USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 726 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: B 74 ASN : amide:sc= 0.0482 K(o=-0.13,f=-2.9!) USER MOD Set 1.2: B 77 THR OG1 : rot -179:sc= -0.179 USER MOD Set 2.1: B 59 LYS NZ :NH3+ 176:sc= 0.462 (180deg=-0.141) USER MOD Set 2.2: B 62 GLN : amide:sc= -0.834 K(o=-0.37,f=-1.2) USER MOD Single : B 9 MET CE :methyl -134:sc= -0.295 (180deg=-1.01) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0.0101 USER MOD Single : B 11 LYS NZ :NH3+ 160:sc= 1.84 (180deg=1.27) USER MOD Single : B 16 ASN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : B 17 SER OG : rot 80:sc= 1.04 USER MOD Single : B 18 MET CE :methyl -164:sc= 0 (180deg=-0.24) USER MOD Single : B 19 THR OG1 : rot -89:sc= -0.424! USER MOD Single : B 28 LYS NZ :NH3+ -165:sc= -0.0437 (180deg=-0.245) USER MOD Single : B 32 GLN : amide:sc=-8.07e-05 K(o=-8.1e-05,f=-0.75) USER MOD Single : B 37 LYS NZ :NH3+ 171:sc= -0.0131 (180deg=-0.119) USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 LYS NZ :NH3+ -172:sc=-0.00391 (180deg=-0.0786) USER MOD Single : B 45 MET CE :methyl -165:sc= -0.396 (180deg=-1.21) USER MOD Single : B 46 THR OG1 : rot 180:sc= 0.131 USER MOD Single : B 47 TYR OH : rot -120:sc= 1.25 USER MOD Single : B 49 GLN : amide:sc= -1.16 K(o=-1.2,f=-3.8!) USER MOD Single : B 52 THR OG1 : rot -37:sc= 0.12 USER MOD Single : B 57 SER OG : rot -93:sc= 1.27 USER MOD Single : B 58 THR OG1 : rot 166:sc= -2.59! USER MOD Single : B 60 LYS NZ :NH3+ -129:sc= 1.65 (180deg=-0.202) USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 68 SER OG : rot -26:sc= 0.144 USER MOD Single : B 69 MET CE :methyl 179:sc= -0.662 (180deg=-0.666) USER MOD Single : B 72 LYS NZ :NH3+ 154:sc= 1.2 (180deg=0.714) USER MOD Single : B 75 SER OG : rot 180:sc= 0 USER MOD Single : B 80 THR OG1 : rot 73:sc= 0.185 USER MOD Single : B 84 SER OG : rot 63:sc= 1.23 USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 96 LYS NZ :NH3+ -174:sc= 1.04 (180deg=1.03) USER MOD Single : B 97 HIS : no HD1:sc= -2.64 X(o=-2.6,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 334 N GLU B 8 13.236 -1.888 2.121 1.00 0.00 N ATOM 335 CA GLU B 8 12.419 -0.699 2.267 1.00 0.00 C ATOM 336 C GLU B 8 12.130 -0.096 0.901 1.00 0.00 C ATOM 337 O GLU B 8 13.037 0.125 0.095 1.00 0.00 O ATOM 338 CB GLU B 8 13.104 0.335 3.160 1.00 0.00 C ATOM 339 CG GLU B 8 12.308 1.622 3.306 1.00 0.00 C ATOM 340 CD GLU B 8 12.997 2.637 4.190 1.00 0.00 C ATOM 341 OE1 GLU B 8 12.524 2.867 5.323 1.00 0.00 O ATOM 342 OE2 GLU B 8 14.016 3.211 3.761 1.00 0.00 O1- ATOM 0 HA GLU B 8 11.481 -0.988 2.740 1.00 0.00 H new ATOM 0 HB2 GLU B 8 13.267 -0.098 4.147 1.00 0.00 H new ATOM 0 HB3 GLU B 8 14.086 0.568 2.748 1.00 0.00 H new ATOM 0 HG2 GLU B 8 12.144 2.057 2.320 1.00 0.00 H new ATOM 0 HG3 GLU B 8 11.326 1.392 3.720 1.00 0.00 H new ATOM 349 N MET B 9 10.863 0.156 0.652 1.00 0.00 N ATOM 350 CA MET B 9 10.419 0.716 -0.609 1.00 0.00 C ATOM 351 C MET B 9 10.156 2.203 -0.451 1.00 0.00 C ATOM 352 O MET B 9 9.973 2.689 0.661 1.00 0.00 O ATOM 353 CB MET B 9 9.146 0.008 -1.085 1.00 0.00 C ATOM 354 CG MET B 9 8.051 -0.072 -0.028 1.00 0.00 C ATOM 355 SD MET B 9 8.341 -1.364 1.203 1.00 0.00 S ATOM 356 CE MET B 9 8.333 -2.837 0.179 1.00 0.00 C ATOM 0 H MET B 9 10.110 -0.021 1.317 1.00 0.00 H new ATOM 0 HA MET B 9 11.202 0.569 -1.353 1.00 0.00 H new ATOM 0 HB2 MET B 9 8.756 0.531 -1.959 1.00 0.00 H new ATOM 0 HB3 MET B 9 9.402 -1.002 -1.406 1.00 0.00 H new ATOM 0 HG2 MET B 9 7.972 0.891 0.477 1.00 0.00 H new ATOM 0 HG3 MET B 9 7.095 -0.254 -0.518 1.00 0.00 H new ATOM 0 HE1 MET B 9 7.720 -3.605 0.651 1.00 0.00 H new ATOM 0 HE2 MET B 9 7.922 -2.596 -0.802 1.00 0.00 H new ATOM 0 HE3 MET B 9 9.352 -3.206 0.065 1.00 0.00 H new ATOM 366 N THR B 10 10.156 2.928 -1.556 1.00 0.00 N ATOM 367 CA THR B 10 9.852 4.345 -1.522 1.00 0.00 C ATOM 368 C THR B 10 8.353 4.567 -1.400 1.00 0.00 C ATOM 369 O THR B 10 7.572 3.651 -1.664 1.00 0.00 O ATOM 370 CB THR B 10 10.371 5.068 -2.780 1.00 0.00 C ATOM 371 OG1 THR B 10 9.999 4.331 -3.951 1.00 0.00 O ATOM 372 CG2 THR B 10 11.881 5.231 -2.734 1.00 0.00 C ATOM 0 H THR B 10 10.363 2.559 -2.484 1.00 0.00 H new ATOM 0 HA THR B 10 10.357 4.761 -0.650 1.00 0.00 H new ATOM 0 HB THR B 10 9.921 6.060 -2.813 1.00 0.00 H new ATOM 0 HG1 THR B 10 10.329 4.795 -4.748 1.00 0.00 H new ATOM 0 HG21 THR B 10 12.219 5.744 -3.634 1.00 0.00 H new ATOM 0 HG22 THR B 10 12.157 5.816 -1.857 1.00 0.00 H new ATOM 0 HG23 THR B 10 12.351 4.249 -2.678 1.00 0.00 H new ATOM 380 N LYS B 11 7.954 5.766 -1.004 1.00 0.00 N ATOM 381 CA LYS B 11 6.540 6.079 -0.832 1.00 0.00 C ATOM 382 C LYS B 11 5.752 5.790 -2.112 1.00 0.00 C ATOM 383 O LYS B 11 4.675 5.193 -2.065 1.00 0.00 O ATOM 384 CB LYS B 11 6.365 7.542 -0.403 1.00 0.00 C ATOM 385 CG LYS B 11 6.918 8.551 -1.399 1.00 0.00 C ATOM 386 CD LYS B 11 6.951 9.960 -0.824 1.00 0.00 C ATOM 387 CE LYS B 11 5.587 10.399 -0.315 1.00 0.00 C ATOM 388 NZ LYS B 11 5.607 11.801 0.175 1.00 0.00 N1+ ATOM 0 H LYS B 11 8.587 6.538 -0.795 1.00 0.00 H new ATOM 0 HA LYS B 11 6.143 5.438 -0.045 1.00 0.00 H new ATOM 0 HB2 LYS B 11 5.304 7.741 -0.252 1.00 0.00 H new ATOM 0 HB3 LYS B 11 6.857 7.689 0.558 1.00 0.00 H new ATOM 0 HG2 LYS B 11 7.925 8.256 -1.693 1.00 0.00 H new ATOM 0 HG3 LYS B 11 6.307 8.542 -2.302 1.00 0.00 H new ATOM 0 HD2 LYS B 11 7.673 10.002 -0.009 1.00 0.00 H new ATOM 0 HD3 LYS B 11 7.294 10.656 -1.590 1.00 0.00 H new ATOM 0 HE2 LYS B 11 4.853 10.304 -1.115 1.00 0.00 H new ATOM 0 HE3 LYS B 11 5.269 9.737 0.490 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 4.637 12.176 0.193 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 6.007 11.828 1.135 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 6.191 12.382 -0.459 1.00 0.00 H new ATOM 402 N ASP B 12 6.321 6.164 -3.255 1.00 0.00 N ATOM 403 CA ASP B 12 5.640 6.011 -4.534 1.00 0.00 C ATOM 404 C ASP B 12 5.563 4.546 -4.928 1.00 0.00 C ATOM 405 O ASP B 12 4.512 4.058 -5.336 1.00 0.00 O ATOM 406 CB ASP B 12 6.367 6.800 -5.627 1.00 0.00 C ATOM 407 CG ASP B 12 5.671 6.707 -6.974 1.00 0.00 C ATOM 408 OD1 ASP B 12 4.775 7.538 -7.249 1.00 0.00 O ATOM 409 OD2 ASP B 12 6.023 5.813 -7.771 1.00 0.00 O1- ATOM 0 H ASP B 12 7.252 6.575 -3.320 1.00 0.00 H new ATOM 0 HA ASP B 12 4.628 6.402 -4.426 1.00 0.00 H new ATOM 0 HB2 ASP B 12 6.437 7.846 -5.330 1.00 0.00 H new ATOM 0 HB3 ASP B 12 7.387 6.427 -5.722 1.00 0.00 H new ATOM 414 N ALA B 13 6.678 3.845 -4.775 1.00 0.00 N ATOM 415 CA ALA B 13 6.759 2.441 -5.142 1.00 0.00 C ATOM 416 C ALA B 13 5.841 1.602 -4.267 1.00 0.00 C ATOM 417 O ALA B 13 5.227 0.639 -4.735 1.00 0.00 O ATOM 418 CB ALA B 13 8.188 1.957 -5.023 1.00 0.00 C ATOM 0 H ALA B 13 7.543 4.230 -4.397 1.00 0.00 H new ATOM 0 HA ALA B 13 6.434 2.333 -6.177 1.00 0.00 H new ATOM 0 HB1 ALA B 13 8.240 0.904 -5.300 1.00 0.00 H new ATOM 0 HB2 ALA B 13 8.826 2.539 -5.688 1.00 0.00 H new ATOM 0 HB3 ALA B 13 8.529 2.079 -3.995 1.00 0.00 H new ATOM 424 N TRP B 14 5.754 1.973 -2.996 1.00 0.00 N ATOM 425 CA TRP B 14 4.857 1.310 -2.070 1.00 0.00 C ATOM 426 C TRP B 14 3.418 1.501 -2.521 1.00 0.00 C ATOM 427 O TRP B 14 2.701 0.533 -2.740 1.00 0.00 O ATOM 428 CB TRP B 14 5.044 1.858 -0.654 1.00 0.00 C ATOM 429 CG TRP B 14 4.180 1.179 0.361 1.00 0.00 C ATOM 430 CD1 TRP B 14 4.419 -0.020 0.969 1.00 0.00 C ATOM 431 CD2 TRP B 14 2.938 1.657 0.888 1.00 0.00 C ATOM 432 NE1 TRP B 14 3.401 -0.317 1.838 1.00 0.00 N ATOM 433 CE2 TRP B 14 2.481 0.699 1.811 1.00 0.00 C ATOM 434 CE3 TRP B 14 2.169 2.805 0.671 1.00 0.00 C ATOM 435 CZ2 TRP B 14 1.290 0.854 2.515 1.00 0.00 C ATOM 436 CZ3 TRP B 14 0.989 2.957 1.368 1.00 0.00 C ATOM 437 CH2 TRP B 14 0.560 1.987 2.283 1.00 0.00 C ATOM 0 H TRP B 14 6.297 2.733 -2.586 1.00 0.00 H new ATOM 0 HA TRP B 14 5.090 0.245 -2.059 1.00 0.00 H new ATOM 0 HB2 TRP B 14 6.089 1.748 -0.364 1.00 0.00 H new ATOM 0 HB3 TRP B 14 4.824 2.926 -0.653 1.00 0.00 H new ATOM 0 HD1 TRP B 14 5.283 -0.643 0.791 1.00 0.00 H new ATOM 0 HE1 TRP B 14 3.338 -1.158 2.412 1.00 0.00 H new ATOM 0 HE3 TRP B 14 2.494 3.559 -0.030 1.00 0.00 H new ATOM 0 HZ2 TRP B 14 0.955 0.107 3.219 1.00 0.00 H new ATOM 0 HZ3 TRP B 14 0.386 3.838 1.206 1.00 0.00 H new ATOM 0 HH2 TRP B 14 -0.367 2.137 2.817 1.00 0.00 H new ATOM 448 N LEU B 15 3.019 2.759 -2.684 1.00 0.00 N ATOM 449 CA LEU B 15 1.675 3.097 -3.145 1.00 0.00 C ATOM 450 C LEU B 15 1.352 2.384 -4.449 1.00 0.00 C ATOM 451 O LEU B 15 0.263 1.840 -4.621 1.00 0.00 O ATOM 452 CB LEU B 15 1.562 4.605 -3.359 1.00 0.00 C ATOM 453 CG LEU B 15 1.599 5.452 -2.090 1.00 0.00 C ATOM 454 CD1 LEU B 15 1.688 6.926 -2.437 1.00 0.00 C ATOM 455 CD2 LEU B 15 0.376 5.179 -1.226 1.00 0.00 C ATOM 0 H LEU B 15 3.613 3.568 -2.502 1.00 0.00 H new ATOM 0 HA LEU B 15 0.966 2.776 -2.382 1.00 0.00 H new ATOM 0 HB2 LEU B 15 2.375 4.924 -4.012 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.630 4.811 -3.886 1.00 0.00 H new ATOM 0 HG LEU B 15 2.487 5.178 -1.521 1.00 0.00 H new ATOM 0 HD11 LEU B 15 1.713 7.515 -1.520 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.596 7.110 -3.012 1.00 0.00 H new ATOM 0 HD13 LEU B 15 0.819 7.214 -3.029 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.422 5.793 -0.326 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.527 5.423 -1.786 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.356 4.126 -0.946 1.00 0.00 H new ATOM 467 N ASN B 16 2.318 2.392 -5.352 1.00 0.00 N ATOM 468 CA ASN B 16 2.178 1.769 -6.661 1.00 0.00 C ATOM 469 C ASN B 16 1.872 0.279 -6.539 1.00 0.00 C ATOM 470 O ASN B 16 1.073 -0.269 -7.295 1.00 0.00 O ATOM 471 CB ASN B 16 3.471 1.980 -7.451 1.00 0.00 C ATOM 472 CG ASN B 16 3.429 1.383 -8.845 1.00 0.00 C ATOM 473 OD1 ASN B 16 3.765 0.217 -9.044 1.00 0.00 O ATOM 474 ND2 ASN B 16 3.041 2.185 -9.822 1.00 0.00 N ATOM 0 H ASN B 16 3.225 2.832 -5.199 1.00 0.00 H new ATOM 0 HA ASN B 16 1.341 2.233 -7.183 1.00 0.00 H new ATOM 0 HB2 ASN B 16 3.671 3.049 -7.527 1.00 0.00 H new ATOM 0 HB3 ASN B 16 4.301 1.539 -6.900 1.00 0.00 H new ATOM 0 HD21 ASN B 16 3.013 1.842 -10.782 1.00 0.00 H new ATOM 0 HD22 ASN B 16 2.770 3.146 -9.615 1.00 0.00 H new ATOM 481 N SER B 17 2.500 -0.365 -5.572 1.00 0.00 N ATOM 482 CA SER B 17 2.365 -1.802 -5.390 1.00 0.00 C ATOM 483 C SER B 17 1.210 -2.146 -4.445 1.00 0.00 C ATOM 484 O SER B 17 0.667 -3.250 -4.488 1.00 0.00 O ATOM 485 CB SER B 17 3.679 -2.355 -4.842 1.00 0.00 C ATOM 486 OG SER B 17 4.769 -1.961 -5.663 1.00 0.00 O ATOM 0 H SER B 17 3.114 0.087 -4.895 1.00 0.00 H new ATOM 0 HA SER B 17 2.139 -2.257 -6.355 1.00 0.00 H new ATOM 0 HB2 SER B 17 3.835 -1.996 -3.825 1.00 0.00 H new ATOM 0 HB3 SER B 17 3.629 -3.443 -4.792 1.00 0.00 H new ATOM 0 HG SER B 17 5.024 -1.040 -5.448 1.00 0.00 H new ATOM 492 N MET B 18 0.830 -1.184 -3.618 1.00 0.00 N ATOM 493 CA MET B 18 -0.134 -1.416 -2.546 1.00 0.00 C ATOM 494 C MET B 18 -1.562 -1.116 -2.988 1.00 0.00 C ATOM 495 O MET B 18 -2.502 -1.775 -2.547 1.00 0.00 O ATOM 496 CB MET B 18 0.222 -0.544 -1.340 1.00 0.00 C ATOM 497 CG MET B 18 -0.694 -0.736 -0.145 1.00 0.00 C ATOM 498 SD MET B 18 -0.512 -2.360 0.619 1.00 0.00 S ATOM 499 CE MET B 18 -1.734 -2.260 1.925 1.00 0.00 C ATOM 0 H MET B 18 1.177 -0.226 -3.668 1.00 0.00 H new ATOM 0 HA MET B 18 -0.084 -2.471 -2.277 1.00 0.00 H new ATOM 0 HB2 MET B 18 1.246 -0.761 -1.038 1.00 0.00 H new ATOM 0 HB3 MET B 18 0.194 0.503 -1.641 1.00 0.00 H new ATOM 0 HG2 MET B 18 -0.484 0.035 0.596 1.00 0.00 H new ATOM 0 HG3 MET B 18 -1.729 -0.601 -0.460 1.00 0.00 H new ATOM 0 HE1 MET B 18 -1.554 -3.051 2.653 1.00 0.00 H new ATOM 0 HE2 MET B 18 -1.661 -1.290 2.418 1.00 0.00 H new ATOM 0 HE3 MET B 18 -2.731 -2.377 1.500 1.00 0.00 H new ATOM 509 N THR B 19 -1.720 -0.126 -3.862 1.00 0.00 N ATOM 510 CA THR B 19 -3.044 0.328 -4.284 1.00 0.00 C ATOM 511 C THR B 19 -3.955 -0.811 -4.770 1.00 0.00 C ATOM 512 O THR B 19 -5.088 -0.920 -4.305 1.00 0.00 O ATOM 513 CB THR B 19 -2.960 1.424 -5.366 1.00 0.00 C ATOM 514 OG1 THR B 19 -1.810 1.223 -6.198 1.00 0.00 O ATOM 515 CG2 THR B 19 -2.898 2.802 -4.732 1.00 0.00 C ATOM 0 H THR B 19 -0.946 0.379 -4.293 1.00 0.00 H new ATOM 0 HA THR B 19 -3.497 0.748 -3.386 1.00 0.00 H new ATOM 0 HB THR B 19 -3.858 1.359 -5.980 1.00 0.00 H new ATOM 0 HG1 THR B 19 -1.040 1.690 -5.811 1.00 0.00 H new ATOM 0 HG21 THR B 19 -2.839 3.560 -5.513 1.00 0.00 H new ATOM 0 HG22 THR B 19 -3.793 2.967 -4.133 1.00 0.00 H new ATOM 0 HG23 THR B 19 -2.017 2.870 -4.094 1.00 0.00 H new ATOM 523 N PRO B 20 -3.496 -1.689 -5.686 1.00 0.00 N ATOM 524 CA PRO B 20 -4.347 -2.752 -6.224 1.00 0.00 C ATOM 525 C PRO B 20 -4.490 -3.945 -5.275 1.00 0.00 C ATOM 526 O PRO B 20 -5.232 -4.886 -5.553 1.00 0.00 O ATOM 527 CB PRO B 20 -3.621 -3.144 -7.500 1.00 0.00 C ATOM 528 CG PRO B 20 -2.182 -2.923 -7.189 1.00 0.00 C ATOM 529 CD PRO B 20 -2.141 -1.724 -6.283 1.00 0.00 C ATOM 0 HA PRO B 20 -5.374 -2.421 -6.381 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -3.815 -4.183 -7.765 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -3.943 -2.534 -8.344 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -1.748 -3.796 -6.702 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -1.608 -2.746 -8.098 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -1.370 -1.825 -5.520 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -1.924 -0.811 -6.837 1.00 0.00 H new ATOM 537 N LEU B 21 -3.789 -3.891 -4.150 1.00 0.00 N ATOM 538 CA LEU B 21 -3.914 -4.916 -3.120 1.00 0.00 C ATOM 539 C LEU B 21 -5.031 -4.544 -2.161 1.00 0.00 C ATOM 540 O LEU B 21 -5.593 -5.396 -1.473 1.00 0.00 O ATOM 541 CB LEU B 21 -2.606 -5.073 -2.340 1.00 0.00 C ATOM 542 CG LEU B 21 -1.397 -5.529 -3.155 1.00 0.00 C ATOM 543 CD1 LEU B 21 -0.159 -5.592 -2.274 1.00 0.00 C ATOM 544 CD2 LEU B 21 -1.666 -6.882 -3.797 1.00 0.00 C ATOM 0 H LEU B 21 -3.127 -3.148 -3.927 1.00 0.00 H new ATOM 0 HA LEU B 21 -4.143 -5.864 -3.607 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -2.366 -4.118 -1.873 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -2.769 -5.789 -1.535 1.00 0.00 H new ATOM 0 HG LEU B 21 -1.220 -4.803 -3.948 1.00 0.00 H new ATOM 0 HD11 LEU B 21 0.694 -5.918 -2.868 1.00 0.00 H new ATOM 0 HD12 LEU B 21 0.044 -4.604 -1.860 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -0.326 -6.299 -1.461 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -0.794 -7.191 -4.374 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -1.867 -7.620 -3.020 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -2.530 -6.806 -4.458 1.00 0.00 H new ATOM 556 N LEU B 22 -5.357 -3.259 -2.141 1.00 0.00 N ATOM 557 CA LEU B 22 -6.358 -2.732 -1.228 1.00 0.00 C ATOM 558 C LEU B 22 -7.755 -3.290 -1.520 1.00 0.00 C ATOM 559 O LEU B 22 -8.436 -3.712 -0.592 1.00 0.00 O ATOM 560 CB LEU B 22 -6.359 -1.199 -1.257 1.00 0.00 C ATOM 561 CG LEU B 22 -5.084 -0.546 -0.714 1.00 0.00 C ATOM 562 CD1 LEU B 22 -5.054 0.935 -1.051 1.00 0.00 C ATOM 563 CD2 LEU B 22 -4.982 -0.746 0.791 1.00 0.00 C ATOM 0 H LEU B 22 -4.938 -2.558 -2.753 1.00 0.00 H new ATOM 0 HA LEU B 22 -6.090 -3.060 -0.224 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -6.510 -0.869 -2.285 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -7.210 -0.839 -0.678 1.00 0.00 H new ATOM 0 HG LEU B 22 -4.228 -1.025 -1.188 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.140 1.380 -0.656 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -5.081 1.063 -2.133 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -5.919 1.427 -0.606 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -4.070 -0.276 1.160 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -5.846 -0.293 1.278 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -4.956 -1.812 1.015 1.00 0.00 H new ATOM 575 N PRO B 23 -8.209 -3.318 -2.797 1.00 0.00 N ATOM 576 CA PRO B 23 -9.517 -3.882 -3.151 1.00 0.00 C ATOM 577 C PRO B 23 -9.741 -5.270 -2.563 1.00 0.00 C ATOM 578 O PRO B 23 -10.795 -5.543 -1.997 1.00 0.00 O ATOM 579 CB PRO B 23 -9.470 -3.943 -4.676 1.00 0.00 C ATOM 580 CG PRO B 23 -8.575 -2.825 -5.051 1.00 0.00 C ATOM 581 CD PRO B 23 -7.517 -2.796 -3.992 1.00 0.00 C ATOM 0 HA PRO B 23 -10.338 -3.282 -2.757 1.00 0.00 H new ATOM 0 HB2 PRO B 23 -9.082 -4.900 -5.026 1.00 0.00 H new ATOM 0 HB3 PRO B 23 -10.462 -3.823 -5.111 1.00 0.00 H new ATOM 0 HG2 PRO B 23 -8.140 -2.983 -6.038 1.00 0.00 H new ATOM 0 HG3 PRO B 23 -9.119 -1.881 -5.090 1.00 0.00 H new ATOM 0 HD2 PRO B 23 -6.662 -3.415 -4.263 1.00 0.00 H new ATOM 0 HD3 PRO B 23 -7.141 -1.786 -3.829 1.00 0.00 H new ATOM 589 N ASP B 24 -8.738 -6.132 -2.667 1.00 0.00 N ATOM 590 CA ASP B 24 -8.858 -7.491 -2.152 1.00 0.00 C ATOM 591 C ASP B 24 -9.109 -7.469 -0.648 1.00 0.00 C ATOM 592 O ASP B 24 -9.947 -8.206 -0.138 1.00 0.00 O ATOM 593 CB ASP B 24 -7.602 -8.309 -2.464 1.00 0.00 C ATOM 594 CG ASP B 24 -7.752 -9.767 -2.070 1.00 0.00 C ATOM 595 OD1 ASP B 24 -8.295 -10.554 -2.878 1.00 0.00 O ATOM 596 OD2 ASP B 24 -7.322 -10.139 -0.960 1.00 0.00 O1- ATOM 0 H ASP B 24 -7.839 -5.918 -3.099 1.00 0.00 H new ATOM 0 HA ASP B 24 -9.707 -7.965 -2.646 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -7.384 -8.244 -3.530 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -6.750 -7.878 -1.937 1.00 0.00 H new ATOM 601 N LEU B 25 -8.407 -6.587 0.049 1.00 0.00 N ATOM 602 CA LEU B 25 -8.532 -6.475 1.493 1.00 0.00 C ATOM 603 C LEU B 25 -9.873 -5.848 1.867 1.00 0.00 C ATOM 604 O LEU B 25 -10.583 -6.344 2.746 1.00 0.00 O ATOM 605 CB LEU B 25 -7.390 -5.619 2.053 1.00 0.00 C ATOM 606 CG LEU B 25 -5.976 -6.099 1.714 1.00 0.00 C ATOM 607 CD1 LEU B 25 -4.943 -5.099 2.210 1.00 0.00 C ATOM 608 CD2 LEU B 25 -5.716 -7.471 2.316 1.00 0.00 C ATOM 0 H LEU B 25 -7.741 -5.935 -0.366 1.00 0.00 H new ATOM 0 HA LEU B 25 -8.479 -7.475 1.923 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -7.507 -4.601 1.682 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -7.490 -5.577 3.138 1.00 0.00 H new ATOM 0 HG LEU B 25 -5.892 -6.178 0.630 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -3.943 -5.455 1.961 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -5.113 -4.133 1.734 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -5.031 -4.991 3.291 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -4.706 -7.794 2.063 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -5.820 -7.418 3.400 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -6.436 -8.186 1.917 1.00 0.00 H new ATOM 620 N ILE B 26 -10.212 -4.767 1.179 1.00 0.00 N ATOM 621 CA ILE B 26 -11.422 -4.005 1.463 1.00 0.00 C ATOM 622 C ILE B 26 -12.674 -4.821 1.178 1.00 0.00 C ATOM 623 O ILE B 26 -13.551 -4.951 2.033 1.00 0.00 O ATOM 624 CB ILE B 26 -11.462 -2.707 0.625 1.00 0.00 C ATOM 625 CG1 ILE B 26 -10.239 -1.843 0.932 1.00 0.00 C ATOM 626 CG2 ILE B 26 -12.743 -1.929 0.884 1.00 0.00 C ATOM 627 CD1 ILE B 26 -10.126 -1.448 2.388 1.00 0.00 C ATOM 0 H ILE B 26 -9.657 -4.393 0.409 1.00 0.00 H new ATOM 0 HA ILE B 26 -11.400 -3.754 2.523 1.00 0.00 H new ATOM 0 HB ILE B 26 -11.443 -2.981 -0.430 1.00 0.00 H new ATOM 0 HG12 ILE B 26 -9.339 -2.385 0.640 1.00 0.00 H new ATOM 0 HG13 ILE B 26 -10.280 -0.941 0.322 1.00 0.00 H new ATOM 0 HG21 ILE B 26 -12.745 -1.020 0.282 1.00 0.00 H new ATOM 0 HG22 ILE B 26 -13.602 -2.544 0.616 1.00 0.00 H new ATOM 0 HG23 ILE B 26 -12.801 -1.664 1.940 1.00 0.00 H new ATOM 0 HD11 ILE B 26 -9.235 -0.836 2.531 1.00 0.00 H new ATOM 0 HD12 ILE B 26 -11.008 -0.878 2.680 1.00 0.00 H new ATOM 0 HD13 ILE B 26 -10.053 -2.345 3.004 1.00 0.00 H new ATOM 639 N CYS B 27 -12.738 -5.382 -0.019 1.00 0.00 N ATOM 640 CA CYS B 27 -13.911 -6.119 -0.461 1.00 0.00 C ATOM 641 C CYS B 27 -14.133 -7.361 0.387 1.00 0.00 C ATOM 642 O CYS B 27 -15.267 -7.675 0.748 1.00 0.00 O ATOM 643 CB CYS B 27 -13.769 -6.490 -1.934 1.00 0.00 C ATOM 644 SG CYS B 27 -13.489 -5.048 -3.011 1.00 0.00 S ATOM 0 H CYS B 27 -11.985 -5.340 -0.706 1.00 0.00 H new ATOM 0 HA CYS B 27 -14.784 -5.478 -0.341 1.00 0.00 H new ATOM 0 HB2 CYS B 27 -12.939 -7.188 -2.048 1.00 0.00 H new ATOM 0 HB3 CYS B 27 -14.670 -7.010 -2.260 1.00 0.00 H new ATOM 649 N LYS B 28 -13.053 -8.058 0.727 1.00 0.00 N ATOM 650 CA LYS B 28 -13.163 -9.225 1.588 1.00 0.00 C ATOM 651 C LYS B 28 -13.572 -8.809 2.990 1.00 0.00 C ATOM 652 O LYS B 28 -14.291 -9.532 3.665 1.00 0.00 O ATOM 653 CB LYS B 28 -11.854 -10.011 1.641 1.00 0.00 C ATOM 654 CG LYS B 28 -11.526 -10.733 0.347 1.00 0.00 C ATOM 655 CD LYS B 28 -10.306 -11.621 0.510 1.00 0.00 C ATOM 656 CE LYS B 28 -10.014 -12.408 -0.755 1.00 0.00 C ATOM 657 NZ LYS B 28 -11.115 -13.347 -1.093 1.00 0.00 N1+ ATOM 0 H LYS B 28 -12.105 -7.837 0.423 1.00 0.00 H new ATOM 0 HA LYS B 28 -13.929 -9.874 1.165 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -11.039 -9.328 1.883 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -11.910 -10.740 2.450 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -12.380 -11.336 0.037 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -11.346 -10.005 -0.444 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -9.441 -11.009 0.766 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -10.465 -12.310 1.339 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -9.859 -11.717 -1.584 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -9.087 -12.967 -0.628 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -10.780 -14.035 -1.797 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -11.418 -13.850 -0.235 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -11.918 -12.814 -1.484 1.00 0.00 H new ATOM 671 N GLY B 29 -13.128 -7.631 3.414 1.00 0.00 N ATOM 672 CA GLY B 29 -13.475 -7.134 4.732 1.00 0.00 C ATOM 673 C GLY B 29 -14.974 -7.055 4.944 1.00 0.00 C ATOM 674 O GLY B 29 -15.472 -7.373 6.025 1.00 0.00 O ATOM 0 H GLY B 29 -12.532 -7.010 2.867 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -13.038 -7.785 5.489 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -13.039 -6.145 4.871 1.00 0.00 H new ATOM 678 N PHE B 30 -15.696 -6.657 3.901 1.00 0.00 N ATOM 679 CA PHE B 30 -17.147 -6.548 3.972 1.00 0.00 C ATOM 680 C PHE B 30 -17.797 -7.926 3.942 1.00 0.00 C ATOM 681 O PHE B 30 -18.860 -8.133 4.517 1.00 0.00 O ATOM 682 CB PHE B 30 -17.684 -5.700 2.815 1.00 0.00 C ATOM 683 CG PHE B 30 -17.158 -4.293 2.797 1.00 0.00 C ATOM 684 CD1 PHE B 30 -17.258 -3.489 3.919 1.00 0.00 C ATOM 685 CD2 PHE B 30 -16.575 -3.772 1.655 1.00 0.00 C ATOM 686 CE1 PHE B 30 -16.785 -2.192 3.905 1.00 0.00 C ATOM 687 CE2 PHE B 30 -16.099 -2.475 1.636 1.00 0.00 C ATOM 688 CZ PHE B 30 -16.203 -1.685 2.761 1.00 0.00 C ATOM 0 H PHE B 30 -15.298 -6.405 2.996 1.00 0.00 H new ATOM 0 HA PHE B 30 -17.397 -6.061 4.915 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -17.429 -6.185 1.873 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -18.772 -5.670 2.874 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -17.712 -3.881 4.817 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -16.491 -4.385 0.770 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -16.870 -1.575 4.788 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -15.645 -2.080 0.739 1.00 0.00 H new ATOM 0 HZ PHE B 30 -15.830 -0.672 2.747 1.00 0.00 H new ATOM 698 N ILE B 31 -17.151 -8.865 3.269 1.00 0.00 N ATOM 699 CA ILE B 31 -17.689 -10.213 3.139 1.00 0.00 C ATOM 700 C ILE B 31 -17.414 -11.032 4.398 1.00 0.00 C ATOM 701 O ILE B 31 -18.278 -11.766 4.883 1.00 0.00 O ATOM 702 CB ILE B 31 -17.084 -10.939 1.917 1.00 0.00 C ATOM 703 CG1 ILE B 31 -17.322 -10.120 0.646 1.00 0.00 C ATOM 704 CG2 ILE B 31 -17.679 -12.333 1.774 1.00 0.00 C ATOM 705 CD1 ILE B 31 -16.665 -10.704 -0.587 1.00 0.00 C ATOM 0 H ILE B 31 -16.255 -8.720 2.804 1.00 0.00 H new ATOM 0 HA ILE B 31 -18.766 -10.120 2.999 1.00 0.00 H new ATOM 0 HB ILE B 31 -16.010 -11.041 2.070 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -18.395 -10.040 0.472 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -16.948 -9.108 0.801 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -17.241 -12.829 0.908 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -17.465 -12.914 2.671 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -18.758 -12.256 1.640 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -16.878 -10.070 -1.448 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -15.587 -10.758 -0.434 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -17.057 -11.705 -0.768 1.00 0.00 H new ATOM 717 N GLN B 32 -16.206 -10.889 4.922 1.00 0.00 N ATOM 718 CA GLN B 32 -15.760 -11.650 6.081 1.00 0.00 C ATOM 719 C GLN B 32 -16.408 -11.148 7.366 1.00 0.00 C ATOM 720 O GLN B 32 -16.496 -11.885 8.351 1.00 0.00 O ATOM 721 CB GLN B 32 -14.240 -11.576 6.190 1.00 0.00 C ATOM 722 CG GLN B 32 -13.529 -12.137 4.970 1.00 0.00 C ATOM 723 CD GLN B 32 -12.024 -11.976 5.031 1.00 0.00 C ATOM 724 OE1 GLN B 32 -11.508 -11.039 5.643 1.00 0.00 O ATOM 725 NE2 GLN B 32 -11.309 -12.881 4.386 1.00 0.00 N ATOM 0 H GLN B 32 -15.507 -10.242 4.556 1.00 0.00 H new ATOM 0 HA GLN B 32 -16.065 -12.687 5.944 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -13.942 -10.537 6.332 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -13.918 -12.124 7.075 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -13.771 -13.195 4.871 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -13.906 -11.639 4.077 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -11.775 -13.642 3.891 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -10.291 -12.819 4.383 1.00 0.00 H new ATOM 734 N ASP B 33 -16.853 -9.900 7.363 1.00 0.00 N ATOM 735 CA ASP B 33 -17.547 -9.345 8.520 1.00 0.00 C ATOM 736 C ASP B 33 -19.047 -9.556 8.370 1.00 0.00 C ATOM 737 O ASP B 33 -19.665 -9.023 7.451 1.00 0.00 O ATOM 738 CB ASP B 33 -17.271 -7.850 8.682 1.00 0.00 C ATOM 739 CG ASP B 33 -17.628 -7.359 10.069 1.00 0.00 C ATOM 740 OD1 ASP B 33 -18.797 -7.502 10.476 1.00 0.00 O ATOM 741 OD2 ASP B 33 -16.736 -6.831 10.769 1.00 0.00 O1- ATOM 0 H ASP B 33 -16.748 -9.255 6.580 1.00 0.00 H new ATOM 0 HA ASP B 33 -17.176 -9.862 9.405 1.00 0.00 H new ATOM 0 HB2 ASP B 33 -16.217 -7.652 8.486 1.00 0.00 H new ATOM 0 HB3 ASP B 33 -17.843 -7.292 7.941 1.00 0.00 H new ATOM 746 N PRO B 34 -19.649 -10.342 9.279 1.00 0.00 N ATOM 747 CA PRO B 34 -21.081 -10.654 9.246 1.00 0.00 C ATOM 748 C PRO B 34 -21.961 -9.411 9.214 1.00 0.00 C ATOM 749 O PRO B 34 -23.021 -9.416 8.594 1.00 0.00 O ATOM 750 CB PRO B 34 -21.322 -11.419 10.545 1.00 0.00 C ATOM 751 CG PRO B 34 -19.993 -11.952 10.945 1.00 0.00 C ATOM 752 CD PRO B 34 -18.965 -11.000 10.406 1.00 0.00 C ATOM 0 HA PRO B 34 -21.336 -11.212 8.345 1.00 0.00 H new ATOM 0 HB2 PRO B 34 -21.731 -10.765 11.315 1.00 0.00 H new ATOM 0 HB3 PRO B 34 -22.040 -12.226 10.398 1.00 0.00 H new ATOM 0 HG2 PRO B 34 -19.918 -12.029 12.030 1.00 0.00 H new ATOM 0 HG3 PRO B 34 -19.841 -12.954 10.543 1.00 0.00 H new ATOM 0 HD2 PRO B 34 -18.654 -10.278 11.161 1.00 0.00 H new ATOM 0 HD3 PRO B 34 -18.068 -11.525 10.078 1.00 0.00 H new ATOM 760 N ASP B 35 -21.519 -8.352 9.885 1.00 0.00 N ATOM 761 CA ASP B 35 -22.268 -7.097 9.914 1.00 0.00 C ATOM 762 C ASP B 35 -22.360 -6.508 8.525 1.00 0.00 C ATOM 763 O ASP B 35 -23.432 -6.183 8.028 1.00 0.00 O ATOM 764 CB ASP B 35 -21.593 -6.060 10.818 1.00 0.00 C ATOM 765 CG ASP B 35 -21.694 -6.402 12.291 1.00 0.00 C ATOM 766 OD1 ASP B 35 -22.803 -6.288 12.852 1.00 0.00 O ATOM 767 OD2 ASP B 35 -20.672 -6.775 12.902 1.00 0.00 O1- ATOM 0 H ASP B 35 -20.648 -8.336 10.415 1.00 0.00 H new ATOM 0 HA ASP B 35 -23.260 -7.328 10.302 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -20.542 -5.975 10.542 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -22.048 -5.085 10.645 1.00 0.00 H new ATOM 772 N LEU B 36 -21.208 -6.363 7.923 1.00 0.00 N ATOM 773 CA LEU B 36 -21.063 -5.707 6.658 1.00 0.00 C ATOM 774 C LEU B 36 -21.588 -6.580 5.526 1.00 0.00 C ATOM 775 O LEU B 36 -22.057 -6.077 4.503 1.00 0.00 O ATOM 776 CB LEU B 36 -19.580 -5.413 6.467 1.00 0.00 C ATOM 777 CG LEU B 36 -18.931 -4.405 7.442 1.00 0.00 C ATOM 778 CD1 LEU B 36 -19.214 -2.977 7.014 1.00 0.00 C ATOM 779 CD2 LEU B 36 -19.345 -4.586 8.890 1.00 0.00 C ATOM 0 H LEU B 36 -20.329 -6.706 8.310 1.00 0.00 H new ATOM 0 HA LEU B 36 -21.643 -4.784 6.642 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -19.036 -6.355 6.542 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -19.437 -5.042 5.452 1.00 0.00 H new ATOM 0 HG LEU B 36 -17.862 -4.611 7.391 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -18.746 -2.287 7.717 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -18.809 -2.809 6.016 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -20.291 -2.808 7.001 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -18.845 -3.840 9.507 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -20.425 -4.465 8.978 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -19.063 -5.583 9.227 1.00 0.00 H new ATOM 791 N LYS B 37 -21.514 -7.892 5.729 1.00 0.00 N ATOM 792 CA LYS B 37 -21.995 -8.853 4.747 1.00 0.00 C ATOM 793 C LYS B 37 -23.494 -8.682 4.535 1.00 0.00 C ATOM 794 O LYS B 37 -24.025 -9.007 3.471 1.00 0.00 O ATOM 795 CB LYS B 37 -21.675 -10.281 5.208 1.00 0.00 C ATOM 796 CG LYS B 37 -22.090 -11.368 4.227 1.00 0.00 C ATOM 797 CD LYS B 37 -21.328 -11.270 2.915 1.00 0.00 C ATOM 798 CE LYS B 37 -21.668 -12.422 1.981 1.00 0.00 C ATOM 799 NZ LYS B 37 -23.111 -12.451 1.627 1.00 0.00 N1+ ATOM 0 H LYS B 37 -21.123 -8.314 6.571 1.00 0.00 H new ATOM 0 HA LYS B 37 -21.490 -8.673 3.798 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -20.603 -10.360 5.386 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -22.171 -10.461 6.162 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -21.917 -12.346 4.675 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -23.160 -11.292 4.032 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -21.563 -10.324 2.427 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -20.257 -11.268 3.115 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -21.074 -12.337 1.071 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -21.393 -13.365 2.454 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -23.270 -13.152 0.875 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -23.669 -12.710 2.466 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -23.405 -11.511 1.292 1.00 0.00 H new ATOM 813 N LYS B 38 -24.161 -8.153 5.552 1.00 0.00 N ATOM 814 CA LYS B 38 -25.580 -7.855 5.467 1.00 0.00 C ATOM 815 C LYS B 38 -25.832 -6.836 4.362 1.00 0.00 C ATOM 816 O LYS B 38 -26.666 -7.044 3.484 1.00 0.00 O ATOM 817 CB LYS B 38 -26.083 -7.302 6.802 1.00 0.00 C ATOM 818 CG LYS B 38 -25.760 -8.189 7.992 1.00 0.00 C ATOM 819 CD LYS B 38 -26.504 -7.753 9.247 1.00 0.00 C ATOM 820 CE LYS B 38 -26.157 -6.326 9.650 1.00 0.00 C ATOM 821 NZ LYS B 38 -26.770 -5.947 10.950 1.00 0.00 N1+ ATOM 0 H LYS B 38 -23.737 -7.921 6.450 1.00 0.00 H new ATOM 0 HA LYS B 38 -26.118 -8.775 5.237 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -25.645 -6.317 6.965 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -27.163 -7.165 6.745 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -26.020 -9.221 7.756 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -24.687 -8.166 8.180 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -27.578 -7.831 9.077 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -26.261 -8.430 10.066 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -25.074 -6.222 9.716 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -26.497 -5.638 8.875 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -26.508 -4.968 11.185 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -27.805 -6.021 10.880 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -26.427 -6.586 11.695 1.00 0.00 H new ATOM 835 N ARG B 39 -25.058 -5.757 4.386 1.00 0.00 N ATOM 836 CA ARG B 39 -25.232 -4.665 3.440 1.00 0.00 C ATOM 837 C ARG B 39 -24.755 -5.091 2.059 1.00 0.00 C ATOM 838 O ARG B 39 -25.332 -4.710 1.041 1.00 0.00 O ATOM 839 CB ARG B 39 -24.463 -3.430 3.919 1.00 0.00 C ATOM 840 CG ARG B 39 -24.689 -2.191 3.069 1.00 0.00 C ATOM 841 CD ARG B 39 -26.162 -1.813 3.006 1.00 0.00 C ATOM 842 NE ARG B 39 -26.712 -1.524 4.329 1.00 0.00 N ATOM 843 CZ ARG B 39 -28.014 -1.426 4.593 1.00 0.00 C ATOM 844 NH1 ARG B 39 -28.911 -1.603 3.627 1.00 0.00 N1+ ATOM 845 NH2 ARG B 39 -28.417 -1.145 5.824 1.00 0.00 N ATOM 0 H ARG B 39 -24.301 -5.616 5.055 1.00 0.00 H new ATOM 0 HA ARG B 39 -26.290 -4.411 3.377 1.00 0.00 H new ATOM 0 HB2 ARG B 39 -24.753 -3.211 4.947 1.00 0.00 H new ATOM 0 HB3 ARG B 39 -23.398 -3.660 3.931 1.00 0.00 H new ATOM 0 HG2 ARG B 39 -24.117 -1.359 3.479 1.00 0.00 H new ATOM 0 HG3 ARG B 39 -24.315 -2.368 2.061 1.00 0.00 H new ATOM 0 HD2 ARG B 39 -26.285 -0.941 2.364 1.00 0.00 H new ATOM 0 HD3 ARG B 39 -26.726 -2.627 2.549 1.00 0.00 H new ATOM 0 HE ARG B 39 -26.057 -1.389 5.099 1.00 0.00 H new ATOM 0 HH11 ARG B 39 -28.603 -1.815 2.678 1.00 0.00 H new ATOM 0 HH12 ARG B 39 -29.907 -1.527 3.835 1.00 0.00 H new ATOM 0 HH21 ARG B 39 -27.731 -1.005 6.566 1.00 0.00 H new ATOM 0 HH22 ARG B 39 -29.413 -1.069 6.030 1.00 0.00 H new ATOM 859 N PHE B 40 -23.703 -5.898 2.048 1.00 0.00 N ATOM 860 CA PHE B 40 -23.149 -6.455 0.821 1.00 0.00 C ATOM 861 C PHE B 40 -24.217 -7.244 0.061 1.00 0.00 C ATOM 862 O PHE B 40 -24.315 -7.162 -1.166 1.00 0.00 O ATOM 863 CB PHE B 40 -21.964 -7.352 1.187 1.00 0.00 C ATOM 864 CG PHE B 40 -21.087 -7.734 0.030 1.00 0.00 C ATOM 865 CD1 PHE B 40 -20.366 -6.771 -0.655 1.00 0.00 C ATOM 866 CD2 PHE B 40 -20.970 -9.058 -0.360 1.00 0.00 C ATOM 867 CE1 PHE B 40 -19.544 -7.120 -1.708 1.00 0.00 C ATOM 868 CE2 PHE B 40 -20.152 -9.412 -1.414 1.00 0.00 C ATOM 869 CZ PHE B 40 -19.437 -8.443 -2.087 1.00 0.00 C ATOM 0 H PHE B 40 -23.208 -6.186 2.892 1.00 0.00 H new ATOM 0 HA PHE B 40 -22.809 -5.651 0.168 1.00 0.00 H new ATOM 0 HB2 PHE B 40 -21.356 -6.841 1.933 1.00 0.00 H new ATOM 0 HB3 PHE B 40 -22.344 -8.261 1.653 1.00 0.00 H new ATOM 0 HD1 PHE B 40 -20.447 -5.735 -0.362 1.00 0.00 H new ATOM 0 HD2 PHE B 40 -21.524 -9.821 0.166 1.00 0.00 H new ATOM 0 HE1 PHE B 40 -18.986 -6.360 -2.234 1.00 0.00 H new ATOM 0 HE2 PHE B 40 -20.072 -10.447 -1.712 1.00 0.00 H new ATOM 0 HZ PHE B 40 -18.794 -8.719 -2.910 1.00 0.00 H new ATOM 879 N ASP B 41 -25.031 -7.986 0.805 1.00 0.00 N ATOM 880 CA ASP B 41 -26.123 -8.761 0.221 1.00 0.00 C ATOM 881 C ASP B 41 -27.283 -7.851 -0.184 1.00 0.00 C ATOM 882 O ASP B 41 -27.899 -8.049 -1.231 1.00 0.00 O ATOM 883 CB ASP B 41 -26.605 -9.820 1.215 1.00 0.00 C ATOM 884 CG ASP B 41 -27.821 -10.584 0.729 1.00 0.00 C ATOM 885 OD1 ASP B 41 -27.712 -11.327 -0.269 1.00 0.00 O ATOM 886 OD2 ASP B 41 -28.890 -10.465 1.363 1.00 0.00 O1- ATOM 0 H ASP B 41 -24.955 -8.068 1.819 1.00 0.00 H new ATOM 0 HA ASP B 41 -25.750 -9.257 -0.675 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -25.795 -10.523 1.408 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -26.842 -9.338 2.164 1.00 0.00 H new ATOM 891 N GLU B 42 -27.562 -6.843 0.641 1.00 0.00 N ATOM 892 CA GLU B 42 -28.645 -5.891 0.372 1.00 0.00 C ATOM 893 C GLU B 42 -28.439 -5.164 -0.954 1.00 0.00 C ATOM 894 O GLU B 42 -29.399 -4.842 -1.655 1.00 0.00 O ATOM 895 CB GLU B 42 -28.746 -4.860 1.496 1.00 0.00 C ATOM 896 CG GLU B 42 -29.166 -5.445 2.834 1.00 0.00 C ATOM 897 CD GLU B 42 -30.583 -5.978 2.824 1.00 0.00 C ATOM 898 OE1 GLU B 42 -31.497 -5.256 3.279 1.00 0.00 O ATOM 899 OE2 GLU B 42 -30.797 -7.120 2.370 1.00 0.00 O1- ATOM 0 H GLU B 42 -27.052 -6.662 1.506 1.00 0.00 H new ATOM 0 HA GLU B 42 -29.569 -6.466 0.315 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -27.780 -4.369 1.613 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -29.462 -4.091 1.206 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -28.482 -6.250 3.104 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -29.077 -4.679 3.604 1.00 0.00 H new ATOM 906 N ILE B 43 -27.184 -4.900 -1.293 1.00 0.00 N ATOM 907 CA ILE B 43 -26.865 -4.192 -2.526 1.00 0.00 C ATOM 908 C ILE B 43 -26.606 -5.194 -3.659 1.00 0.00 C ATOM 909 O ILE B 43 -26.346 -4.815 -4.805 1.00 0.00 O ATOM 910 CB ILE B 43 -25.633 -3.265 -2.338 1.00 0.00 C ATOM 911 CG1 ILE B 43 -25.754 -2.462 -1.037 1.00 0.00 C ATOM 912 CG2 ILE B 43 -25.480 -2.309 -3.514 1.00 0.00 C ATOM 913 CD1 ILE B 43 -26.955 -1.540 -0.986 1.00 0.00 C ATOM 0 H ILE B 43 -26.373 -5.164 -0.734 1.00 0.00 H new ATOM 0 HA ILE B 43 -27.720 -3.569 -2.789 1.00 0.00 H new ATOM 0 HB ILE B 43 -24.749 -3.900 -2.287 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -25.807 -3.156 -0.198 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -24.849 -1.869 -0.903 1.00 0.00 H new ATOM 0 HG21 ILE B 43 -24.610 -1.673 -3.355 1.00 0.00 H new ATOM 0 HG22 ILE B 43 -25.348 -2.881 -4.433 1.00 0.00 H new ATOM 0 HG23 ILE B 43 -26.372 -1.689 -3.597 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -26.966 -1.010 -0.034 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -26.896 -0.820 -1.802 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -27.868 -2.126 -1.086 1.00 0.00 H new ATOM 925 N LYS B 44 -26.712 -6.484 -3.318 1.00 0.00 N ATOM 926 CA LYS B 44 -26.445 -7.583 -4.255 1.00 0.00 C ATOM 927 C LYS B 44 -25.064 -7.435 -4.867 1.00 0.00 C ATOM 928 O LYS B 44 -24.855 -7.692 -6.054 1.00 0.00 O ATOM 929 CB LYS B 44 -27.510 -7.648 -5.355 1.00 0.00 C ATOM 930 CG LYS B 44 -28.898 -8.015 -4.851 1.00 0.00 C ATOM 931 CD LYS B 44 -28.916 -9.377 -4.166 1.00 0.00 C ATOM 932 CE LYS B 44 -28.500 -10.500 -5.108 1.00 0.00 C ATOM 933 NZ LYS B 44 -29.423 -10.638 -6.267 1.00 0.00 N1+ ATOM 0 H LYS B 44 -26.985 -6.796 -2.386 1.00 0.00 H new ATOM 0 HA LYS B 44 -26.484 -8.517 -3.694 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -27.560 -6.681 -5.856 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -27.201 -8.378 -6.103 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -29.243 -7.253 -4.152 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -29.597 -8.021 -5.687 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -28.246 -9.359 -3.307 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -29.917 -9.577 -3.785 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -27.490 -10.310 -5.472 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -28.469 -11.440 -4.557 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -29.180 -11.495 -6.804 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -30.402 -10.710 -5.924 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -29.332 -9.806 -6.884 1.00 0.00 H new ATOM 947 N MET B 45 -24.123 -7.036 -4.036 1.00 0.00 N ATOM 948 CA MET B 45 -22.784 -6.720 -4.484 1.00 0.00 C ATOM 949 C MET B 45 -21.933 -7.980 -4.554 1.00 0.00 C ATOM 950 O MET B 45 -22.161 -8.930 -3.809 1.00 0.00 O ATOM 951 CB MET B 45 -22.161 -5.712 -3.521 1.00 0.00 C ATOM 952 CG MET B 45 -20.880 -5.080 -4.034 1.00 0.00 C ATOM 953 SD MET B 45 -20.292 -3.768 -2.955 1.00 0.00 S ATOM 954 CE MET B 45 -21.649 -2.604 -3.074 1.00 0.00 C ATOM 0 H MET B 45 -24.265 -6.922 -3.032 1.00 0.00 H new ATOM 0 HA MET B 45 -22.831 -6.288 -5.484 1.00 0.00 H new ATOM 0 HB2 MET B 45 -22.886 -4.924 -3.316 1.00 0.00 H new ATOM 0 HB3 MET B 45 -21.955 -6.210 -2.573 1.00 0.00 H new ATOM 0 HG2 MET B 45 -20.110 -5.846 -4.125 1.00 0.00 H new ATOM 0 HG3 MET B 45 -21.050 -4.678 -5.033 1.00 0.00 H new ATOM 0 HE1 MET B 45 -21.333 -1.636 -2.687 1.00 0.00 H new ATOM 0 HE2 MET B 45 -21.947 -2.498 -4.117 1.00 0.00 H new ATOM 0 HE3 MET B 45 -22.494 -2.970 -2.491 1.00 0.00 H new ATOM 964 N THR B 46 -20.970 -7.996 -5.463 1.00 0.00 N ATOM 965 CA THR B 46 -20.041 -9.106 -5.567 1.00 0.00 C ATOM 966 C THR B 46 -18.611 -8.625 -5.361 1.00 0.00 C ATOM 967 O THR B 46 -18.344 -7.422 -5.451 1.00 0.00 O ATOM 968 CB THR B 46 -20.146 -9.807 -6.935 1.00 0.00 C ATOM 969 OG1 THR B 46 -19.941 -8.854 -7.987 1.00 0.00 O ATOM 970 CG2 THR B 46 -21.501 -10.476 -7.106 1.00 0.00 C ATOM 0 H THR B 46 -20.813 -7.250 -6.140 1.00 0.00 H new ATOM 0 HA THR B 46 -20.305 -9.822 -4.788 1.00 0.00 H new ATOM 0 HB THR B 46 -19.376 -10.577 -6.983 1.00 0.00 H new ATOM 0 HG1 THR B 46 -20.007 -9.305 -8.854 1.00 0.00 H new ATOM 0 HG21 THR B 46 -21.546 -10.962 -8.080 1.00 0.00 H new ATOM 0 HG22 THR B 46 -21.641 -11.220 -6.322 1.00 0.00 H new ATOM 0 HG23 THR B 46 -22.288 -9.725 -7.038 1.00 0.00 H new ATOM 978 N TYR B 47 -17.702 -9.547 -5.077 1.00 0.00 N ATOM 979 CA TYR B 47 -16.289 -9.215 -4.950 1.00 0.00 C ATOM 980 C TYR B 47 -15.805 -8.522 -6.220 1.00 0.00 C ATOM 981 O TYR B 47 -15.166 -7.470 -6.163 1.00 0.00 O ATOM 982 CB TYR B 47 -15.471 -10.486 -4.683 1.00 0.00 C ATOM 983 CG TYR B 47 -13.968 -10.282 -4.702 1.00 0.00 C ATOM 984 CD1 TYR B 47 -13.236 -10.525 -5.857 1.00 0.00 C ATOM 985 CD2 TYR B 47 -13.283 -9.856 -3.570 1.00 0.00 C ATOM 986 CE1 TYR B 47 -11.869 -10.348 -5.887 1.00 0.00 C ATOM 987 CE2 TYR B 47 -11.912 -9.676 -3.592 1.00 0.00 C ATOM 988 CZ TYR B 47 -11.211 -9.925 -4.755 1.00 0.00 C ATOM 989 OH TYR B 47 -9.845 -9.743 -4.792 1.00 0.00 O ATOM 0 H TYR B 47 -17.918 -10.533 -4.930 1.00 0.00 H new ATOM 0 HA TYR B 47 -16.154 -8.536 -4.108 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -15.758 -10.890 -3.712 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -15.733 -11.235 -5.430 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -13.747 -10.859 -6.748 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -13.830 -9.663 -2.659 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -11.317 -10.541 -6.795 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -11.393 -9.343 -2.705 1.00 0.00 H new ATOM 0 HH TYR B 47 -9.418 -10.337 -4.140 1.00 0.00 H new ATOM 999 N GLU B 48 -16.158 -9.110 -7.361 1.00 0.00 N ATOM 1000 CA GLU B 48 -15.775 -8.585 -8.668 1.00 0.00 C ATOM 1001 C GLU B 48 -16.252 -7.147 -8.850 1.00 0.00 C ATOM 1002 O GLU B 48 -15.508 -6.289 -9.328 1.00 0.00 O ATOM 1003 CB GLU B 48 -16.363 -9.457 -9.777 1.00 0.00 C ATOM 1004 CG GLU B 48 -15.949 -10.914 -9.697 1.00 0.00 C ATOM 1005 CD GLU B 48 -16.481 -11.721 -10.859 1.00 0.00 C ATOM 1006 OE1 GLU B 48 -17.433 -12.504 -10.663 1.00 0.00 O ATOM 1007 OE2 GLU B 48 -15.950 -11.569 -11.979 1.00 0.00 O1- ATOM 0 H GLU B 48 -16.717 -9.962 -7.405 1.00 0.00 H new ATOM 0 HA GLU B 48 -14.687 -8.599 -8.725 1.00 0.00 H new ATOM 0 HB2 GLU B 48 -17.451 -9.396 -9.736 1.00 0.00 H new ATOM 0 HB3 GLU B 48 -16.057 -9.055 -10.743 1.00 0.00 H new ATOM 0 HG2 GLU B 48 -14.861 -10.981 -9.678 1.00 0.00 H new ATOM 0 HG3 GLU B 48 -16.311 -11.343 -8.763 1.00 0.00 H new ATOM 1014 N GLN B 49 -17.499 -6.898 -8.474 1.00 0.00 N ATOM 1015 CA GLN B 49 -18.074 -5.566 -8.569 1.00 0.00 C ATOM 1016 C GLN B 49 -17.309 -4.585 -7.689 1.00 0.00 C ATOM 1017 O GLN B 49 -16.994 -3.478 -8.100 1.00 0.00 O ATOM 1018 CB GLN B 49 -19.546 -5.598 -8.151 1.00 0.00 C ATOM 1019 CG GLN B 49 -20.195 -4.224 -8.097 1.00 0.00 C ATOM 1020 CD GLN B 49 -20.235 -3.530 -9.446 1.00 0.00 C ATOM 1021 OE1 GLN B 49 -20.178 -2.304 -9.528 1.00 0.00 O ATOM 1022 NE2 GLN B 49 -20.344 -4.303 -10.514 1.00 0.00 N ATOM 0 H GLN B 49 -18.132 -7.604 -8.099 1.00 0.00 H new ATOM 0 HA GLN B 49 -18.001 -5.234 -9.605 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -20.100 -6.225 -8.850 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -19.626 -6.067 -7.170 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -21.212 -4.324 -7.716 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -19.650 -3.599 -7.390 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -20.389 -5.316 -10.408 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -20.383 -3.886 -11.444 1.00 0.00 H new ATOM 1031 N CYS B 50 -17.000 -5.013 -6.485 1.00 0.00 N ATOM 1032 CA CYS B 50 -16.343 -4.156 -5.517 1.00 0.00 C ATOM 1033 C CYS B 50 -14.910 -3.813 -5.937 1.00 0.00 C ATOM 1034 O CYS B 50 -14.520 -2.645 -5.907 1.00 0.00 O ATOM 1035 CB CYS B 50 -16.365 -4.821 -4.143 1.00 0.00 C ATOM 1036 SG CYS B 50 -15.445 -3.912 -2.860 1.00 0.00 S ATOM 0 H CYS B 50 -17.194 -5.956 -6.149 1.00 0.00 H new ATOM 0 HA CYS B 50 -16.891 -3.215 -5.468 1.00 0.00 H new ATOM 0 HB2 CYS B 50 -17.401 -4.932 -3.822 1.00 0.00 H new ATOM 0 HB3 CYS B 50 -15.949 -5.825 -4.231 1.00 0.00 H new ATOM 1041 N VAL B 51 -14.133 -4.808 -6.366 1.00 0.00 N ATOM 1042 CA VAL B 51 -12.719 -4.578 -6.681 1.00 0.00 C ATOM 1043 C VAL B 51 -12.520 -3.714 -7.921 1.00 0.00 C ATOM 1044 O VAL B 51 -11.412 -3.250 -8.173 1.00 0.00 O ATOM 1045 CB VAL B 51 -11.915 -5.883 -6.860 1.00 0.00 C ATOM 1046 CG1 VAL B 51 -11.694 -6.563 -5.523 1.00 0.00 C ATOM 1047 CG2 VAL B 51 -12.600 -6.820 -7.843 1.00 0.00 C ATOM 0 H VAL B 51 -14.450 -5.768 -6.503 1.00 0.00 H new ATOM 0 HA VAL B 51 -12.338 -4.046 -5.809 1.00 0.00 H new ATOM 0 HB VAL B 51 -10.941 -5.625 -7.275 1.00 0.00 H new ATOM 0 HG11 VAL B 51 -11.125 -7.481 -5.671 1.00 0.00 H new ATOM 0 HG12 VAL B 51 -11.140 -5.896 -4.863 1.00 0.00 H new ATOM 0 HG13 VAL B 51 -12.657 -6.802 -5.073 1.00 0.00 H new ATOM 0 HG21 VAL B 51 -12.010 -7.731 -7.949 1.00 0.00 H new ATOM 0 HG22 VAL B 51 -13.594 -7.072 -7.473 1.00 0.00 H new ATOM 0 HG23 VAL B 51 -12.687 -6.330 -8.813 1.00 0.00 H new ATOM 1057 N THR B 52 -13.570 -3.504 -8.705 1.00 0.00 N ATOM 1058 CA THR B 52 -13.467 -2.616 -9.851 1.00 0.00 C ATOM 1059 C THR B 52 -13.843 -1.196 -9.442 1.00 0.00 C ATOM 1060 O THR B 52 -13.615 -0.240 -10.184 1.00 0.00 O ATOM 1061 CB THR B 52 -14.338 -3.085 -11.045 1.00 0.00 C ATOM 1062 OG1 THR B 52 -14.022 -2.321 -12.219 1.00 0.00 O ATOM 1063 CG2 THR B 52 -15.821 -2.951 -10.750 1.00 0.00 C ATOM 0 H THR B 52 -14.487 -3.929 -8.570 1.00 0.00 H new ATOM 0 HA THR B 52 -12.431 -2.637 -10.189 1.00 0.00 H new ATOM 0 HB THR B 52 -14.115 -4.139 -11.213 1.00 0.00 H new ATOM 0 HG1 THR B 52 -13.836 -1.393 -11.965 1.00 0.00 H new ATOM 0 HG21 THR B 52 -16.396 -3.290 -11.612 1.00 0.00 H new ATOM 0 HG22 THR B 52 -16.076 -3.559 -9.882 1.00 0.00 H new ATOM 0 HG23 THR B 52 -16.058 -1.907 -10.544 1.00 0.00 H new ATOM 1071 N LEU B 53 -14.410 -1.067 -8.249 1.00 0.00 N ATOM 1072 CA LEU B 53 -14.835 0.228 -7.742 1.00 0.00 C ATOM 1073 C LEU B 53 -13.811 0.791 -6.774 1.00 0.00 C ATOM 1074 O LEU B 53 -13.590 1.997 -6.720 1.00 0.00 O ATOM 1075 CB LEU B 53 -16.173 0.109 -7.032 1.00 0.00 C ATOM 1076 CG LEU B 53 -17.278 -0.562 -7.845 1.00 0.00 C ATOM 1077 CD1 LEU B 53 -18.606 -0.494 -7.115 1.00 0.00 C ATOM 1078 CD2 LEU B 53 -17.393 0.046 -9.231 1.00 0.00 C ATOM 0 H LEU B 53 -14.586 -1.846 -7.615 1.00 0.00 H new ATOM 0 HA LEU B 53 -14.932 0.901 -8.594 1.00 0.00 H new ATOM 0 HB2 LEU B 53 -16.029 -0.453 -6.109 1.00 0.00 H new ATOM 0 HB3 LEU B 53 -16.507 1.107 -6.748 1.00 0.00 H new ATOM 0 HG LEU B 53 -17.008 -1.611 -7.964 1.00 0.00 H new ATOM 0 HD11 LEU B 53 -19.376 -0.979 -7.715 1.00 0.00 H new ATOM 0 HD12 LEU B 53 -18.520 -1.003 -6.155 1.00 0.00 H new ATOM 0 HD13 LEU B 53 -18.877 0.549 -6.950 1.00 0.00 H new ATOM 0 HD21 LEU B 53 -18.189 -0.454 -9.783 1.00 0.00 H new ATOM 0 HD22 LEU B 53 -17.624 1.108 -9.145 1.00 0.00 H new ATOM 0 HD23 LEU B 53 -16.449 -0.078 -9.762 1.00 0.00 H new ATOM 1090 N ILE B 54 -13.195 -0.096 -6.003 1.00 0.00 N ATOM 1091 CA ILE B 54 -12.201 0.300 -5.011 1.00 0.00 C ATOM 1092 C ILE B 54 -11.068 1.167 -5.604 1.00 0.00 C ATOM 1093 O ILE B 54 -10.627 2.113 -4.955 1.00 0.00 O ATOM 1094 CB ILE B 54 -11.588 -0.925 -4.287 1.00 0.00 C ATOM 1095 CG1 ILE B 54 -12.671 -1.736 -3.571 1.00 0.00 C ATOM 1096 CG2 ILE B 54 -10.527 -0.477 -3.291 1.00 0.00 C ATOM 1097 CD1 ILE B 54 -13.462 -0.933 -2.566 1.00 0.00 C ATOM 0 H ILE B 54 -13.367 -1.100 -6.046 1.00 0.00 H new ATOM 0 HA ILE B 54 -12.744 0.908 -4.287 1.00 0.00 H new ATOM 0 HB ILE B 54 -11.122 -1.562 -5.038 1.00 0.00 H new ATOM 0 HG12 ILE B 54 -13.355 -2.148 -4.313 1.00 0.00 H new ATOM 0 HG13 ILE B 54 -12.205 -2.580 -3.063 1.00 0.00 H new ATOM 0 HG21 ILE B 54 -10.106 -1.349 -2.791 1.00 0.00 H new ATOM 0 HG22 ILE B 54 -9.736 0.056 -3.818 1.00 0.00 H new ATOM 0 HG23 ILE B 54 -10.979 0.183 -2.551 1.00 0.00 H new ATOM 0 HD11 ILE B 54 -14.211 -1.572 -2.098 1.00 0.00 H new ATOM 0 HD12 ILE B 54 -12.790 -0.543 -1.802 1.00 0.00 H new ATOM 0 HD13 ILE B 54 -13.957 -0.104 -3.071 1.00 0.00 H new ATOM 1109 N PRO B 55 -10.562 0.859 -6.827 1.00 0.00 N ATOM 1110 CA PRO B 55 -9.556 1.695 -7.514 1.00 0.00 C ATOM 1111 C PRO B 55 -9.933 3.182 -7.594 1.00 0.00 C ATOM 1112 O PRO B 55 -9.074 4.036 -7.827 1.00 0.00 O ATOM 1113 CB PRO B 55 -9.490 1.088 -8.914 1.00 0.00 C ATOM 1114 CG PRO B 55 -9.850 -0.339 -8.712 1.00 0.00 C ATOM 1115 CD PRO B 55 -10.874 -0.349 -7.615 1.00 0.00 C ATOM 0 HA PRO B 55 -8.609 1.690 -6.974 1.00 0.00 H new ATOM 0 HB2 PRO B 55 -10.184 1.581 -9.595 1.00 0.00 H new ATOM 0 HB3 PRO B 55 -8.494 1.190 -9.345 1.00 0.00 H new ATOM 0 HG2 PRO B 55 -10.252 -0.774 -9.627 1.00 0.00 H new ATOM 0 HG3 PRO B 55 -8.975 -0.928 -8.436 1.00 0.00 H new ATOM 0 HD2 PRO B 55 -11.888 -0.315 -8.014 1.00 0.00 H new ATOM 0 HD3 PRO B 55 -10.801 -1.252 -7.008 1.00 0.00 H new ATOM 1123 N GLU B 56 -11.211 3.489 -7.412 1.00 0.00 N ATOM 1124 CA GLU B 56 -11.663 4.874 -7.385 1.00 0.00 C ATOM 1125 C GLU B 56 -11.266 5.527 -6.068 1.00 0.00 C ATOM 1126 O GLU B 56 -10.980 6.724 -6.007 1.00 0.00 O ATOM 1127 CB GLU B 56 -13.181 4.958 -7.559 1.00 0.00 C ATOM 1128 CG GLU B 56 -13.685 4.357 -8.858 1.00 0.00 C ATOM 1129 CD GLU B 56 -12.978 4.925 -10.068 1.00 0.00 C ATOM 1130 OE1 GLU B 56 -12.309 4.152 -10.789 1.00 0.00 O ATOM 1131 OE2 GLU B 56 -13.082 6.149 -10.301 1.00 0.00 O1- ATOM 0 H GLU B 56 -11.951 2.800 -7.281 1.00 0.00 H new ATOM 0 HA GLU B 56 -11.188 5.401 -8.212 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -13.661 4.448 -6.724 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -13.485 6.004 -7.512 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -13.546 3.276 -8.833 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -14.756 4.539 -8.948 1.00 0.00 H new ATOM 1138 N SER B 57 -11.249 4.730 -5.016 1.00 0.00 N ATOM 1139 CA SER B 57 -10.930 5.213 -3.690 1.00 0.00 C ATOM 1140 C SER B 57 -9.428 5.111 -3.420 1.00 0.00 C ATOM 1141 O SER B 57 -8.870 5.915 -2.668 1.00 0.00 O ATOM 1142 CB SER B 57 -11.705 4.398 -2.661 1.00 0.00 C ATOM 1143 OG SER B 57 -13.076 4.305 -3.016 1.00 0.00 O ATOM 0 H SER B 57 -11.456 3.732 -5.059 1.00 0.00 H new ATOM 0 HA SER B 57 -11.214 6.263 -3.617 1.00 0.00 H new ATOM 0 HB2 SER B 57 -11.276 3.399 -2.585 1.00 0.00 H new ATOM 0 HB3 SER B 57 -11.610 4.861 -1.679 1.00 0.00 H new ATOM 0 HG SER B 57 -13.576 5.029 -2.584 1.00 0.00 H new ATOM 1149 N THR B 58 -8.783 4.126 -4.041 1.00 0.00 N ATOM 1150 CA THR B 58 -7.354 3.893 -3.845 1.00 0.00 C ATOM 1151 C THR B 58 -6.533 5.114 -4.243 1.00 0.00 C ATOM 1152 O THR B 58 -5.788 5.659 -3.431 1.00 0.00 O ATOM 1153 CB THR B 58 -6.858 2.671 -4.651 1.00 0.00 C ATOM 1154 OG1 THR B 58 -7.225 2.811 -6.025 1.00 0.00 O ATOM 1155 CG2 THR B 58 -7.436 1.376 -4.107 1.00 0.00 C ATOM 0 H THR B 58 -9.229 3.474 -4.686 1.00 0.00 H new ATOM 0 HA THR B 58 -7.217 3.696 -2.782 1.00 0.00 H new ATOM 0 HB THR B 58 -5.773 2.630 -4.558 1.00 0.00 H new ATOM 0 HG1 THR B 58 -6.725 2.163 -6.565 1.00 0.00 H new ATOM 0 HG21 THR B 58 -7.067 0.537 -4.697 1.00 0.00 H new ATOM 0 HG22 THR B 58 -7.133 1.250 -3.068 1.00 0.00 H new ATOM 0 HG23 THR B 58 -8.524 1.410 -4.166 1.00 0.00 H new ATOM 1163 N LYS B 59 -6.694 5.547 -5.489 1.00 0.00 N ATOM 1164 CA LYS B 59 -5.941 6.680 -6.017 1.00 0.00 C ATOM 1165 C LYS B 59 -6.271 7.953 -5.239 1.00 0.00 C ATOM 1166 O LYS B 59 -5.419 8.823 -5.049 1.00 0.00 O ATOM 1167 CB LYS B 59 -6.261 6.871 -7.501 1.00 0.00 C ATOM 1168 CG LYS B 59 -5.290 7.786 -8.225 1.00 0.00 C ATOM 1169 CD LYS B 59 -3.921 7.141 -8.371 1.00 0.00 C ATOM 1170 CE LYS B 59 -2.942 8.060 -9.081 1.00 0.00 C ATOM 1171 NZ LYS B 59 -2.640 9.279 -8.283 1.00 0.00 N1+ ATOM 0 H LYS B 59 -7.343 5.128 -6.155 1.00 0.00 H new ATOM 0 HA LYS B 59 -4.876 6.475 -5.905 1.00 0.00 H new ATOM 0 HB2 LYS B 59 -6.262 5.897 -7.991 1.00 0.00 H new ATOM 0 HB3 LYS B 59 -7.268 7.277 -7.596 1.00 0.00 H new ATOM 0 HG2 LYS B 59 -5.685 8.031 -9.211 1.00 0.00 H new ATOM 0 HG3 LYS B 59 -5.195 8.724 -7.678 1.00 0.00 H new ATOM 0 HD2 LYS B 59 -3.532 6.886 -7.385 1.00 0.00 H new ATOM 0 HD3 LYS B 59 -4.015 6.209 -8.928 1.00 0.00 H new ATOM 0 HE2 LYS B 59 -2.017 7.519 -9.280 1.00 0.00 H new ATOM 0 HE3 LYS B 59 -3.355 8.352 -10.047 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 -1.918 9.844 -8.773 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 -3.506 9.844 -8.172 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 -2.285 9.001 -7.346 1.00 0.00 H new ATOM 1185 N LYS B 60 -7.514 8.035 -4.787 1.00 0.00 N ATOM 1186 CA LYS B 60 -7.990 9.158 -3.988 1.00 0.00 C ATOM 1187 C LYS B 60 -7.234 9.241 -2.664 1.00 0.00 C ATOM 1188 O LYS B 60 -6.502 10.197 -2.408 1.00 0.00 O ATOM 1189 CB LYS B 60 -9.486 8.984 -3.725 1.00 0.00 C ATOM 1190 CG LYS B 60 -10.104 10.066 -2.859 1.00 0.00 C ATOM 1191 CD LYS B 60 -11.551 9.738 -2.536 1.00 0.00 C ATOM 1192 CE LYS B 60 -11.666 8.626 -1.502 1.00 0.00 C ATOM 1193 NZ LYS B 60 -11.319 9.095 -0.135 1.00 0.00 N1+ ATOM 0 H LYS B 60 -8.223 7.324 -4.964 1.00 0.00 H new ATOM 0 HA LYS B 60 -7.815 10.084 -4.536 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -10.009 8.959 -4.681 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -9.648 8.018 -3.247 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -9.535 10.168 -1.935 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -10.050 11.025 -3.374 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -12.051 10.632 -2.164 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -12.068 9.440 -3.448 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -12.683 8.235 -1.503 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -11.008 7.803 -1.780 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -10.618 8.452 0.285 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -10.921 10.054 -0.188 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -12.175 9.108 0.455 1.00 0.00 H new ATOM 1207 N CYS B 61 -7.413 8.219 -1.836 1.00 0.00 N ATOM 1208 CA CYS B 61 -6.769 8.155 -0.527 1.00 0.00 C ATOM 1209 C CYS B 61 -5.250 8.124 -0.652 1.00 0.00 C ATOM 1210 O CYS B 61 -4.538 8.528 0.267 1.00 0.00 O ATOM 1211 CB CYS B 61 -7.265 6.925 0.230 1.00 0.00 C ATOM 1212 SG CYS B 61 -9.073 6.892 0.466 1.00 0.00 S ATOM 0 H CYS B 61 -8.004 7.416 -2.049 1.00 0.00 H new ATOM 0 HA CYS B 61 -7.034 9.055 0.028 1.00 0.00 H new ATOM 0 HB2 CYS B 61 -6.961 6.029 -0.311 1.00 0.00 H new ATOM 0 HB3 CYS B 61 -6.779 6.889 1.205 1.00 0.00 H new ATOM 1217 N GLN B 62 -4.757 7.639 -1.786 1.00 0.00 N ATOM 1218 CA GLN B 62 -3.329 7.647 -2.060 1.00 0.00 C ATOM 1219 C GLN B 62 -2.785 9.064 -1.987 1.00 0.00 C ATOM 1220 O GLN B 62 -1.945 9.364 -1.148 1.00 0.00 O ATOM 1221 CB GLN B 62 -3.037 7.059 -3.438 1.00 0.00 C ATOM 1222 CG GLN B 62 -1.580 7.182 -3.847 1.00 0.00 C ATOM 1223 CD GLN B 62 -1.349 6.774 -5.285 1.00 0.00 C ATOM 1224 OE1 GLN B 62 -1.439 7.597 -6.196 1.00 0.00 O ATOM 1225 NE2 GLN B 62 -1.058 5.503 -5.501 1.00 0.00 N ATOM 0 H GLN B 62 -5.327 7.236 -2.529 1.00 0.00 H new ATOM 0 HA GLN B 62 -2.838 7.033 -1.305 1.00 0.00 H new ATOM 0 HB2 GLN B 62 -3.321 6.007 -3.444 1.00 0.00 H new ATOM 0 HB3 GLN B 62 -3.659 7.561 -4.179 1.00 0.00 H new ATOM 0 HG2 GLN B 62 -1.252 8.212 -3.707 1.00 0.00 H new ATOM 0 HG3 GLN B 62 -0.968 6.561 -3.193 1.00 0.00 H new ATOM 0 HE21 GLN B 62 -0.993 4.854 -4.717 1.00 0.00 H new ATOM 0 HE22 GLN B 62 -0.898 5.171 -6.452 1.00 0.00 H new ATOM 1234 N ASP B 63 -3.295 9.935 -2.854 1.00 0.00 N ATOM 1235 CA ASP B 63 -2.833 11.319 -2.916 1.00 0.00 C ATOM 1236 C ASP B 63 -3.066 12.027 -1.588 1.00 0.00 C ATOM 1237 O ASP B 63 -2.277 12.887 -1.183 1.00 0.00 O ATOM 1238 CB ASP B 63 -3.544 12.072 -4.043 1.00 0.00 C ATOM 1239 CG ASP B 63 -3.155 13.538 -4.096 1.00 0.00 C ATOM 1240 OD1 ASP B 63 -3.935 14.383 -3.606 1.00 0.00 O ATOM 1241 OD2 ASP B 63 -2.069 13.854 -4.629 1.00 0.00 O1- ATOM 0 H ASP B 63 -4.029 9.706 -3.524 1.00 0.00 H new ATOM 0 HA ASP B 63 -1.762 11.308 -3.120 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -3.306 11.601 -4.997 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -4.622 11.990 -3.907 1.00 0.00 H new ATOM 1246 N GLU B 64 -4.145 11.641 -0.913 1.00 0.00 N ATOM 1247 CA GLU B 64 -4.500 12.175 0.370 1.00 0.00 C ATOM 1248 C GLU B 64 -3.351 12.038 1.356 1.00 0.00 C ATOM 1249 O GLU B 64 -2.879 13.014 1.939 1.00 0.00 O ATOM 1250 CB GLU B 64 -5.704 11.383 0.862 1.00 0.00 C ATOM 1251 CG GLU B 64 -6.835 12.247 1.360 1.00 0.00 C ATOM 1252 CD GLU B 64 -6.408 13.241 2.424 1.00 0.00 C ATOM 1253 OE1 GLU B 64 -6.051 14.383 2.064 1.00 0.00 O ATOM 1254 OE2 GLU B 64 -6.424 12.886 3.623 1.00 0.00 O1- ATOM 0 H GLU B 64 -4.798 10.938 -1.259 1.00 0.00 H new ATOM 0 HA GLU B 64 -4.730 13.237 0.287 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -6.070 10.753 0.051 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -5.387 10.717 1.664 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -7.266 12.789 0.519 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -7.620 11.608 1.764 1.00 0.00 H new ATOM 1261 N LEU B 65 -2.897 10.816 1.519 1.00 0.00 N ATOM 1262 CA LEU B 65 -1.922 10.490 2.538 1.00 0.00 C ATOM 1263 C LEU B 65 -0.495 10.613 2.012 1.00 0.00 C ATOM 1264 O LEU B 65 0.424 10.882 2.778 1.00 0.00 O ATOM 1265 CB LEU B 65 -2.220 9.094 3.070 1.00 0.00 C ATOM 1266 CG LEU B 65 -3.685 8.907 3.478 1.00 0.00 C ATOM 1267 CD1 LEU B 65 -3.982 7.464 3.801 1.00 0.00 C ATOM 1268 CD2 LEU B 65 -4.034 9.798 4.660 1.00 0.00 C ATOM 0 H LEU B 65 -3.191 10.021 0.951 1.00 0.00 H new ATOM 0 HA LEU B 65 -1.999 11.205 3.357 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -1.965 8.359 2.307 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -1.581 8.895 3.930 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.305 9.198 2.630 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -5.029 7.363 4.087 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -3.784 6.847 2.925 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -3.348 7.138 4.625 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -5.079 9.649 4.932 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -3.398 9.543 5.508 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.876 10.842 4.388 1.00 0.00 H new ATOM 1280 N TYR B 66 -0.325 10.421 0.703 1.00 0.00 N ATOM 1281 CA TYR B 66 0.974 10.575 0.032 1.00 0.00 C ATOM 1282 C TYR B 66 1.671 11.868 0.451 1.00 0.00 C ATOM 1283 O TYR B 66 2.889 11.892 0.645 1.00 0.00 O ATOM 1284 CB TYR B 66 0.770 10.549 -1.492 1.00 0.00 C ATOM 1285 CG TYR B 66 1.969 10.989 -2.309 1.00 0.00 C ATOM 1286 CD1 TYR B 66 2.953 10.083 -2.683 1.00 0.00 C ATOM 1287 CD2 TYR B 66 2.109 12.311 -2.719 1.00 0.00 C ATOM 1288 CE1 TYR B 66 4.039 10.480 -3.438 1.00 0.00 C ATOM 1289 CE2 TYR B 66 3.193 12.714 -3.472 1.00 0.00 C ATOM 1290 CZ TYR B 66 4.155 11.796 -3.830 1.00 0.00 C ATOM 1291 OH TYR B 66 5.238 12.196 -4.577 1.00 0.00 O ATOM 0 H TYR B 66 -1.083 10.154 0.074 1.00 0.00 H new ATOM 0 HA TYR B 66 1.615 9.745 0.330 1.00 0.00 H new ATOM 0 HB2 TYR B 66 0.499 9.536 -1.789 1.00 0.00 H new ATOM 0 HB3 TYR B 66 -0.075 11.191 -1.741 1.00 0.00 H new ATOM 0 HD1 TYR B 66 2.867 9.050 -2.378 1.00 0.00 H new ATOM 0 HD2 TYR B 66 1.356 13.035 -2.443 1.00 0.00 H new ATOM 0 HE1 TYR B 66 4.795 9.762 -3.720 1.00 0.00 H new ATOM 0 HE2 TYR B 66 3.286 13.745 -3.779 1.00 0.00 H new ATOM 0 HH TYR B 66 5.166 13.154 -4.770 1.00 0.00 H new ATOM 1301 N ALA B 67 0.894 12.929 0.612 1.00 0.00 N ATOM 1302 CA ALA B 67 1.437 14.228 0.989 1.00 0.00 C ATOM 1303 C ALA B 67 2.036 14.198 2.396 1.00 0.00 C ATOM 1304 O ALA B 67 2.976 14.930 2.694 1.00 0.00 O ATOM 1305 CB ALA B 67 0.355 15.291 0.898 1.00 0.00 C ATOM 0 H ALA B 67 -0.118 12.917 0.487 1.00 0.00 H new ATOM 0 HA ALA B 67 2.239 14.473 0.293 1.00 0.00 H new ATOM 0 HB1 ALA B 67 0.770 16.258 1.182 1.00 0.00 H new ATOM 0 HB2 ALA B 67 -0.019 15.343 -0.124 1.00 0.00 H new ATOM 0 HB3 ALA B 67 -0.463 15.036 1.571 1.00 0.00 H new ATOM 1311 N SER B 68 1.503 13.335 3.248 1.00 0.00 N ATOM 1312 CA SER B 68 1.952 13.251 4.629 1.00 0.00 C ATOM 1313 C SER B 68 2.912 12.071 4.810 1.00 0.00 C ATOM 1314 O SER B 68 3.519 11.902 5.871 1.00 0.00 O ATOM 1315 CB SER B 68 0.738 13.110 5.555 1.00 0.00 C ATOM 1316 OG SER B 68 1.102 13.238 6.920 1.00 0.00 O ATOM 0 H SER B 68 0.758 12.682 3.006 1.00 0.00 H new ATOM 0 HA SER B 68 2.489 14.164 4.887 1.00 0.00 H new ATOM 0 HB2 SER B 68 -0.002 13.869 5.303 1.00 0.00 H new ATOM 0 HB3 SER B 68 0.267 12.140 5.393 1.00 0.00 H new ATOM 0 HG SER B 68 2.039 12.975 7.035 1.00 0.00 H new ATOM 1322 N MET B 69 3.046 11.262 3.769 1.00 0.00 N ATOM 1323 CA MET B 69 3.929 10.106 3.801 1.00 0.00 C ATOM 1324 C MET B 69 5.386 10.540 3.697 1.00 0.00 C ATOM 1325 O MET B 69 5.706 11.506 2.999 1.00 0.00 O ATOM 1326 CB MET B 69 3.595 9.154 2.651 1.00 0.00 C ATOM 1327 CG MET B 69 2.260 8.448 2.806 1.00 0.00 C ATOM 1328 SD MET B 69 1.851 7.416 1.385 1.00 0.00 S ATOM 1329 CE MET B 69 3.152 6.189 1.464 1.00 0.00 C ATOM 0 H MET B 69 2.551 11.387 2.886 1.00 0.00 H new ATOM 0 HA MET B 69 3.781 9.591 4.750 1.00 0.00 H new ATOM 0 HB2 MET B 69 3.592 9.715 1.717 1.00 0.00 H new ATOM 0 HB3 MET B 69 4.384 8.406 2.571 1.00 0.00 H new ATOM 0 HG2 MET B 69 2.282 7.831 3.704 1.00 0.00 H new ATOM 0 HG3 MET B 69 1.475 9.191 2.949 1.00 0.00 H new ATOM 0 HE1 MET B 69 3.022 5.468 0.657 1.00 0.00 H new ATOM 0 HE2 MET B 69 4.120 6.678 1.361 1.00 0.00 H new ATOM 0 HE3 MET B 69 3.107 5.672 2.422 1.00 0.00 H new ATOM 1339 N PRO B 70 6.282 9.833 4.401 1.00 0.00 N ATOM 1340 CA PRO B 70 7.722 10.096 4.348 1.00 0.00 C ATOM 1341 C PRO B 70 8.328 9.670 3.014 1.00 0.00 C ATOM 1342 O PRO B 70 7.620 9.140 2.156 1.00 0.00 O ATOM 1343 CB PRO B 70 8.281 9.246 5.490 1.00 0.00 C ATOM 1344 CG PRO B 70 7.303 8.135 5.644 1.00 0.00 C ATOM 1345 CD PRO B 70 5.960 8.720 5.312 1.00 0.00 C ATOM 0 HA PRO B 70 7.953 11.157 4.444 1.00 0.00 H new ATOM 0 HB2 PRO B 70 9.276 8.869 5.253 1.00 0.00 H new ATOM 0 HB3 PRO B 70 8.370 9.826 6.409 1.00 0.00 H new ATOM 0 HG2 PRO B 70 7.544 7.307 4.977 1.00 0.00 H new ATOM 0 HG3 PRO B 70 7.317 7.740 6.660 1.00 0.00 H new ATOM 0 HD2 PRO B 70 5.310 7.987 4.835 1.00 0.00 H new ATOM 0 HD3 PRO B 70 5.443 9.070 6.206 1.00 0.00 H new ATOM 1353 N ASP B 71 9.626 9.887 2.841 1.00 0.00 N ATOM 1354 CA ASP B 71 10.289 9.574 1.577 1.00 0.00 C ATOM 1355 C ASP B 71 10.202 8.084 1.278 1.00 0.00 C ATOM 1356 O ASP B 71 9.795 7.673 0.187 1.00 0.00 O ATOM 1357 CB ASP B 71 11.757 9.999 1.621 1.00 0.00 C ATOM 1358 CG ASP B 71 12.445 9.839 0.280 1.00 0.00 C ATOM 1359 OD1 ASP B 71 12.220 10.682 -0.612 1.00 0.00 O ATOM 1360 OD2 ASP B 71 13.226 8.882 0.113 1.00 0.00 O1- ATOM 0 H ASP B 71 10.240 10.277 3.556 1.00 0.00 H new ATOM 0 HA ASP B 71 9.780 10.126 0.787 1.00 0.00 H new ATOM 0 HB2 ASP B 71 11.822 11.040 1.938 1.00 0.00 H new ATOM 0 HB3 ASP B 71 12.282 9.405 2.369 1.00 0.00 H new ATOM 1365 N LYS B 72 10.564 7.280 2.264 1.00 0.00 N ATOM 1366 CA LYS B 72 10.579 5.842 2.101 1.00 0.00 C ATOM 1367 C LYS B 72 9.678 5.185 3.133 1.00 0.00 C ATOM 1368 O LYS B 72 9.340 5.789 4.151 1.00 0.00 O ATOM 1369 CB LYS B 72 12.004 5.311 2.217 1.00 0.00 C ATOM 1370 CG LYS B 72 12.969 5.949 1.232 1.00 0.00 C ATOM 1371 CD LYS B 72 14.372 5.387 1.372 1.00 0.00 C ATOM 1372 CE LYS B 72 15.343 6.071 0.427 1.00 0.00 C ATOM 1373 NZ LYS B 72 15.420 7.536 0.671 1.00 0.00 N1+ ATOM 0 H LYS B 72 10.852 7.604 3.188 1.00 0.00 H new ATOM 0 HA LYS B 72 10.200 5.598 1.108 1.00 0.00 H new ATOM 0 HB2 LYS B 72 12.366 5.482 3.231 1.00 0.00 H new ATOM 0 HB3 LYS B 72 11.996 4.233 2.059 1.00 0.00 H new ATOM 0 HG2 LYS B 72 12.612 5.785 0.215 1.00 0.00 H new ATOM 0 HG3 LYS B 72 12.992 7.027 1.392 1.00 0.00 H new ATOM 0 HD2 LYS B 72 14.714 5.512 2.399 1.00 0.00 H new ATOM 0 HD3 LYS B 72 14.358 4.316 1.168 1.00 0.00 H new ATOM 0 HE2 LYS B 72 16.334 5.631 0.544 1.00 0.00 H new ATOM 0 HE3 LYS B 72 15.034 5.891 -0.603 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 16.346 7.892 0.359 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 14.667 8.017 0.138 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 15.301 7.726 1.687 1.00 0.00 H new ATOM 1387 N ILE B 73 9.305 3.944 2.871 1.00 0.00 N ATOM 1388 CA ILE B 73 8.323 3.240 3.676 1.00 0.00 C ATOM 1389 C ILE B 73 8.855 1.877 4.118 1.00 0.00 C ATOM 1390 O ILE B 73 9.047 0.982 3.294 1.00 0.00 O ATOM 1391 CB ILE B 73 7.017 3.038 2.872 1.00 0.00 C ATOM 1392 CG1 ILE B 73 6.425 4.386 2.441 1.00 0.00 C ATOM 1393 CG2 ILE B 73 6.000 2.246 3.681 1.00 0.00 C ATOM 1394 CD1 ILE B 73 6.008 5.275 3.593 1.00 0.00 C ATOM 0 H ILE B 73 9.675 3.396 2.094 1.00 0.00 H new ATOM 0 HA ILE B 73 8.120 3.845 4.560 1.00 0.00 H new ATOM 0 HB ILE B 73 7.261 2.469 1.975 1.00 0.00 H new ATOM 0 HG12 ILE B 73 7.160 4.916 1.835 1.00 0.00 H new ATOM 0 HG13 ILE B 73 5.559 4.203 1.805 1.00 0.00 H new ATOM 0 HG21 ILE B 73 5.090 2.117 3.095 1.00 0.00 H new ATOM 0 HG22 ILE B 73 6.414 1.269 3.929 1.00 0.00 H new ATOM 0 HG23 ILE B 73 5.767 2.785 4.599 1.00 0.00 H new ATOM 0 HD11 ILE B 73 5.600 6.208 3.204 1.00 0.00 H new ATOM 0 HD12 ILE B 73 5.249 4.767 4.188 1.00 0.00 H new ATOM 0 HD13 ILE B 73 6.874 5.491 4.218 1.00 0.00 H new ATOM 1406 N ASN B 74 9.112 1.727 5.413 1.00 0.00 N ATOM 1407 CA ASN B 74 9.549 0.446 5.958 1.00 0.00 C ATOM 1408 C ASN B 74 8.343 -0.399 6.362 1.00 0.00 C ATOM 1409 O ASN B 74 7.202 0.045 6.229 1.00 0.00 O ATOM 1410 CB ASN B 74 10.476 0.643 7.161 1.00 0.00 C ATOM 1411 CG ASN B 74 9.787 1.310 8.338 1.00 0.00 C ATOM 1412 OD1 ASN B 74 9.115 0.656 9.136 1.00 0.00 O ATOM 1413 ND2 ASN B 74 9.968 2.611 8.468 1.00 0.00 N ATOM 0 H ASN B 74 9.026 2.473 6.103 1.00 0.00 H new ATOM 0 HA ASN B 74 10.106 -0.075 5.180 1.00 0.00 H new ATOM 0 HB2 ASN B 74 10.864 -0.326 7.476 1.00 0.00 H new ATOM 0 HB3 ASN B 74 11.332 1.247 6.858 1.00 0.00 H new ATOM 0 HD21 ASN B 74 9.544 3.109 9.251 1.00 0.00 H new ATOM 0 HD22 ASN B 74 10.532 3.118 7.786 1.00 0.00 H new ATOM 1420 N SER B 75 8.606 -1.600 6.876 1.00 0.00 N ATOM 1421 CA SER B 75 7.555 -2.558 7.211 1.00 0.00 C ATOM 1422 C SER B 75 6.494 -1.954 8.139 1.00 0.00 C ATOM 1423 O SER B 75 5.293 -2.072 7.880 1.00 0.00 O ATOM 1424 CB SER B 75 8.174 -3.796 7.863 1.00 0.00 C ATOM 1425 OG SER B 75 9.219 -4.327 7.060 1.00 0.00 O ATOM 0 H SER B 75 9.550 -1.935 7.071 1.00 0.00 H new ATOM 0 HA SER B 75 7.055 -2.836 6.283 1.00 0.00 H new ATOM 0 HB2 SER B 75 8.563 -3.536 8.847 1.00 0.00 H new ATOM 0 HB3 SER B 75 7.406 -4.554 8.014 1.00 0.00 H new ATOM 0 HG SER B 75 9.600 -5.116 7.499 1.00 0.00 H new ATOM 1431 N GLU B 76 6.938 -1.290 9.199 1.00 0.00 N ATOM 1432 CA GLU B 76 6.018 -0.730 10.182 1.00 0.00 C ATOM 1433 C GLU B 76 5.245 0.446 9.595 1.00 0.00 C ATOM 1434 O GLU B 76 4.029 0.550 9.770 1.00 0.00 O ATOM 1435 CB GLU B 76 6.773 -0.288 11.437 1.00 0.00 C ATOM 1436 CG GLU B 76 5.879 0.364 12.479 1.00 0.00 C ATOM 1437 CD GLU B 76 6.633 0.780 13.720 1.00 0.00 C ATOM 1438 OE1 GLU B 76 6.645 0.003 14.699 1.00 0.00 O ATOM 1439 OE2 GLU B 76 7.214 1.886 13.730 1.00 0.00 O1- ATOM 0 H GLU B 76 7.925 -1.126 9.400 1.00 0.00 H new ATOM 0 HA GLU B 76 5.307 -1.509 10.457 1.00 0.00 H new ATOM 0 HB2 GLU B 76 7.264 -1.154 11.881 1.00 0.00 H new ATOM 0 HB3 GLU B 76 7.558 0.413 11.152 1.00 0.00 H new ATOM 0 HG2 GLU B 76 5.397 1.239 12.042 1.00 0.00 H new ATOM 0 HG3 GLU B 76 5.086 -0.331 12.757 1.00 0.00 H new ATOM 1446 N THR B 77 5.949 1.313 8.882 1.00 0.00 N ATOM 1447 CA THR B 77 5.335 2.493 8.292 1.00 0.00 C ATOM 1448 C THR B 77 4.326 2.082 7.219 1.00 0.00 C ATOM 1449 O THR B 77 3.329 2.770 6.983 1.00 0.00 O ATOM 1450 CB THR B 77 6.407 3.428 7.697 1.00 0.00 C ATOM 1451 OG1 THR B 77 7.398 3.716 8.692 1.00 0.00 O ATOM 1452 CG2 THR B 77 5.799 4.732 7.211 1.00 0.00 C ATOM 0 H THR B 77 6.948 1.221 8.698 1.00 0.00 H new ATOM 0 HA THR B 77 4.809 3.037 9.076 1.00 0.00 H new ATOM 0 HB THR B 77 6.860 2.920 6.845 1.00 0.00 H new ATOM 0 HG1 THR B 77 8.071 4.322 8.317 1.00 0.00 H new ATOM 0 HG21 THR B 77 6.583 5.367 6.798 1.00 0.00 H new ATOM 0 HG22 THR B 77 5.057 4.523 6.440 1.00 0.00 H new ATOM 0 HG23 THR B 77 5.320 5.244 8.046 1.00 0.00 H new ATOM 1460 N ALA B 78 4.585 0.940 6.594 1.00 0.00 N ATOM 1461 CA ALA B 78 3.679 0.372 5.610 1.00 0.00 C ATOM 1462 C ALA B 78 2.314 0.095 6.229 1.00 0.00 C ATOM 1463 O ALA B 78 1.286 0.478 5.677 1.00 0.00 O ATOM 1464 CB ALA B 78 4.272 -0.904 5.038 1.00 0.00 C ATOM 0 H ALA B 78 5.426 0.386 6.756 1.00 0.00 H new ATOM 0 HA ALA B 78 3.544 1.092 4.803 1.00 0.00 H new ATOM 0 HB1 ALA B 78 3.588 -1.325 4.301 1.00 0.00 H new ATOM 0 HB2 ALA B 78 5.226 -0.680 4.561 1.00 0.00 H new ATOM 0 HB3 ALA B 78 4.428 -1.624 5.841 1.00 0.00 H new ATOM 1470 N GLY B 79 2.317 -0.553 7.390 1.00 0.00 N ATOM 1471 CA GLY B 79 1.074 -0.843 8.081 1.00 0.00 C ATOM 1472 C GLY B 79 0.345 0.419 8.492 1.00 0.00 C ATOM 1473 O GLY B 79 -0.883 0.492 8.407 1.00 0.00 O ATOM 0 H GLY B 79 3.158 -0.882 7.864 1.00 0.00 H new ATOM 0 HA2 GLY B 79 0.430 -1.439 7.434 1.00 0.00 H new ATOM 0 HA3 GLY B 79 1.283 -1.445 8.965 1.00 0.00 H new ATOM 1477 N THR B 80 1.111 1.418 8.921 1.00 0.00 N ATOM 1478 CA THR B 80 0.558 2.700 9.336 1.00 0.00 C ATOM 1479 C THR B 80 -0.311 3.316 8.236 1.00 0.00 C ATOM 1480 O THR B 80 -1.491 3.608 8.448 1.00 0.00 O ATOM 1481 CB THR B 80 1.685 3.686 9.710 1.00 0.00 C ATOM 1482 OG1 THR B 80 2.547 3.092 10.693 1.00 0.00 O ATOM 1483 CG2 THR B 80 1.116 4.990 10.252 1.00 0.00 C ATOM 0 H THR B 80 2.127 1.361 8.990 1.00 0.00 H new ATOM 0 HA THR B 80 -0.065 2.515 10.211 1.00 0.00 H new ATOM 0 HB THR B 80 2.255 3.908 8.807 1.00 0.00 H new ATOM 0 HG1 THR B 80 3.091 2.394 10.272 1.00 0.00 H new ATOM 0 HG21 THR B 80 1.933 5.665 10.507 1.00 0.00 H new ATOM 0 HG22 THR B 80 0.485 5.454 9.494 1.00 0.00 H new ATOM 0 HG23 THR B 80 0.523 4.785 11.143 1.00 0.00 H new ATOM 1491 N TRP B 81 0.263 3.487 7.054 1.00 0.00 N ATOM 1492 CA TRP B 81 -0.454 4.116 5.955 1.00 0.00 C ATOM 1493 C TRP B 81 -1.389 3.126 5.278 1.00 0.00 C ATOM 1494 O TRP B 81 -2.417 3.516 4.725 1.00 0.00 O ATOM 1495 CB TRP B 81 0.527 4.711 4.947 1.00 0.00 C ATOM 1496 CG TRP B 81 1.390 5.774 5.548 1.00 0.00 C ATOM 1497 CD1 TRP B 81 2.708 5.672 5.873 1.00 0.00 C ATOM 1498 CD2 TRP B 81 0.987 7.097 5.916 1.00 0.00 C ATOM 1499 NE1 TRP B 81 3.151 6.850 6.424 1.00 0.00 N ATOM 1500 CE2 TRP B 81 2.112 7.741 6.458 1.00 0.00 C ATOM 1501 CE3 TRP B 81 -0.219 7.800 5.839 1.00 0.00 C ATOM 1502 CZ2 TRP B 81 2.072 9.051 6.919 1.00 0.00 C ATOM 1503 CZ3 TRP B 81 -0.260 9.103 6.297 1.00 0.00 C ATOM 1504 CH2 TRP B 81 0.880 9.716 6.831 1.00 0.00 C ATOM 0 H TRP B 81 1.217 3.201 6.832 1.00 0.00 H new ATOM 0 HA TRP B 81 -1.060 4.925 6.363 1.00 0.00 H new ATOM 0 HB2 TRP B 81 1.158 3.918 4.547 1.00 0.00 H new ATOM 0 HB3 TRP B 81 -0.028 5.130 4.108 1.00 0.00 H new ATOM 0 HD1 TRP B 81 3.317 4.793 5.720 1.00 0.00 H new ATOM 0 HE1 TRP B 81 4.099 7.031 6.754 1.00 0.00 H new ATOM 0 HE3 TRP B 81 -1.102 7.333 5.429 1.00 0.00 H new ATOM 0 HZ2 TRP B 81 2.950 9.527 7.332 1.00 0.00 H new ATOM 0 HZ3 TRP B 81 -1.185 9.657 6.242 1.00 0.00 H new ATOM 0 HH2 TRP B 81 0.817 10.736 7.181 1.00 0.00 H new ATOM 1515 N GLY B 82 -1.040 1.848 5.343 1.00 0.00 N ATOM 1516 CA GLY B 82 -1.881 0.816 4.774 1.00 0.00 C ATOM 1517 C GLY B 82 -3.255 0.788 5.406 1.00 0.00 C ATOM 1518 O GLY B 82 -4.267 0.796 4.706 1.00 0.00 O ATOM 0 H GLY B 82 -0.185 1.507 5.782 1.00 0.00 H new ATOM 0 HA2 GLY B 82 -1.979 0.980 3.701 1.00 0.00 H new ATOM 0 HA3 GLY B 82 -1.402 -0.154 4.905 1.00 0.00 H new ATOM 1522 N ARG B 83 -3.295 0.781 6.735 1.00 0.00 N ATOM 1523 CA ARG B 83 -4.567 0.784 7.445 1.00 0.00 C ATOM 1524 C ARG B 83 -5.285 2.117 7.243 1.00 0.00 C ATOM 1525 O ARG B 83 -6.515 2.170 7.213 1.00 0.00 O ATOM 1526 CB ARG B 83 -4.377 0.505 8.943 1.00 0.00 C ATOM 1527 CG ARG B 83 -3.664 1.612 9.702 1.00 0.00 C ATOM 1528 CD ARG B 83 -3.785 1.420 11.204 1.00 0.00 C ATOM 1529 NE ARG B 83 -5.179 1.452 11.651 1.00 0.00 N ATOM 1530 CZ ARG B 83 -5.625 2.174 12.681 1.00 0.00 C ATOM 1531 NH1 ARG B 83 -4.795 2.957 13.361 1.00 0.00 N1+ ATOM 1532 NH2 ARG B 83 -6.908 2.125 13.020 1.00 0.00 N ATOM 0 H ARG B 83 -2.470 0.773 7.335 1.00 0.00 H new ATOM 0 HA ARG B 83 -5.180 -0.017 7.031 1.00 0.00 H new ATOM 0 HB2 ARG B 83 -5.355 0.341 9.397 1.00 0.00 H new ATOM 0 HB3 ARG B 83 -3.813 -0.420 9.059 1.00 0.00 H new ATOM 0 HG2 ARG B 83 -2.611 1.630 9.419 1.00 0.00 H new ATOM 0 HG3 ARG B 83 -4.085 2.577 9.422 1.00 0.00 H new ATOM 0 HD2 ARG B 83 -3.336 0.467 11.485 1.00 0.00 H new ATOM 0 HD3 ARG B 83 -3.222 2.201 11.716 1.00 0.00 H new ATOM 0 HE ARG B 83 -5.855 0.884 11.141 1.00 0.00 H new ATOM 0 HH11 ARG B 83 -3.811 3.009 13.097 1.00 0.00 H new ATOM 0 HH12 ARG B 83 -5.141 3.507 14.147 1.00 0.00 H new ATOM 0 HH21 ARG B 83 -7.553 1.536 12.493 1.00 0.00 H new ATOM 0 HH22 ARG B 83 -7.249 2.677 13.807 1.00 0.00 H new ATOM 1546 N SER B 84 -4.508 3.188 7.090 1.00 0.00 N ATOM 1547 CA SER B 84 -5.070 4.512 6.855 1.00 0.00 C ATOM 1548 C SER B 84 -5.783 4.552 5.505 1.00 0.00 C ATOM 1549 O SER B 84 -6.896 5.066 5.395 1.00 0.00 O ATOM 1550 CB SER B 84 -3.970 5.576 6.912 1.00 0.00 C ATOM 1551 OG SER B 84 -3.312 5.565 8.170 1.00 0.00 O ATOM 0 H SER B 84 -3.489 3.162 7.125 1.00 0.00 H new ATOM 0 HA SER B 84 -5.798 4.726 7.638 1.00 0.00 H new ATOM 0 HB2 SER B 84 -3.245 5.397 6.118 1.00 0.00 H new ATOM 0 HB3 SER B 84 -4.402 6.560 6.733 1.00 0.00 H new ATOM 0 HG SER B 84 -2.867 4.701 8.299 1.00 0.00 H new ATOM 1557 N LEU B 85 -5.137 3.994 4.483 1.00 0.00 N ATOM 1558 CA LEU B 85 -5.755 3.862 3.170 1.00 0.00 C ATOM 1559 C LEU B 85 -6.995 2.989 3.270 1.00 0.00 C ATOM 1560 O LEU B 85 -8.051 3.328 2.738 1.00 0.00 O ATOM 1561 CB LEU B 85 -4.777 3.239 2.166 1.00 0.00 C ATOM 1562 CG LEU B 85 -3.571 4.103 1.788 1.00 0.00 C ATOM 1563 CD1 LEU B 85 -2.579 3.295 0.970 1.00 0.00 C ATOM 1564 CD2 LEU B 85 -4.015 5.327 1.004 1.00 0.00 C ATOM 0 H LEU B 85 -4.187 3.627 4.541 1.00 0.00 H new ATOM 0 HA LEU B 85 -6.030 4.857 2.821 1.00 0.00 H new ATOM 0 HB2 LEU B 85 -4.412 2.299 2.579 1.00 0.00 H new ATOM 0 HB3 LEU B 85 -5.326 2.996 1.256 1.00 0.00 H new ATOM 0 HG LEU B 85 -3.086 4.434 2.706 1.00 0.00 H new ATOM 0 HD11 LEU B 85 -1.727 3.922 0.708 1.00 0.00 H new ATOM 0 HD12 LEU B 85 -2.236 2.441 1.554 1.00 0.00 H new ATOM 0 HD13 LEU B 85 -3.062 2.941 0.059 1.00 0.00 H new ATOM 0 HD21 LEU B 85 -3.144 5.929 0.744 1.00 0.00 H new ATOM 0 HD22 LEU B 85 -4.522 5.011 0.093 1.00 0.00 H new ATOM 0 HD23 LEU B 85 -4.698 5.921 1.612 1.00 0.00 H new ATOM 1576 N GLY B 86 -6.851 1.875 3.979 1.00 0.00 N ATOM 1577 CA GLY B 86 -7.928 0.918 4.113 1.00 0.00 C ATOM 1578 C GLY B 86 -9.198 1.517 4.686 1.00 0.00 C ATOM 1579 O GLY B 86 -10.263 1.418 4.074 1.00 0.00 O ATOM 0 H GLY B 86 -5.994 1.618 4.469 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -8.147 0.489 3.135 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -7.600 0.100 4.754 1.00 0.00 H new ATOM 1583 N GLU B 87 -9.096 2.149 5.852 1.00 0.00 N ATOM 1584 CA GLU B 87 -10.269 2.723 6.502 1.00 0.00 C ATOM 1585 C GLU B 87 -10.876 3.829 5.644 1.00 0.00 C ATOM 1586 O GLU B 87 -12.096 3.906 5.497 1.00 0.00 O ATOM 1587 CB GLU B 87 -9.929 3.261 7.896 1.00 0.00 C ATOM 1588 CG GLU B 87 -8.858 4.339 7.905 1.00 0.00 C ATOM 1589 CD GLU B 87 -8.706 4.990 9.261 1.00 0.00 C ATOM 1590 OE1 GLU B 87 -9.265 6.087 9.462 1.00 0.00 O ATOM 1591 OE2 GLU B 87 -8.044 4.397 10.138 1.00 0.00 O1- ATOM 0 H GLU B 87 -8.222 2.276 6.362 1.00 0.00 H new ATOM 0 HA GLU B 87 -11.003 1.925 6.617 1.00 0.00 H new ATOM 0 HB2 GLU B 87 -10.836 3.662 8.349 1.00 0.00 H new ATOM 0 HB3 GLU B 87 -9.599 2.432 8.522 1.00 0.00 H new ATOM 0 HG2 GLU B 87 -7.905 3.903 7.606 1.00 0.00 H new ATOM 0 HG3 GLU B 87 -9.106 5.100 7.165 1.00 0.00 H new ATOM 1598 N CYS B 88 -10.015 4.658 5.063 1.00 0.00 N ATOM 1599 CA CYS B 88 -10.450 5.748 4.201 1.00 0.00 C ATOM 1600 C CYS B 88 -11.278 5.212 3.039 1.00 0.00 C ATOM 1601 O CYS B 88 -12.364 5.717 2.746 1.00 0.00 O ATOM 1602 CB CYS B 88 -9.232 6.507 3.673 1.00 0.00 C ATOM 1603 SG CYS B 88 -9.624 7.791 2.438 1.00 0.00 S ATOM 0 H CYS B 88 -9.003 4.593 5.176 1.00 0.00 H new ATOM 0 HA CYS B 88 -11.072 6.429 4.782 1.00 0.00 H new ATOM 0 HB2 CYS B 88 -8.717 6.973 4.513 1.00 0.00 H new ATOM 0 HB3 CYS B 88 -8.538 5.793 3.230 1.00 0.00 H new ATOM 1608 N ILE B 89 -10.764 4.171 2.399 1.00 0.00 N ATOM 1609 CA ILE B 89 -11.447 3.540 1.282 1.00 0.00 C ATOM 1610 C ILE B 89 -12.741 2.881 1.736 1.00 0.00 C ATOM 1611 O ILE B 89 -13.781 3.033 1.097 1.00 0.00 O ATOM 1612 CB ILE B 89 -10.545 2.490 0.612 1.00 0.00 C ATOM 1613 CG1 ILE B 89 -9.345 3.173 -0.046 1.00 0.00 C ATOM 1614 CG2 ILE B 89 -11.336 1.677 -0.400 1.00 0.00 C ATOM 1615 CD1 ILE B 89 -8.303 2.209 -0.554 1.00 0.00 C ATOM 0 H ILE B 89 -9.869 3.744 2.638 1.00 0.00 H new ATOM 0 HA ILE B 89 -11.683 4.321 0.559 1.00 0.00 H new ATOM 0 HB ILE B 89 -10.173 1.804 1.373 1.00 0.00 H new ATOM 0 HG12 ILE B 89 -9.697 3.785 -0.877 1.00 0.00 H new ATOM 0 HG13 ILE B 89 -8.882 3.848 0.674 1.00 0.00 H new ATOM 0 HG21 ILE B 89 -10.682 0.939 -0.865 1.00 0.00 H new ATOM 0 HG22 ILE B 89 -12.157 1.168 0.104 1.00 0.00 H new ATOM 0 HG23 ILE B 89 -11.736 2.340 -1.167 1.00 0.00 H new ATOM 0 HD11 ILE B 89 -7.483 2.766 -1.007 1.00 0.00 H new ATOM 0 HD12 ILE B 89 -7.923 1.614 0.276 1.00 0.00 H new ATOM 0 HD13 ILE B 89 -8.749 1.550 -1.298 1.00 0.00 H new ATOM 1627 N GLY B 90 -12.668 2.162 2.851 1.00 0.00 N ATOM 1628 CA GLY B 90 -13.836 1.496 3.390 1.00 0.00 C ATOM 1629 C GLY B 90 -14.970 2.458 3.683 1.00 0.00 C ATOM 1630 O GLY B 90 -16.140 2.087 3.626 1.00 0.00 O ATOM 0 H GLY B 90 -11.814 2.029 3.393 1.00 0.00 H new ATOM 0 HA2 GLY B 90 -14.178 0.741 2.682 1.00 0.00 H new ATOM 0 HA3 GLY B 90 -13.562 0.973 4.306 1.00 0.00 H new ATOM 1634 N LYS B 91 -14.621 3.697 4.002 1.00 0.00 N ATOM 1635 CA LYS B 91 -15.617 4.732 4.247 1.00 0.00 C ATOM 1636 C LYS B 91 -16.161 5.270 2.932 1.00 0.00 C ATOM 1637 O LYS B 91 -17.368 5.451 2.774 1.00 0.00 O ATOM 1638 CB LYS B 91 -15.017 5.879 5.059 1.00 0.00 C ATOM 1639 CG LYS B 91 -14.583 5.478 6.457 1.00 0.00 C ATOM 1640 CD LYS B 91 -14.012 6.663 7.213 1.00 0.00 C ATOM 1641 CE LYS B 91 -13.527 6.265 8.596 1.00 0.00 C ATOM 1642 NZ LYS B 91 -12.955 7.420 9.339 1.00 0.00 N1+ ATOM 0 H LYS B 91 -13.655 4.010 4.097 1.00 0.00 H new ATOM 0 HA LYS B 91 -16.432 4.285 4.816 1.00 0.00 H new ATOM 0 HB2 LYS B 91 -14.157 6.280 4.523 1.00 0.00 H new ATOM 0 HB3 LYS B 91 -15.750 6.682 5.133 1.00 0.00 H new ATOM 0 HG2 LYS B 91 -15.434 5.071 7.003 1.00 0.00 H new ATOM 0 HG3 LYS B 91 -13.835 4.687 6.396 1.00 0.00 H new ATOM 0 HD2 LYS B 91 -13.185 7.092 6.647 1.00 0.00 H new ATOM 0 HD3 LYS B 91 -14.773 7.438 7.303 1.00 0.00 H new ATOM 0 HE2 LYS B 91 -14.356 5.843 9.164 1.00 0.00 H new ATOM 0 HE3 LYS B 91 -12.773 5.483 8.505 1.00 0.00 H new ATOM 0 HZ1 LYS B 91 -12.636 7.105 10.278 1.00 0.00 H new ATOM 0 HZ2 LYS B 91 -12.147 7.807 8.811 1.00 0.00 H new ATOM 0 HZ3 LYS B 91 -13.681 8.156 9.449 1.00 0.00 H new ATOM 1656 N ASP B 92 -15.262 5.491 1.981 1.00 0.00 N ATOM 1657 CA ASP B 92 -15.629 6.082 0.699 1.00 0.00 C ATOM 1658 C ASP B 92 -16.501 5.130 -0.096 1.00 0.00 C ATOM 1659 O ASP B 92 -17.530 5.519 -0.642 1.00 0.00 O ATOM 1660 CB ASP B 92 -14.378 6.436 -0.106 1.00 0.00 C ATOM 1661 CG ASP B 92 -14.706 7.080 -1.439 1.00 0.00 C ATOM 1662 OD1 ASP B 92 -14.431 6.463 -2.485 1.00 0.00 O ATOM 1663 OD2 ASP B 92 -15.231 8.213 -1.445 1.00 0.00 O1- ATOM 0 H ASP B 92 -14.271 5.269 2.073 1.00 0.00 H new ATOM 0 HA ASP B 92 -16.192 6.995 0.895 1.00 0.00 H new ATOM 0 HB2 ASP B 92 -13.755 7.114 0.477 1.00 0.00 H new ATOM 0 HB3 ASP B 92 -13.793 5.533 -0.277 1.00 0.00 H new ATOM 1668 N PHE B 93 -16.087 3.872 -0.139 1.00 0.00 N ATOM 1669 CA PHE B 93 -16.823 2.847 -0.857 1.00 0.00 C ATOM 1670 C PHE B 93 -18.181 2.601 -0.204 1.00 0.00 C ATOM 1671 O PHE B 93 -19.180 2.351 -0.889 1.00 0.00 O ATOM 1672 CB PHE B 93 -16.015 1.550 -0.900 1.00 0.00 C ATOM 1673 CG PHE B 93 -16.707 0.448 -1.636 1.00 0.00 C ATOM 1674 CD1 PHE B 93 -17.335 -0.575 -0.946 1.00 0.00 C ATOM 1675 CD2 PHE B 93 -16.739 0.440 -3.018 1.00 0.00 C ATOM 1676 CE1 PHE B 93 -17.980 -1.586 -1.624 1.00 0.00 C ATOM 1677 CE2 PHE B 93 -17.381 -0.568 -3.700 1.00 0.00 C ATOM 1678 CZ PHE B 93 -18.002 -1.581 -3.004 1.00 0.00 C ATOM 0 H PHE B 93 -15.239 3.537 0.319 1.00 0.00 H new ATOM 0 HA PHE B 93 -16.990 3.193 -1.877 1.00 0.00 H new ATOM 0 HB2 PHE B 93 -15.052 1.745 -1.373 1.00 0.00 H new ATOM 0 HB3 PHE B 93 -15.809 1.224 0.120 1.00 0.00 H new ATOM 0 HD1 PHE B 93 -17.319 -0.580 0.134 1.00 0.00 H new ATOM 0 HD2 PHE B 93 -16.255 1.233 -3.568 1.00 0.00 H new ATOM 0 HE1 PHE B 93 -18.467 -2.380 -1.077 1.00 0.00 H new ATOM 0 HE2 PHE B 93 -17.398 -0.565 -4.780 1.00 0.00 H new ATOM 0 HZ PHE B 93 -18.507 -2.372 -3.538 1.00 0.00 H new ATOM 1688 N ALA B 94 -18.211 2.679 1.121 1.00 0.00 N ATOM 1689 CA ALA B 94 -19.443 2.491 1.868 1.00 0.00 C ATOM 1690 C ALA B 94 -20.461 3.552 1.490 1.00 0.00 C ATOM 1691 O ALA B 94 -21.584 3.233 1.105 1.00 0.00 O ATOM 1692 CB ALA B 94 -19.180 2.523 3.366 1.00 0.00 C ATOM 0 H ALA B 94 -17.393 2.872 1.699 1.00 0.00 H new ATOM 0 HA ALA B 94 -19.847 1.511 1.612 1.00 0.00 H new ATOM 0 HB1 ALA B 94 -20.118 2.380 3.903 1.00 0.00 H new ATOM 0 HB2 ALA B 94 -18.485 1.726 3.631 1.00 0.00 H new ATOM 0 HB3 ALA B 94 -18.749 3.486 3.639 1.00 0.00 H new ATOM 1698 N GLU B 95 -20.058 4.811 1.571 1.00 0.00 N ATOM 1699 CA GLU B 95 -20.947 5.910 1.234 1.00 0.00 C ATOM 1700 C GLU B 95 -21.276 5.911 -0.255 1.00 0.00 C ATOM 1701 O GLU B 95 -22.334 6.389 -0.664 1.00 0.00 O ATOM 1702 CB GLU B 95 -20.330 7.241 1.652 1.00 0.00 C ATOM 1703 CG GLU B 95 -20.089 7.331 3.147 1.00 0.00 C ATOM 1704 CD GLU B 95 -19.674 8.716 3.593 1.00 0.00 C ATOM 1705 OE1 GLU B 95 -20.564 9.536 3.890 1.00 0.00 O ATOM 1706 OE2 GLU B 95 -18.458 8.995 3.651 1.00 0.00 O1- ATOM 0 H GLU B 95 -19.124 5.096 1.866 1.00 0.00 H new ATOM 0 HA GLU B 95 -21.879 5.774 1.782 1.00 0.00 H new ATOM 0 HB2 GLU B 95 -19.385 7.379 1.127 1.00 0.00 H new ATOM 0 HB3 GLU B 95 -20.988 8.054 1.345 1.00 0.00 H new ATOM 0 HG2 GLU B 95 -20.998 7.042 3.675 1.00 0.00 H new ATOM 0 HG3 GLU B 95 -19.316 6.617 3.429 1.00 0.00 H new ATOM 1713 N LYS B 96 -20.365 5.371 -1.058 1.00 0.00 N ATOM 1714 CA LYS B 96 -20.578 5.251 -2.496 1.00 0.00 C ATOM 1715 C LYS B 96 -21.719 4.293 -2.825 1.00 0.00 C ATOM 1716 O LYS B 96 -22.758 4.706 -3.338 1.00 0.00 O ATOM 1717 CB LYS B 96 -19.308 4.758 -3.198 1.00 0.00 C ATOM 1718 CG LYS B 96 -18.425 5.859 -3.760 1.00 0.00 C ATOM 1719 CD LYS B 96 -17.250 5.273 -4.530 1.00 0.00 C ATOM 1720 CE LYS B 96 -16.496 6.337 -5.317 1.00 0.00 C ATOM 1721 NZ LYS B 96 -15.920 7.387 -4.439 1.00 0.00 N1+ ATOM 0 H LYS B 96 -19.468 5.008 -0.735 1.00 0.00 H new ATOM 0 HA LYS B 96 -20.839 6.247 -2.854 1.00 0.00 H new ATOM 0 HB2 LYS B 96 -18.724 4.168 -2.491 1.00 0.00 H new ATOM 0 HB3 LYS B 96 -19.594 4.090 -4.011 1.00 0.00 H new ATOM 0 HG2 LYS B 96 -19.011 6.501 -4.417 1.00 0.00 H new ATOM 0 HG3 LYS B 96 -18.057 6.485 -2.948 1.00 0.00 H new ATOM 0 HD2 LYS B 96 -16.568 4.785 -3.834 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -17.611 4.505 -5.213 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -15.696 5.865 -5.887 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -17.171 6.799 -6.037 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -15.505 8.140 -5.024 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -16.669 7.788 -3.839 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -15.181 6.970 -3.838 1.00 0.00 H new ATOM 1735 N HIS B 97 -21.514 3.009 -2.550 1.00 0.00 N ATOM 1736 CA HIS B 97 -22.446 1.985 -3.014 1.00 0.00 C ATOM 1737 C HIS B 97 -23.225 1.317 -1.887 1.00 0.00 C ATOM 1738 O HIS B 97 -24.370 0.917 -2.085 1.00 0.00 O ATOM 1739 CB HIS B 97 -21.709 0.935 -3.843 1.00 0.00 C ATOM 1740 CG HIS B 97 -21.364 1.412 -5.219 1.00 0.00 C ATOM 1741 ND1 HIS B 97 -22.166 1.191 -6.314 1.00 0.00 N ATOM 1742 CD2 HIS B 97 -20.305 2.122 -5.672 1.00 0.00 C ATOM 1743 CE1 HIS B 97 -21.619 1.744 -7.379 1.00 0.00 C ATOM 1744 NE2 HIS B 97 -20.488 2.317 -7.018 1.00 0.00 N ATOM 0 H HIS B 97 -20.721 2.655 -2.015 1.00 0.00 H new ATOM 0 HA HIS B 97 -23.181 2.497 -3.635 1.00 0.00 H new ATOM 0 HB2 HIS B 97 -20.794 0.647 -3.324 1.00 0.00 H new ATOM 0 HB3 HIS B 97 -22.327 0.041 -3.919 1.00 0.00 H new ATOM 0 HD2 HIS B 97 -19.470 2.471 -5.083 1.00 0.00 H new ATOM 0 HE1 HIS B 97 -22.029 1.730 -8.378 1.00 0.00 H new ATOM 0 HE2 HIS B 97 -19.854 2.822 -7.637 1.00 0.00 H new ATOM 1753 N LEU B 98 -22.620 1.184 -0.714 1.00 0.00 N ATOM 1754 CA LEU B 98 -23.282 0.487 0.385 1.00 0.00 C ATOM 1755 C LEU B 98 -24.418 1.330 0.959 1.00 0.00 C ATOM 1756 O LEU B 98 -25.419 0.792 1.430 1.00 0.00 O ATOM 1757 CB LEU B 98 -22.283 0.114 1.486 1.00 0.00 C ATOM 1758 CG LEU B 98 -21.181 -0.870 1.071 1.00 0.00 C ATOM 1759 CD1 LEU B 98 -20.318 -1.237 2.267 1.00 0.00 C ATOM 1760 CD2 LEU B 98 -21.782 -2.125 0.454 1.00 0.00 C ATOM 0 H LEU B 98 -21.689 1.542 -0.499 1.00 0.00 H new ATOM 0 HA LEU B 98 -23.705 -0.434 -0.015 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -21.812 1.027 1.850 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -22.834 -0.316 2.322 1.00 0.00 H new ATOM 0 HG LEU B 98 -20.556 -0.383 0.323 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -19.542 -1.936 1.955 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -19.855 -0.337 2.671 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -20.938 -1.702 3.034 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -20.983 -2.808 0.167 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -22.432 -2.612 1.181 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -22.362 -1.855 -0.428 1.00 0.00 H new ATOM 1772 N ILE B 99 -24.257 2.645 0.933 1.00 0.00 N ATOM 1773 CA ILE B 99 -25.351 3.541 1.270 1.00 0.00 C ATOM 1774 C ILE B 99 -26.102 3.942 0.001 1.00 0.00 C ATOM 1775 O ILE B 99 -25.593 4.721 -0.807 1.00 0.00 O ATOM 1776 CB ILE B 99 -24.860 4.812 2.001 1.00 0.00 C ATOM 1777 CG1 ILE B 99 -24.039 4.439 3.239 1.00 0.00 C ATOM 1778 CG2 ILE B 99 -26.045 5.685 2.393 1.00 0.00 C ATOM 1779 CD1 ILE B 99 -23.569 5.634 4.042 1.00 0.00 C ATOM 0 H ILE B 99 -23.385 3.112 0.684 1.00 0.00 H new ATOM 0 HA ILE B 99 -26.015 3.004 1.947 1.00 0.00 H new ATOM 0 HB ILE B 99 -24.220 5.376 1.322 1.00 0.00 H new ATOM 0 HG12 ILE B 99 -24.639 3.795 3.881 1.00 0.00 H new ATOM 0 HG13 ILE B 99 -23.171 3.858 2.927 1.00 0.00 H new ATOM 0 HG21 ILE B 99 -25.686 6.577 2.907 1.00 0.00 H new ATOM 0 HG22 ILE B 99 -26.593 5.978 1.497 1.00 0.00 H new ATOM 0 HG23 ILE B 99 -26.706 5.126 3.056 1.00 0.00 H new ATOM 0 HD11 ILE B 99 -22.995 5.291 4.903 1.00 0.00 H new ATOM 0 HD12 ILE B 99 -22.941 6.269 3.416 1.00 0.00 H new ATOM 0 HD13 ILE B 99 -24.432 6.204 4.386 1.00 0.00 H new