00 11.32 N ATOM 1085 CA ALA A 84 -35.459 -15.077 10.501 1.00 44.44 C ATOM 1086 C ALA A 84 -35.370 -15.098 8.979 1.00 33.53 C ATOM 1087 O ALA A 84 -34.289 -15.263 8.414 1.00 50.13 O ATOM 1088 CB ALA A 84 -35.468 -16.495 11.052 1.00 65.53 C ATOM 0 H ALA A 84 -37.228 -14.870 11.606 1.00 11.32 H new ATOM 0 HA ALA A 84 -34.581 -14.556 10.883 1.00 44.44 H new ATOM 0 HB1 ALA A 84 -34.577 -17.023 10.712 1.00 65.53 H new ATOM 0 HB2 ALA A 84 -35.477 -16.462 12.141 1.00 65.53 H new ATOM 0 HB3 ALA A 84 -36.357 -17.017 10.697 1.00 65.53 H new ATOM 1094 N ALA A 85 -36.512 -14.931 8.321 1.00 72.23 N ATOM 1095 CA ALA A 85 -36.561 -14.930 6.865 1.00 60.54 C ATOM 1096 C ALA A 85 -36.065 -13.603 6.299 1.00 70.11 C ATOM 1097 O ALA A 85 -34.945 -13.511 5.796 1.00 11.42 O ATOM 1098 CB ALA A 85 -37.977 -15.215 6.383 1.00 3.34 C ATOM 0 H ALA A 85 -37.416 -14.795 8.774 1.00 72.23 H new ATOM 0 HA ALA A 85 -35.901 -15.719 6.504 1.00 60.54 H new ATOM 0 HB1 ALA A 85 -37.998 -15.211 5.293 1.00 3.34 H new ATOM 0 HB2 ALA A 85 -38.296 -16.191 6.749 1.00 3.34 H new ATOM 0 HB3 ALA A 85 -38.652 -14.447 6.762 1.00 3.34 H new ATOM 1104 N LYS A 86 -36.905 -12.578 6.385 1.00 63.25 N ATOM 1105 CA LYS A 86 -36.553 -11.255 5.882 1.00 71.31 C ATOM 1106 C LYS A 86 -35.247 -10.769 6.502 1.00 25.12 C ATOM 1107 O LYS A 86 -34.430 -10.136 5.833 1.00 14.24 O ATOM 1108 CB LYS A 86 -37.675 -10.258 6.182 1.00 22.44 C ATOM 1109 CG LYS A 86 -37.488 -8.911 5.503 1.00 74.14 C ATOM 1110 CD LYS A 86 -36.886 -7.888 6.452 1.00 71.32 C ATOM 1111 CE LYS A 86 -37.065 -6.471 5.929 1.00 60.32 C ATOM 1112 NZ LYS A 86 -38.430 -5.946 6.205 1.00 71.24 N ATOM 0 H LYS A 86 -37.835 -12.638 6.799 1.00 63.25 H new ATOM 0 HA LYS A 86 -36.418 -11.327 4.803 1.00 71.31 H new ATOM 0 HB2 LYS A 86 -38.626 -10.687 5.865 1.00 22.44 H new ATOM 0 HB3 LYS A 86 -37.737 -10.107 7.260 1.00 22.44 H new ATOM 0 HG2 LYS A 86 -36.841 -9.027 4.634 1.00 74.14 H new ATOM 0 HG3 LYS A 86 -38.450 -8.549 5.139 1.00 74.14 H new ATOM 0 HD2 LYS A 86 -37.356 -7.978 7.431 1.00 71.32 H new ATOM 0 HD3 LYS A 86 -35.825 -8.096 6.587 1.00 71.32 H new ATOM 0 HE2 LYS A 86 -36.325 -5.818 6.390 1.00 60.32 H new ATOM 0 HE3 LYS A 86 -36.880 -6.454 4.855 1.00 60.32 H new ATOM 0 HZ1 LYS A 86 -38.511 -4.978 5.833 1.00 71.24 H new ATOM 0 HZ2 LYS A 86 -39.136 -6.555 5.744 1.00 71.24 H new ATOM 0 HZ3 LYS A 86 -38.598 -5.938 7.231 1.00 71.24 H new ATOM 1122 N SER A 87 -35.056 -11.068 7.783 1.00 62.14 N ATOM 1123 CA SER A 87 -33.850 -10.659 8.493 1.00 71.24 C ATOM 1124 C SER A 87 -32.618 -11.345 7.910 1.00 50.30 C ATOM 1125 O SER A 87 -31.742 -10.693 7.341 1.00 53.02 O ATOM 1126 CB SER A 87 -33.974 -10.987 9.982 1.00 41.03 C ATOM 1127 OG SER A 87 -33.060 -10.224 10.749 1.00 11.52 O ATOM 0 H SER A 87 -35.722 -11.592 8.351 1.00 62.14 H new ATOM 0 HA SER A 87 -33.735 -9.582 8.374 1.00 71.24 H new ATOM 0 HB2 SER A 87 -34.991 -10.787 10.318 1.00 41.03 H new ATOM 0 HB3 SER A 87 -33.789 -12.049 10.140 1.00 41.03 H new ATOM 0 HG SER A 87 -32.319 -9.931 10.178 1.00 11.52 H new ATOM 1132 N LYS A 88 -32.558 -12.664 8.056 1.00 71.22 N ATOM 1133 CA LYS A 88 -31.435 -13.440 7.544 1.00 33.21 C ATOM 1134 C LYS A 88 -31.343 -13.329 6.026 1.00 41.15 C ATOM 1135 O LYS A 88 -30.269 -13.090 5.473 1.00 15.43 O ATOM 1136 CB LYS A 88 -31.576 -14.909 7.950 1.00 15.41 C ATOM 1137 CG LYS A 88 -30.248 -15.599 8.209 1.00 4.10 C ATOM 1138 CD LYS A 88 -30.245 -17.020 7.672 1.00 33.41 C ATOM 1139 CE LYS A 88 -30.057 -17.044 6.162 1.00 43.05 C ATOM 1140 NZ LYS A 88 -28.618 -17.033 5.781 1.00 43.42 N ATOM 0 H LYS A 88 -33.274 -13.218 8.525 1.00 71.22 H new ATOM 0 HA LYS A 88 -30.520 -13.035 7.976 1.00 33.21 H new ATOM 0 HB2 LYS A 88 -32.190 -14.971 8.849 1.00 15.41 H new ATOM 0 HB3 LYS A 88 -32.107 -15.445 7.164 1.00 15.41 H new ATOM 0 HG2 LYS A 88 -29.444 -15.031 7.741 1.00 4.10 H new ATOM 0 HG3 LYS A 88 -30.047 -15.613 9.280 1.00 4.10 H new ATOM 0 HD2 LYS A 88 -29.446 -17.589 8.148 1.00 33.41 H new ATOM 0 HD3 LYS A 88 -31.184 -17.510 7.931 1.00 33.41 H new ATOM 0 HE2 LYS A 88 -30.534 -17.933 5.751 1.00 43.05 H new ATOM 0 HE3 LYS A 88 -30.556 -16.181 5.720 1.00 43.05 H new ATOM 0 HZ1 LYS A 88 -28.533 -16.981 4.746 1.00 43.42 H new ATOM 0 HZ2 LYS A 88 -28.152 -16.207 6.208 1.00 43.42 H new ATOM 0 HZ3 LYS A 88 -28.162 -17.903 6.123 1.00 43.42 H new ATOM 1150 N LEU A 89 -32.478 -13.501 5.355 1.00 31.51 N ATOM 1151 CA LEU A 89 -32.526 -13.419 3.899 1.00 12.34 C ATOM 1152 C LEU A 89 -31.986 -12.078 3.412 1.00 2.14 C ATOM 1153 O LEU A 89 -31.160 -12.024 2.502 1.00 32.30 O ATOM 1154 CB LEU A 89 -33.961 -13.614 3.405 1.00 31.13 C ATOM 1155 CG LEU A 89 -34.140 -13.715 1.890 1.00 75.13 C ATOM 1156 CD1 LEU A 89 -33.021 -14.541 1.273 1.00 4.53 C ATOM 1157 CD2 LEU A 89 -35.497 -14.316 1.553 1.00 55.02 C ATOM 0 H LEU A 89 -33.376 -13.698 5.796 1.00 31.51 H new ATOM 0 HA LEU A 89 -31.898 -14.212 3.493 1.00 12.34 H new ATOM 0 HB2 LEU A 89 -34.361 -14.521 3.859 1.00 31.13 H new ATOM 0 HB3 LEU A 89 -34.565 -12.783 3.768 1.00 31.13 H new ATOM 0 HG LEU A 89 -34.095 -12.710 1.470 1.00 75.13 H new ATOM 0 HD11 LEU A 89 -33.166 -14.602 0.194 1.00 4.53 H new ATOM 0 HD12 LEU A 89 -32.061 -14.069 1.484 1.00 4.53 H new ATOM 0 HD13 LEU A 89 -33.033 -15.545 1.698 1.00 4.53 H new ATOM 0 HD21 LEU A 89 -35.608 -14.381 0.471 1.00 55.02 H new ATOM 0 HD22 LEU A 89 -35.571 -15.314 1.985 1.00 55.02 H new ATOM 0 HD23 LEU A 89 -36.286 -13.685 1.961 1.00 55.02 H new ATOM 1168 N ASN A 90 -32.458 -10.998 4.026 1.00 44.02 N ATOM 1169 CA ASN A 90 -32.021 -9.657 3.655 1.00 3.32 C ATOM 1170 C ASN A 90 -30.620 -9.374 4.188 1.00 71.41 C ATOM 1171 O ASN A 90 -29.770 -8.838 3.475 1.00 50.14 O ATOM 1172 CB ASN A 90 -33.002 -8.611 4.192 1.00 71.32 C ATOM 1173 CG ASN A 90 -32.900 -7.290 3.454 1.00 74.14 C ATOM 1174 OD1 ASN A 90 -32.074 -6.442 3.789 1.00 2.20 O ATOM 1175 ND2 ASN A 90 -33.742 -7.111 2.442 1.00 53.41 N ATOM 0 H ASN A 90 -33.142 -11.025 4.782 1.00 44.02 H new ATOM 0 HA ASN A 90 -31.996 -9.599 2.567 1.00 3.32 H new ATOM 0 HB2 ASN A 90 -34.019 -8.994 4.108 1.00 71.32 H new ATOM 0 HB3 ASN A 90 -32.810 -8.447 5.252 1.00 71.32 H new ATOM 0 HD21 ASN A 90 -33.720 -6.243 1.908 1.00 53.41 H new ATOM 0 HD22 ASN A 90 -34.411 -7.842 2.199 1.00 53.41 H new ATOM 1181 N ASP A 91 -30.384 -9.741 5.442 1.00 5.55 N ATOM 1182 CA ASP A 91 -29.085 -9.529 6.070 1.00 11.33 C ATOM 1183 C ASP A 91 -28.030 -10.444 5.458 1.00 41.21 C ATOM 1184 O ASP A 91 -26.836 -10.148 5.502 1.00 4.23 O ATOM 1185 CB ASP A 91 -29.178 -9.773 7.577 1.00 31.11 C ATOM 1186 CG ASP A 91 -30.060 -8.757 8.277 1.00 64.44 C ATOM 1187 OD1 ASP A 91 -30.303 -7.680 7.691 1.00 52.25 O ATOM 1188 OD2 ASP A 91 -30.508 -9.039 9.407 1.00 72.32 O ATOM 0 H ASP A 91 -31.076 -10.187 6.045 1.00 5.55 H new ATOM 0 HA ASP A 91 -28.788 -8.495 5.895 1.00 11.33 H new ATOM 0 HB2 ASP A 91 -29.570 -10.774 7.756 1.00 31.11 H new ATOM 0 HB3 ASP A 91 -28.178 -9.740 8.009 1.00 31.11 H new ATOM 1192 N ALA A 92 -28.479 -11.557 4.887 1.00 11.43 N ATOM 1193 CA ALA A 92 -27.573 -12.515 4.265 1.00 52.44 C ATOM 1194 C ALA A 92 -27.424 -12.240 2.773 1.00 43.43 C ATOM 1195 O ALA A 92 -26.372 -12.494 2.186 1.00 62.02 O ATOM 1196 CB ALA A 92 -28.069 -13.936 4.495 1.00 5.54 C ATOM 0 H ALA A 92 -29.464 -11.817 4.842 1.00 11.43 H new ATOM 0 HA ALA A 92 -26.592 -12.404 4.728 1.00 52.44 H new ATOM 0 HB1 ALA A 92 -27.383 -14.641 4.025 1.00 5.54 H new ATOM 0 HB2 ALA A 92 -28.118 -14.136 5.565 1.00 5.54 H new ATOM 0 HB3 ALA A 92 -29.062 -14.050 4.059 1.00 5.54 H new ATOM 1202 N VAL A 93 -28.485 -11.721 2.162 1.00 3.44 N ATOM 1203 CA VAL A 93 -28.472 -11.411 0.738 1.00 61.03 C ATOM 1204 C VAL A 93 -28.316 -9.913 0.502 1.00 11.21 C ATOM 1205 O VAL A 93 -27.307 -9.462 -0.039 1.00 41.23 O ATOM 1206 CB VAL A 93 -29.760 -11.896 0.046 1.00 34.34 C ATOM 1207 CG1 VAL A 93 -29.721 -11.575 -1.441 1.00 74.21 C ATOM 1208 CG2 VAL A 93 -29.956 -13.388 0.273 1.00 23.40 C ATOM 0 H VAL A 93 -29.365 -11.507 2.632 1.00 3.44 H new ATOM 0 HA VAL A 93 -27.618 -11.934 0.309 1.00 61.03 H new ATOM 0 HB VAL A 93 -30.608 -11.370 0.484 1.00 34.34 H new ATOM 0 HG11 VAL A 93 -30.639 -11.925 -1.913 1.00 74.21 H new ATOM 0 HG12 VAL A 93 -29.630 -10.497 -1.578 1.00 74.21 H new ATOM 0 HG13 VAL A 93 -28.866 -12.072 -1.898 1.00 74.21 H new ATOM 0 HG21 VAL A 93 -30.870 -13.714 -0.222 1.00 23.40 H new ATOM 0 HG22 VAL A 93 -29.106 -13.933 -0.138 1.00 23.40 H new ATOM 0 HG23 VAL A 93 -30.032 -13.586 1.342 1.00 23.40 H new ATOM 1218 N GLU A 94 -29.321 -9.147 0.914 1.00 0.41 N ATOM 1219 CA GLU A 94 -29.295 -7.698 0.747 1.00 14.11 C ATOM 1220 C GLU A 94 -27.991 -7.113 1.281 1.00 3.41 C ATOM 1221 O GLU A 94 -27.397 -6.228 0.665 1.00 13.22 O ATOM 1222 CB GLU A 94 -30.486 -7.058 1.465 1.00 65.40 C ATOM 1223 CG GLU A 94 -31.175 -5.976 0.652 1.00 3.14 C ATOM 1224 CD GLU A 94 -32.389 -6.492 -0.098 1.00 11.14 C ATOM 1225 OE1 GLU A 94 -32.352 -7.653 -0.554 1.00 70.25 O ATOM 1226 OE2 GLU A 94 -33.373 -5.735 -0.228 1.00 12.42 O ATOM 0 H GLU A 94 -30.163 -9.505 1.365 1.00 0.41 H new ATOM 0 HA GLU A 94 -29.362 -7.479 -0.319 1.00 14.11 H new ATOM 0 HB2 GLU A 94 -31.211 -7.834 1.711 1.00 65.40 H new ATOM 0 HB3 GLU A 94 -30.145 -6.631 2.408 1.00 65.40 H new ATOM 0 HG2 GLU A 94 -31.480 -5.167 1.316 1.00 3.14 H new ATOM 0 HG3 GLU A 94 -30.465 -5.554 -0.060 1.00 3.14 H new ATOM 1231 N TYR A 95 -27.553 -7.612 2.431 1.00 34.44 N ATOM 1232 CA TYR A 95 -26.321 -7.137 3.051 1.00 53.32 C ATOM 1233 C TYR A 95 -25.099 -7.709 2.339 1.00 14.04 C ATOM 1234 O TYR A 95 -24.190 -6.973 1.953 1.00 11.31 O ATOM 1235 CB TYR A 95 -26.289 -7.521 4.532 1.00 25.31 C ATOM 1236 CG TYR A 95 -25.109 -6.946 5.281 1.00 75.53 C ATOM 1237 CD1 TYR A 95 -23.884 -7.603 5.295 1.00 5.15 C ATOM 1238 CD2 TYR A 95 -25.218 -5.747 5.974 1.00 23.43 C ATOM 1239 CE1 TYR A 95 -22.802 -7.081 5.978 1.00 12.44 C ATOM 1240 CE2 TYR A 95 -24.141 -5.218 6.659 1.00 63.02 C ATOM 1241 CZ TYR A 95 -22.936 -5.888 6.659 1.00 60.14 C ATOM 1242 OH TYR A 95 -21.861 -5.365 7.340 1.00 31.13 O ATOM 0 H TYR A 95 -28.032 -8.345 2.953 1.00 34.44 H new ATOM 0 HA TYR A 95 -26.295 -6.051 2.964 1.00 53.32 H new ATOM 0 HB2 TYR A 95 -27.210 -7.182 5.007 1.00 25.31 H new ATOM 0 HB3 TYR A 95 -26.268 -8.608 4.617 1.00 25.31 H new ATOM 0 HD1 TYR A 95 -23.776 -8.537 4.763 1.00 5.15 H new ATOM 0 HD2 TYR A 95 -26.160 -5.219 5.977 1.00 23.43 H new ATOM 0 HE1 TYR A 95 -21.857 -7.604 5.979 1.00 12.44 H new ATOM 0 HE2 TYR A 95 -24.243 -4.284 7.192 1.00 63.02 H new ATOM 0 HH TYR A 95 -22.122 -4.521 7.764 1.00 31.13 H new ATOM 1251 N VAL A 96 -25.082 -9.027 2.170 1.00 44.04 N ATOM 1252 CA VAL A 96 -23.973 -9.699 1.503 1.00 4.14 C ATOM 1253 C VAL A 96 -24.106 -9.606 -0.013 1.00 10.13 C ATOM 1254 O VAL A 96 -23.301 -8.953 -0.678 1.00 75.34 O ATOM 1255 CB VAL A 96 -23.889 -11.181 1.910 1.00 54.14 C ATOM 1256 CG1 VAL A 96 -22.561 -11.781 1.472 1.00 43.52 C ATOM 1257 CG2 VAL A 96 -24.082 -11.333 3.412 1.00 40.01 C ATOM 0 H VAL A 96 -25.824 -9.651 2.486 1.00 44.04 H new ATOM 0 HA VAL A 96 -23.061 -9.192 1.816 1.00 4.14 H new ATOM 0 HB VAL A 96 -24.689 -11.724 1.407 1.00 54.14 H new ATOM 0 HG11 VAL A 96 -22.520 -12.829 1.768 1.00 43.52 H new ATOM 0 HG12 VAL A 96 -22.468 -11.706 0.389 1.00 43.52 H new ATOM 0 HG13 VAL A 96 -21.743 -11.238 1.945 1.00 43.52 H new ATOM 0 HG21 VAL A 96 -24.020 -12.387 3.682 1.00 40.01 H new ATOM 0 HG22 VAL A 96 -23.305 -10.777 3.937 1.00 40.01 H new ATOM 0 HG23 VAL A 96 -25.060 -10.943 3.694 1.00 40.01 H new ATOM 1267 N SER A 97 -25.127 -10.263 -0.554 1.00 32.11 N ATOM 1268 CA SER A 97 -25.363 -10.258 -1.992 1.00 31.00 C ATOM 1269 C SER A 97 -25.391 -8.831 -2.534 1.00 54.45 C ATOM 1270 O SER A 97 -25.053 -8.588 -3.690 1.00 31.43 O ATOM 1271 CB SER A 97 -26.681 -10.964 -2.317 1.00 33.22 C ATOM 1272 OG SER A 97 -26.683 -11.455 -3.647 1.00 13.53 O ATOM 0 H SER A 97 -25.804 -10.806 -0.017 1.00 32.11 H new ATOM 0 HA SER A 97 -24.544 -10.794 -2.471 1.00 31.00 H new ATOM 0 HB2 SER A 97 -26.836 -11.789 -1.621 1.00 33.22 H new ATOM 0 HB3 SER A 97 -27.511 -10.271 -2.181 1.00 33.22 H new ATOM 0 HG SER A 97 -27.535 -11.903 -3.829 1.00 13.53 H new ATOM 1277 N GLY A 98 -25.798 -7.892 -1.685 1.00 62.22 N ATOM 1278 CA GLY A 98 -25.864 -6.501 -2.096 1.00 54.10 C ATOM 1279 C GLY A 98 -24.511 -5.819 -2.052 1.00 55.41 C ATOM 1280 O GLY A 98 -24.232 -4.927 -2.851 1.00 20.43 O ATOM 0 H GLY A 98 -26.083 -8.069 -0.722 1.00 62.22 H new ATOM 0 HA2 GLY A 98 -26.264 -6.443 -3.108 1.00 54.10 H new ATOM 0 HA3 GLY A 98 -26.558 -5.966 -1.448 1.00 54.10 H new ATOM 1283 N ARG A 99 -23.669 -6.239 -1.112 1.00 31.31 N ATOM 1284 CA ARG A 99 -22.339 -5.661 -0.965 1.00 43.43 C ATOM 1285 C ARG A 99 -21.386 -6.212 -2.021 1.00 14.41 C ATOM 1286 O ARG A 99 -20.458 -5.528 -2.454 1.00 15.21 O ATOM 1287 CB ARG A 99 -21.788 -5.945 0.434 1.00 0.12 C ATOM 1288 CG ARG A 99 -22.109 -4.860 1.448 1.00 24.15 C ATOM 1289 CD ARG A 99 -21.255 -4.994 2.699 1.00 62.44 C ATOM 1290 NE ARG A 99 -21.443 -3.872 3.614 1.00 44.35 N ATOM 1291 CZ ARG A 99 -20.673 -3.650 4.673 1.00 11.01 C ATOM 1292 NH1 ARG A 99 -19.666 -4.468 4.948 1.00 43.04 N ATOM 1293 NH2 ARG A 99 -20.908 -2.608 5.459 1.00 11.30 N ATOM 0 H ARG A 99 -23.885 -6.977 -0.442 1.00 31.31 H new ATOM 0 HA ARG A 99 -22.422 -4.583 -1.103 1.00 43.43 H new ATOM 0 HB2 ARG A 99 -22.193 -6.893 0.789 1.00 0.12 H new ATOM 0 HB3 ARG A 99 -20.706 -6.063 0.372 1.00 0.12 H new ATOM 0 HG2 ARG A 99 -21.946 -3.881 0.998 1.00 24.15 H new ATOM 0 HG3 ARG A 99 -23.163 -4.914 1.719 1.00 24.15 H new ATOM 0 HD2 ARG A 99 -21.504 -5.924 3.210 1.00 62.44 H new ATOM 0 HD3 ARG A 99 -20.205 -5.058 2.415 1.00 62.44 H new ATOM 0 HE ARG A 99 -22.208 -3.223 3.430 1.00 44.35 H new ATOM 0 HH11 ARG A 99 -19.481 -5.270 4.345 1.00 43.04 H new ATOM 0 HH12 ARG A 99 -19.076 -4.295 5.762 1.00 43.04 H new ATOM 0 HH21 ARG A 99 -21.681 -1.976 5.250 1.00 11.30 H new ATOM 0 HH22 ARG A 99 -20.316 -2.439 6.272 1.00 11.30 H new ATOM 1304 N VAL A 100 -21.620 -7.455 -2.431 1.00 51.43 N ATOM 1305 CA VAL A 100 -20.784 -8.099 -3.436 1.00 50.32 C ATOM 1306 C VAL A 100 -21.168 -7.650 -4.841 1.00 44.30 C ATOM 1307 O VAL A 100 -20.363 -7.720 -5.770 1.00 31.01 O ATOM 1308 CB VAL A 100 -20.888 -9.634 -3.354 1.00 43.22 C ATOM 1309 CG1 VAL A 100 -19.992 -10.286 -4.395 1.00 60.41 C ATOM 1310 CG2 VAL A 100 -20.535 -10.117 -1.955 1.00 74.21 C ATOM 0 H VAL A 100 -22.382 -8.036 -2.082 1.00 51.43 H new ATOM 0 HA VAL A 100 -19.756 -7.800 -3.230 1.00 50.32 H new ATOM 0 HB VAL A 100 -21.918 -9.924 -3.564 1.00 43.22 H new ATOM 0 HG11 VAL A 100 -20.079 -11.370 -4.322 1.00 60.41 H new ATOM 0 HG12 VAL A 100 -20.297 -9.964 -5.391 1.00 60.41 H new ATOM 0 HG13 VAL A 100 -18.957 -9.992 -4.220 1.00 60.41 H new ATOM 0 HG21 VAL A 100 -20.614 -11.203 -1.915 1.00 74.21 H new ATOM 0 HG22 VAL A 100 -19.515 -9.818 -1.713 1.00 74.21 H new ATOM 0 HG23 VAL A 100 -21.223 -9.676 -1.234 1.00 74.21 H new ATOM 1320 N HIS A 101 -22.405 -7.185 -4.990 1.00 61.44 N ATOM 1321 CA HIS A 101 -22.896 -6.722 -6.284 1.00 43.40 C ATOM 1322 C HIS A 101 -21.943 -5.699 -6.893 1.00 34.13 C ATOM 1323 O HIS A 101 -21.806 -5.612 -8.113 1.00 54.24 O ATOM 1324 CB HIS A 101 -24.290 -6.110 -6.134 1.00 75.22 C ATOM 1325 CG HIS A 101 -25.109 -6.172 -7.387 1.00 11.44 C ATOM 1326 ND1 HIS A 101 -25.053 -5.206 -8.369 1.00 21.22 N ATOM 1327 CD2 HIS A 101 -26.005 -7.090 -7.815 1.00 54.24 C ATOM 1328 CE1 HIS A 101 -25.881 -5.528 -9.348 1.00 14.24 C ATOM 1329 NE2 HIS A 101 -26.471 -6.668 -9.036 1.00 13.42 N ATOM 0 H HIS A 101 -23.085 -7.119 -4.232 1.00 61.44 H new ATOM 0 HA HIS A 101 -22.953 -7.582 -6.952 1.00 43.40 H new ATOM 0 HB2 HIS A 101 -24.822 -6.629 -5.336 1.00 75.22 H new ATOM 0 HB3 HIS A 101 -24.190 -5.069 -5.826 1.00 75.22 H new ATOM 0 HD2 HIS A 101 -26.300 -7.989 -7.293 1.00 54.24 H new ATOM 0 HE1 HIS A 101 -26.047 -4.956 -10.249 1.00 14.24 H new ATOM 0 HE2 HIS A 101 -27.160 -7.155 -9.609 1.00 13.42 H new