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 45 MET CE :methyl -146:sc= -0.364 (180deg=-2.92!) USER MOD Set 1.2: B 97 HIS : no HD1:sc= -2.63 X(o=-3,f=-3.4!) USER MOD Single : B 9 MET CE :methyl 156:sc= -0.105 (180deg=-0.557) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0.0491 USER MOD Single : B 11 LYS NZ :NH3+ 168:sc= 2.38 (180deg=1.96) USER MOD Single : B 16 ASN : amide:sc= -0.0051 X(o=-0.0051,f=0) USER MOD Single : B 17 SER OG : rot 79:sc= 1.04 USER MOD Single : B 18 MET CE :methyl -147:sc= 0 (180deg=-0.754) USER MOD Single : B 19 THR OG1 : rot -91:sc= -0.308! USER MOD Single : B 28 LYS NZ :NH3+ -114:sc= 0.56 (180deg=-0.129) USER MOD Single : B 32 GLN : amide:sc= -1.35! K(o=-1.3!,f=-0.014) USER MOD Single : B 37 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00489) USER MOD Single : B 38 LYS NZ :NH3+ -166:sc= -0.0268 (180deg=-0.204) USER MOD Single : B 44 LYS NZ :NH3+ -155:sc= 0.999 (180deg=0.394) USER MOD Single : B 46 THR OG1 : rot 180:sc= 0.00186 USER MOD Single : B 47 TYR OH : rot -115:sc= 1.07 USER MOD Single : B 49 GLN : amide:sc= -0.048 K(o=-0.048,f=-0.73) USER MOD Single : B 52 THR OG1 : rot -32:sc= 0.145 USER MOD Single : B 57 SER OG : rot -104:sc= 1.25 USER MOD Single : B 58 THR OG1 : rot 160:sc= -0.881 USER MOD Single : B 59 LYS NZ :NH3+ -165:sc= -0.0558 (180deg=-0.355) USER MOD Single : B 60 LYS NZ :NH3+ 164:sc= 0.268 (180deg=-0.161) USER MOD Single : B 62 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.3) USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 68 SER OG : rot 180:sc= 0 USER MOD Single : B 69 MET CE :methyl -178:sc= -1.2 (180deg=-1.23) USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 74 ASN : amide:sc= 0.865 K(o=0.87,f=-2.9!) USER MOD Single : B 75 SER OG : rot 180:sc= 0 USER MOD Single : B 77 THR OG1 : rot -160:sc= 0.237 USER MOD Single : B 80 THR OG1 : rot 80:sc= 1.17 USER MOD Single : B 84 SER OG : rot 79:sc= 0.629 USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 96 LYS NZ :NH3+ -162:sc= -0.0583 (180deg=-0.374) USER MOD ----------------------------------------------------------------- ATOM 334 N GLU B 8 13.339 -1.879 1.977 1.00 0.00 N ATOM 335 CA GLU B 8 12.479 -0.740 2.225 1.00 0.00 C ATOM 336 C GLU B 8 12.151 -0.046 0.911 1.00 0.00 C ATOM 337 O GLU B 8 13.043 0.298 0.130 1.00 0.00 O ATOM 338 CB GLU B 8 13.166 0.232 3.185 1.00 0.00 C ATOM 339 CG GLU B 8 12.318 1.420 3.590 1.00 0.00 C ATOM 340 CD GLU B 8 13.028 2.307 4.589 1.00 0.00 C ATOM 341 OE1 GLU B 8 13.795 3.190 4.163 1.00 0.00 O ATOM 342 OE2 GLU B 8 12.840 2.107 5.809 1.00 0.00 O1- ATOM 0 HA GLU B 8 11.550 -1.083 2.682 1.00 0.00 H new ATOM 0 HB2 GLU B 8 13.460 -0.311 4.083 1.00 0.00 H new ATOM 0 HB3 GLU B 8 14.081 0.597 2.719 1.00 0.00 H new ATOM 0 HG2 GLU B 8 12.063 2.002 2.705 1.00 0.00 H new ATOM 0 HG3 GLU B 8 11.381 1.067 4.020 1.00 0.00 H new ATOM 349 N MET B 9 10.871 0.156 0.684 1.00 0.00 N ATOM 350 CA MET B 9 10.382 0.709 -0.567 1.00 0.00 C ATOM 351 C MET B 9 10.064 2.181 -0.391 1.00 0.00 C ATOM 352 O MET B 9 9.893 2.645 0.729 1.00 0.00 O ATOM 353 CB MET B 9 9.137 -0.061 -1.019 1.00 0.00 C ATOM 354 CG MET B 9 8.078 -0.208 0.060 1.00 0.00 C ATOM 355 SD MET B 9 6.903 -1.528 -0.304 1.00 0.00 S ATOM 356 CE MET B 9 7.944 -2.973 -0.068 1.00 0.00 C ATOM 0 H MET B 9 10.137 -0.058 1.360 1.00 0.00 H new ATOM 0 HA MET B 9 11.152 0.611 -1.333 1.00 0.00 H new ATOM 0 HB2 MET B 9 8.699 0.448 -1.877 1.00 0.00 H new ATOM 0 HB3 MET B 9 9.438 -1.053 -1.356 1.00 0.00 H new ATOM 0 HG2 MET B 9 8.562 -0.410 1.015 1.00 0.00 H new ATOM 0 HG3 MET B 9 7.540 0.734 0.168 1.00 0.00 H new ATOM 0 HE1 MET B 9 7.321 -3.836 0.167 1.00 0.00 H new ATOM 0 HE2 MET B 9 8.506 -3.169 -0.981 1.00 0.00 H new ATOM 0 HE3 MET B 9 8.637 -2.792 0.753 1.00 0.00 H new ATOM 366 N THR B 10 10.009 2.919 -1.484 1.00 0.00 N ATOM 367 CA THR B 10 9.702 4.334 -1.410 1.00 0.00 C ATOM 368 C THR B 10 8.204 4.545 -1.272 1.00 0.00 C ATOM 369 O THR B 10 7.426 3.635 -1.569 1.00 0.00 O ATOM 370 CB THR B 10 10.212 5.094 -2.647 1.00 0.00 C ATOM 371 OG1 THR B 10 9.715 4.480 -3.843 1.00 0.00 O ATOM 372 CG2 THR B 10 11.729 5.111 -2.673 1.00 0.00 C ATOM 0 H THR B 10 10.172 2.565 -2.427 1.00 0.00 H new ATOM 0 HA THR B 10 10.212 4.729 -0.531 1.00 0.00 H new ATOM 0 HB THR B 10 9.850 6.121 -2.593 1.00 0.00 H new ATOM 0 HG1 THR B 10 10.044 4.972 -4.624 1.00 0.00 H new ATOM 0 HG21 THR B 10 12.072 5.653 -3.555 1.00 0.00 H new ATOM 0 HG22 THR B 10 12.103 5.605 -1.776 1.00 0.00 H new ATOM 0 HG23 THR B 10 12.104 4.088 -2.707 1.00 0.00 H new ATOM 380 N LYS B 11 7.798 5.724 -0.823 1.00 0.00 N ATOM 381 CA LYS B 11 6.381 6.033 -0.674 1.00 0.00 C ATOM 382 C LYS B 11 5.638 5.793 -1.986 1.00 0.00 C ATOM 383 O LYS B 11 4.551 5.220 -2.002 1.00 0.00 O ATOM 384 CB LYS B 11 6.195 7.482 -0.201 1.00 0.00 C ATOM 385 CG LYS B 11 6.789 8.523 -1.140 1.00 0.00 C ATOM 386 CD LYS B 11 6.814 9.909 -0.513 1.00 0.00 C ATOM 387 CE LYS B 11 5.420 10.408 -0.170 1.00 0.00 C ATOM 388 NZ LYS B 11 5.454 11.746 0.478 1.00 0.00 N1+ ATOM 0 H LYS B 11 8.427 6.481 -0.556 1.00 0.00 H new ATOM 0 HA LYS B 11 5.960 5.369 0.081 1.00 0.00 H new ATOM 0 HB2 LYS B 11 5.130 7.680 -0.083 1.00 0.00 H new ATOM 0 HB3 LYS B 11 6.651 7.593 0.783 1.00 0.00 H new ATOM 0 HG2 LYS B 11 7.803 8.230 -1.411 1.00 0.00 H new ATOM 0 HG3 LYS B 11 6.208 8.553 -2.062 1.00 0.00 H new ATOM 0 HD2 LYS B 11 7.423 9.886 0.391 1.00 0.00 H new ATOM 0 HD3 LYS B 11 7.290 10.609 -1.200 1.00 0.00 H new ATOM 0 HE2 LYS B 11 4.819 10.460 -1.078 1.00 0.00 H new ATOM 0 HE3 LYS B 11 4.932 9.695 0.495 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 4.492 12.140 0.512 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 5.825 11.654 1.445 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 6.069 12.381 -0.069 1.00 0.00 H new ATOM 402 N ASP B 12 6.269 6.179 -3.086 1.00 0.00 N ATOM 403 CA ASP B 12 5.654 6.090 -4.399 1.00 0.00 C ATOM 404 C ASP B 12 5.540 4.644 -4.855 1.00 0.00 C ATOM 405 O ASP B 12 4.481 4.207 -5.305 1.00 0.00 O ATOM 406 CB ASP B 12 6.475 6.890 -5.407 1.00 0.00 C ATOM 407 CG ASP B 12 5.963 6.736 -6.823 1.00 0.00 C ATOM 408 OD1 ASP B 12 4.968 7.401 -7.176 1.00 0.00 O ATOM 409 OD2 ASP B 12 6.560 5.954 -7.593 1.00 0.00 O1- ATOM 0 H ASP B 12 7.215 6.560 -3.092 1.00 0.00 H new ATOM 0 HA ASP B 12 4.648 6.505 -4.335 1.00 0.00 H new ATOM 0 HB2 ASP B 12 6.457 7.944 -5.130 1.00 0.00 H new ATOM 0 HB3 ASP B 12 7.515 6.566 -5.363 1.00 0.00 H new ATOM 414 N ALA B 13 6.627 3.902 -4.716 1.00 0.00 N ATOM 415 CA ALA B 13 6.662 2.517 -5.150 1.00 0.00 C ATOM 416 C ALA B 13 5.733 1.665 -4.302 1.00 0.00 C ATOM 417 O ALA B 13 5.081 0.752 -4.809 1.00 0.00 O ATOM 418 CB ALA B 13 8.075 1.980 -5.089 1.00 0.00 C ATOM 0 H ALA B 13 7.498 4.238 -4.305 1.00 0.00 H new ATOM 0 HA ALA B 13 6.318 2.473 -6.183 1.00 0.00 H new ATOM 0 HB1 ALA B 13 8.084 0.941 -5.418 1.00 0.00 H new ATOM 0 HB2 ALA B 13 8.718 2.572 -5.741 1.00 0.00 H new ATOM 0 HB3 ALA B 13 8.443 2.040 -4.065 1.00 0.00 H new ATOM 424 N TRP B 14 5.670 1.969 -3.011 1.00 0.00 N ATOM 425 CA TRP B 14 4.759 1.275 -2.121 1.00 0.00 C ATOM 426 C TRP B 14 3.326 1.527 -2.554 1.00 0.00 C ATOM 427 O TRP B 14 2.553 0.592 -2.715 1.00 0.00 O ATOM 428 CB TRP B 14 4.961 1.719 -0.671 1.00 0.00 C ATOM 429 CG TRP B 14 3.993 1.079 0.281 1.00 0.00 C ATOM 430 CD1 TRP B 14 4.089 -0.167 0.830 1.00 0.00 C ATOM 431 CD2 TRP B 14 2.781 1.650 0.791 1.00 0.00 C ATOM 432 NE1 TRP B 14 3.011 -0.407 1.646 1.00 0.00 N ATOM 433 CE2 TRP B 14 2.196 0.694 1.641 1.00 0.00 C ATOM 434 CE3 TRP B 14 2.131 2.877 0.613 1.00 0.00 C ATOM 435 CZ2 TRP B 14 0.999 0.926 2.310 1.00 0.00 C ATOM 436 CZ3 TRP B 14 0.942 3.104 1.278 1.00 0.00 C ATOM 437 CH2 TRP B 14 0.388 2.133 2.118 1.00 0.00 C ATOM 0 H TRP B 14 6.237 2.688 -2.563 1.00 0.00 H new ATOM 0 HA TRP B 14 4.969 0.207 -2.177 1.00 0.00 H new ATOM 0 HB2 TRP B 14 5.978 1.478 -0.362 1.00 0.00 H new ATOM 0 HB3 TRP B 14 4.858 2.802 -0.611 1.00 0.00 H new ATOM 0 HD1 TRP B 14 4.895 -0.863 0.649 1.00 0.00 H new ATOM 0 HE1 TRP B 14 2.844 -1.266 2.171 1.00 0.00 H new ATOM 0 HE3 TRP B 14 2.552 3.633 -0.033 1.00 0.00 H new ATOM 0 HZ2 TRP B 14 0.567 0.178 2.959 1.00 0.00 H new ATOM 0 HZ3 TRP B 14 0.432 4.047 1.147 1.00 0.00 H new ATOM 0 HH2 TRP B 14 -0.542 2.341 2.626 1.00 0.00 H new ATOM 448 N LEU B 15 2.988 2.794 -2.768 1.00 0.00 N ATOM 449 CA LEU B 15 1.658 3.166 -3.238 1.00 0.00 C ATOM 450 C LEU B 15 1.328 2.446 -4.537 1.00 0.00 C ATOM 451 O LEU B 15 0.237 1.902 -4.695 1.00 0.00 O ATOM 452 CB LEU B 15 1.577 4.677 -3.462 1.00 0.00 C ATOM 453 CG LEU B 15 1.618 5.528 -2.193 1.00 0.00 C ATOM 454 CD1 LEU B 15 1.774 6.997 -2.543 1.00 0.00 C ATOM 455 CD2 LEU B 15 0.363 5.307 -1.362 1.00 0.00 C ATOM 0 H LEU B 15 3.618 3.583 -2.623 1.00 0.00 H new ATOM 0 HA LEU B 15 0.936 2.874 -2.475 1.00 0.00 H new ATOM 0 HB2 LEU B 15 2.402 4.977 -4.108 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.655 4.899 -3.999 1.00 0.00 H new ATOM 0 HG LEU B 15 2.480 5.222 -1.601 1.00 0.00 H new ATOM 0 HD11 LEU B 15 1.801 7.588 -1.628 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.701 7.143 -3.097 1.00 0.00 H new ATOM 0 HD13 LEU B 15 0.931 7.316 -3.156 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.409 5.921 -0.462 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.514 5.585 -1.946 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.293 4.256 -1.081 1.00 0.00 H new ATOM 467 N ASN B 16 2.289 2.431 -5.449 1.00 0.00 N ATOM 468 CA ASN B 16 2.112 1.811 -6.759 1.00 0.00 C ATOM 469 C ASN B 16 1.853 0.313 -6.626 1.00 0.00 C ATOM 470 O ASN B 16 1.070 -0.265 -7.379 1.00 0.00 O ATOM 471 CB ASN B 16 3.352 2.065 -7.622 1.00 0.00 C ATOM 472 CG ASN B 16 3.220 1.503 -9.028 1.00 0.00 C ATOM 473 OD1 ASN B 16 2.690 2.159 -9.922 1.00 0.00 O ATOM 474 ND2 ASN B 16 3.723 0.297 -9.242 1.00 0.00 N ATOM 0 H ASN B 16 3.210 2.845 -5.305 1.00 0.00 H new ATOM 0 HA ASN B 16 1.242 2.258 -7.240 1.00 0.00 H new ATOM 0 HB2 ASN B 16 3.534 3.138 -7.681 1.00 0.00 H new ATOM 0 HB3 ASN B 16 4.222 1.620 -7.139 1.00 0.00 H new ATOM 0 HD21 ASN B 16 3.678 -0.117 -10.173 1.00 0.00 H new ATOM 0 HD22 ASN B 16 4.156 -0.218 -8.476 1.00 0.00 H new ATOM 481 N SER B 17 2.502 -0.307 -5.654 1.00 0.00 N ATOM 482 CA SER B 17 2.363 -1.738 -5.431 1.00 0.00 C ATOM 483 C SER B 17 1.147 -2.055 -4.560 1.00 0.00 C ATOM 484 O SER B 17 0.589 -3.148 -4.628 1.00 0.00 O ATOM 485 CB SER B 17 3.632 -2.270 -4.765 1.00 0.00 C ATOM 486 OG SER B 17 4.779 -1.934 -5.526 1.00 0.00 O ATOM 0 H SER B 17 3.133 0.161 -5.004 1.00 0.00 H new ATOM 0 HA SER B 17 2.215 -2.223 -6.396 1.00 0.00 H new ATOM 0 HB2 SER B 17 3.722 -1.856 -3.761 1.00 0.00 H new ATOM 0 HB3 SER B 17 3.565 -3.353 -4.658 1.00 0.00 H new ATOM 0 HG SER B 17 5.019 -0.998 -5.361 1.00 0.00 H new ATOM 492 N MET B 18 0.728 -1.081 -3.768 1.00 0.00 N ATOM 493 CA MET B 18 -0.301 -1.294 -2.757 1.00 0.00 C ATOM 494 C MET B 18 -1.690 -0.996 -3.303 1.00 0.00 C ATOM 495 O MET B 18 -2.660 -1.656 -2.939 1.00 0.00 O ATOM 496 CB MET B 18 -0.024 -0.397 -1.547 1.00 0.00 C ATOM 497 CG MET B 18 -0.966 -0.618 -0.378 1.00 0.00 C ATOM 498 SD MET B 18 -0.754 -2.239 0.386 1.00 0.00 S ATOM 499 CE MET B 18 -1.971 -2.164 1.697 1.00 0.00 C ATOM 0 H MET B 18 1.087 -0.127 -3.805 1.00 0.00 H new ATOM 0 HA MET B 18 -0.271 -2.343 -2.461 1.00 0.00 H new ATOM 0 HB2 MET B 18 0.999 -0.565 -1.211 1.00 0.00 H new ATOM 0 HB3 MET B 18 -0.089 0.645 -1.859 1.00 0.00 H new ATOM 0 HG2 MET B 18 -0.799 0.157 0.370 1.00 0.00 H new ATOM 0 HG3 MET B 18 -1.995 -0.514 -0.721 1.00 0.00 H new ATOM 0 HE1 MET B 18 -1.615 -2.731 2.557 1.00 0.00 H new ATOM 0 HE2 MET B 18 -2.129 -1.125 1.988 1.00 0.00 H new ATOM 0 HE3 MET B 18 -2.911 -2.589 1.346 1.00 0.00 H new ATOM 509 N THR B 19 -1.774 -0.006 -4.184 1.00 0.00 N ATOM 510 CA THR B 19 -3.058 0.464 -4.698 1.00 0.00 C ATOM 511 C THR B 19 -3.936 -0.657 -5.275 1.00 0.00 C ATOM 512 O THR B 19 -5.098 -0.771 -4.893 1.00 0.00 O ATOM 513 CB THR B 19 -2.876 1.584 -5.744 1.00 0.00 C ATOM 514 OG1 THR B 19 -1.646 1.406 -6.458 1.00 0.00 O ATOM 515 CG2 THR B 19 -2.889 2.950 -5.077 1.00 0.00 C ATOM 0 H THR B 19 -0.965 0.489 -4.559 1.00 0.00 H new ATOM 0 HA THR B 19 -3.583 0.866 -3.832 1.00 0.00 H new ATOM 0 HB THR B 19 -3.707 1.529 -6.447 1.00 0.00 H new ATOM 0 HG1 THR B 19 -0.930 1.896 -6.003 1.00 0.00 H new ATOM 0 HG21 THR B 19 -2.759 3.725 -5.832 1.00 0.00 H new ATOM 0 HG22 THR B 19 -3.841 3.097 -4.567 1.00 0.00 H new ATOM 0 HG23 THR B 19 -2.076 3.009 -4.353 1.00 0.00 H new ATOM 523 N PRO B 20 -3.422 -1.510 -6.181 1.00 0.00 N ATOM 524 CA PRO B 20 -4.234 -2.562 -6.790 1.00 0.00 C ATOM 525 C PRO B 20 -4.406 -3.780 -5.882 1.00 0.00 C ATOM 526 O PRO B 20 -5.153 -4.710 -6.197 1.00 0.00 O ATOM 527 CB PRO B 20 -3.441 -2.907 -8.040 1.00 0.00 C ATOM 528 CG PRO B 20 -2.023 -2.687 -7.648 1.00 0.00 C ATOM 529 CD PRO B 20 -2.035 -1.523 -6.699 1.00 0.00 C ATOM 0 HA PRO B 20 -5.256 -2.240 -6.989 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -3.613 -3.938 -8.348 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -3.725 -2.272 -8.879 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -1.607 -3.575 -7.172 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -1.405 -2.474 -8.520 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -1.309 -1.652 -5.897 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -1.788 -0.590 -7.206 1.00 0.00 H new ATOM 537 N LEU B 21 -3.721 -3.762 -4.746 1.00 0.00 N ATOM 538 CA LEU B 21 -3.863 -4.815 -3.749 1.00 0.00 C ATOM 539 C LEU B 21 -4.932 -4.430 -2.739 1.00 0.00 C ATOM 540 O LEU B 21 -5.491 -5.282 -2.051 1.00 0.00 O ATOM 541 CB LEU B 21 -2.538 -5.065 -3.024 1.00 0.00 C ATOM 542 CG LEU B 21 -1.408 -5.635 -3.886 1.00 0.00 C ATOM 543 CD1 LEU B 21 -0.163 -5.861 -3.042 1.00 0.00 C ATOM 544 CD2 LEU B 21 -1.840 -6.933 -4.556 1.00 0.00 C ATOM 0 H LEU B 21 -3.060 -3.028 -4.492 1.00 0.00 H new ATOM 0 HA LEU B 21 -4.156 -5.732 -4.261 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -2.200 -4.125 -2.589 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -2.721 -5.751 -2.197 1.00 0.00 H new ATOM 0 HG LEU B 21 -1.174 -4.911 -4.667 1.00 0.00 H new ATOM 0 HD11 LEU B 21 0.632 -6.266 -3.668 1.00 0.00 H new ATOM 0 HD12 LEU B 21 0.161 -4.914 -2.611 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -0.389 -6.565 -2.241 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -1.021 -7.319 -5.163 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -2.103 -7.666 -3.793 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -2.705 -6.744 -5.192 1.00 0.00 H new ATOM 556 N LEU B 22 -5.225 -3.135 -2.679 1.00 0.00 N ATOM 557 CA LEU B 22 -6.207 -2.609 -1.742 1.00 0.00 C ATOM 558 C LEU B 22 -7.590 -3.223 -1.963 1.00 0.00 C ATOM 559 O LEU B 22 -8.213 -3.662 -1.001 1.00 0.00 O ATOM 560 CB LEU B 22 -6.274 -1.079 -1.825 1.00 0.00 C ATOM 561 CG LEU B 22 -5.021 -0.349 -1.337 1.00 0.00 C ATOM 562 CD1 LEU B 22 -5.073 1.118 -1.726 1.00 0.00 C ATOM 563 CD2 LEU B 22 -4.881 -0.490 0.173 1.00 0.00 C ATOM 0 H LEU B 22 -4.792 -2.428 -3.273 1.00 0.00 H new ATOM 0 HA LEU B 22 -5.882 -2.888 -0.740 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -6.462 -0.794 -2.860 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -7.127 -0.736 -1.240 1.00 0.00 H new ATOM 0 HG LEU B 22 -4.151 -0.802 -1.813 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.174 1.621 -1.370 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -5.132 1.205 -2.811 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -5.950 1.583 -1.276 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -3.985 0.034 0.506 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -5.756 -0.060 0.661 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -4.802 -1.545 0.434 1.00 0.00 H new ATOM 575 N PRO B 23 -8.093 -3.288 -3.223 1.00 0.00 N ATOM 576 CA PRO B 23 -9.403 -3.882 -3.520 1.00 0.00 C ATOM 577 C PRO B 23 -9.601 -5.242 -2.862 1.00 0.00 C ATOM 578 O PRO B 23 -10.685 -5.546 -2.369 1.00 0.00 O ATOM 579 CB PRO B 23 -9.380 -4.011 -5.042 1.00 0.00 C ATOM 580 CG PRO B 23 -8.532 -2.877 -5.480 1.00 0.00 C ATOM 581 CD PRO B 23 -7.448 -2.786 -4.456 1.00 0.00 C ATOM 0 HA PRO B 23 -10.225 -3.277 -3.137 1.00 0.00 H new ATOM 0 HB2 PRO B 23 -8.962 -4.968 -5.356 1.00 0.00 H new ATOM 0 HB3 PRO B 23 -10.383 -3.947 -5.464 1.00 0.00 H new ATOM 0 HG2 PRO B 23 -8.122 -3.052 -6.474 1.00 0.00 H new ATOM 0 HG3 PRO B 23 -9.106 -1.952 -5.530 1.00 0.00 H new ATOM 0 HD2 PRO B 23 -6.584 -3.391 -4.732 1.00 0.00 H new ATOM 0 HD3 PRO B 23 -7.095 -1.762 -4.336 1.00 0.00 H new ATOM 589 N ASP B 24 -8.546 -6.040 -2.824 1.00 0.00 N ATOM 590 CA ASP B 24 -8.628 -7.367 -2.234 1.00 0.00 C ATOM 591 C ASP B 24 -8.898 -7.273 -0.735 1.00 0.00 C ATOM 592 O ASP B 24 -9.791 -7.937 -0.217 1.00 0.00 O ATOM 593 CB ASP B 24 -7.340 -8.151 -2.492 1.00 0.00 C ATOM 594 CG ASP B 24 -7.401 -9.563 -1.938 1.00 0.00 C ATOM 595 OD1 ASP B 24 -6.925 -9.794 -0.809 1.00 0.00 O ATOM 596 OD2 ASP B 24 -7.937 -10.454 -2.628 1.00 0.00 O1- ATOM 0 H ASP B 24 -7.627 -5.794 -3.193 1.00 0.00 H new ATOM 0 HA ASP B 24 -9.457 -7.897 -2.703 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -7.152 -8.192 -3.565 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -6.500 -7.623 -2.041 1.00 0.00 H new ATOM 601 N LEU B 25 -8.149 -6.416 -0.051 1.00 0.00 N ATOM 602 CA LEU B 25 -8.283 -6.268 1.395 1.00 0.00 C ATOM 603 C LEU B 25 -9.572 -5.535 1.760 1.00 0.00 C ATOM 604 O LEU B 25 -10.234 -5.877 2.744 1.00 0.00 O ATOM 605 CB LEU B 25 -7.081 -5.515 1.988 1.00 0.00 C ATOM 606 CG LEU B 25 -5.782 -6.320 2.141 1.00 0.00 C ATOM 607 CD1 LEU B 25 -5.174 -6.654 0.788 1.00 0.00 C ATOM 608 CD2 LEU B 25 -4.786 -5.552 2.994 1.00 0.00 C ATOM 0 H LEU B 25 -7.443 -5.813 -0.473 1.00 0.00 H new ATOM 0 HA LEU B 25 -8.317 -7.272 1.818 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -6.875 -4.649 1.358 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -7.366 -5.135 2.969 1.00 0.00 H new ATOM 0 HG LEU B 25 -6.025 -7.259 2.638 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -4.256 -7.224 0.932 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -5.881 -7.246 0.207 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -4.948 -5.732 0.253 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -3.869 -6.133 3.095 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -4.560 -4.597 2.519 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -5.213 -5.374 3.981 1.00 0.00 H new ATOM 620 N ILE B 26 -9.925 -4.533 0.964 1.00 0.00 N ATOM 621 CA ILE B 26 -11.105 -3.721 1.236 1.00 0.00 C ATOM 622 C ILE B 26 -12.377 -4.551 1.117 1.00 0.00 C ATOM 623 O ILE B 26 -13.161 -4.641 2.061 1.00 0.00 O ATOM 624 CB ILE B 26 -11.205 -2.513 0.279 1.00 0.00 C ATOM 625 CG1 ILE B 26 -9.930 -1.667 0.332 1.00 0.00 C ATOM 626 CG2 ILE B 26 -12.420 -1.663 0.622 1.00 0.00 C ATOM 627 CD1 ILE B 26 -9.618 -1.100 1.699 1.00 0.00 C ATOM 0 H ILE B 26 -9.411 -4.263 0.125 1.00 0.00 H new ATOM 0 HA ILE B 26 -11.001 -3.352 2.256 1.00 0.00 H new ATOM 0 HB ILE B 26 -11.319 -2.893 -0.736 1.00 0.00 H new ATOM 0 HG12 ILE B 26 -9.089 -2.277 0.004 1.00 0.00 H new ATOM 0 HG13 ILE B 26 -10.023 -0.845 -0.377 1.00 0.00 H new ATOM 0 HG21 ILE B 26 -12.476 -0.816 -0.062 1.00 0.00 H new ATOM 0 HG22 ILE B 26 -13.324 -2.265 0.528 1.00 0.00 H new ATOM 0 HG23 ILE B 26 -12.332 -1.298 1.645 1.00 0.00 H new ATOM 0 HD11 ILE B 26 -8.700 -0.514 1.649 1.00 0.00 H new ATOM 0 HD12 ILE B 26 -10.439 -0.461 2.024 1.00 0.00 H new ATOM 0 HD13 ILE B 26 -9.490 -1.916 2.411 1.00 0.00 H new ATOM 639 N CYS B 27 -12.562 -5.173 -0.041 1.00 0.00 N ATOM 640 CA CYS B 27 -13.767 -5.939 -0.312 1.00 0.00 C ATOM 641 C CYS B 27 -13.909 -7.103 0.658 1.00 0.00 C ATOM 642 O CYS B 27 -15.008 -7.400 1.123 1.00 0.00 O ATOM 643 CB CYS B 27 -13.753 -6.440 -1.752 1.00 0.00 C ATOM 644 SG CYS B 27 -13.564 -5.105 -2.975 1.00 0.00 S ATOM 0 H CYS B 27 -11.890 -5.160 -0.808 1.00 0.00 H new ATOM 0 HA CYS B 27 -14.628 -5.285 -0.173 1.00 0.00 H new ATOM 0 HB2 CYS B 27 -12.938 -7.153 -1.874 1.00 0.00 H new ATOM 0 HB3 CYS B 27 -14.680 -6.978 -1.952 1.00 0.00 H new ATOM 649 N LYS B 28 -12.794 -7.746 0.986 1.00 0.00 N ATOM 650 CA LYS B 28 -12.814 -8.857 1.928 1.00 0.00 C ATOM 651 C LYS B 28 -13.193 -8.388 3.324 1.00 0.00 C ATOM 652 O LYS B 28 -13.780 -9.141 4.089 1.00 0.00 O ATOM 653 CB LYS B 28 -11.467 -9.568 1.961 1.00 0.00 C ATOM 654 CG LYS B 28 -11.233 -10.462 0.758 1.00 0.00 C ATOM 655 CD LYS B 28 -9.834 -11.045 0.766 1.00 0.00 C ATOM 656 CE LYS B 28 -9.630 -12.014 -0.385 1.00 0.00 C ATOM 657 NZ LYS B 28 -8.200 -12.373 -0.558 1.00 0.00 N1+ ATOM 0 H LYS B 28 -11.871 -7.519 0.616 1.00 0.00 H new ATOM 0 HA LYS B 28 -13.571 -9.563 1.586 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -10.672 -8.824 2.013 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -11.402 -10.167 2.869 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -11.965 -11.269 0.755 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -11.385 -9.890 -0.157 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -9.102 -10.240 0.699 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -9.658 -11.558 1.711 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -10.212 -12.918 -0.206 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -10.007 -11.569 -1.306 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -7.857 -12.003 -1.467 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -7.642 -11.960 0.217 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -8.098 -13.408 -0.545 1.00 0.00 H new ATOM 671 N GLY B 29 -12.867 -7.141 3.646 1.00 0.00 N ATOM 672 CA GLY B 29 -13.229 -6.589 4.938 1.00 0.00 C ATOM 673 C GLY B 29 -14.729 -6.583 5.149 1.00 0.00 C ATOM 674 O GLY B 29 -15.220 -6.977 6.209 1.00 0.00 O ATOM 0 H GLY B 29 -12.358 -6.502 3.035 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -12.754 -7.171 5.728 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -12.847 -5.571 5.018 1.00 0.00 H new ATOM 678 N PHE B 30 -15.459 -6.167 4.119 1.00 0.00 N ATOM 679 CA PHE B 30 -16.917 -6.131 4.174 1.00 0.00 C ATOM 680 C PHE B 30 -17.493 -7.538 4.227 1.00 0.00 C ATOM 681 O PHE B 30 -18.604 -7.747 4.707 1.00 0.00 O ATOM 682 CB PHE B 30 -17.484 -5.394 2.959 1.00 0.00 C ATOM 683 CG PHE B 30 -17.115 -3.941 2.911 1.00 0.00 C ATOM 684 CD1 PHE B 30 -17.741 -3.032 3.745 1.00 0.00 C ATOM 685 CD2 PHE B 30 -16.147 -3.485 2.035 1.00 0.00 C ATOM 686 CE1 PHE B 30 -17.408 -1.693 3.707 1.00 0.00 C ATOM 687 CE2 PHE B 30 -15.810 -2.147 1.991 1.00 0.00 C ATOM 688 CZ PHE B 30 -16.441 -1.252 2.829 1.00 0.00 C ATOM 0 H PHE B 30 -15.064 -5.849 3.234 1.00 0.00 H new ATOM 0 HA PHE B 30 -17.201 -5.598 5.081 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -17.128 -5.881 2.051 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -18.570 -5.484 2.964 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -18.499 -3.374 4.434 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -15.649 -4.183 1.378 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -17.904 -0.993 4.363 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -15.054 -1.802 1.302 1.00 0.00 H new ATOM 0 HZ PHE B 30 -16.178 -0.205 2.797 1.00 0.00 H new ATOM 698 N ILE B 31 -16.734 -8.498 3.725 1.00 0.00 N ATOM 699 CA ILE B 31 -17.181 -9.879 3.693 1.00 0.00 C ATOM 700 C ILE B 31 -16.886 -10.573 5.023 1.00 0.00 C ATOM 701 O ILE B 31 -17.711 -11.335 5.534 1.00 0.00 O ATOM 702 CB ILE B 31 -16.514 -10.656 2.537 1.00 0.00 C ATOM 703 CG1 ILE B 31 -16.771 -9.945 1.206 1.00 0.00 C ATOM 704 CG2 ILE B 31 -17.041 -12.081 2.480 1.00 0.00 C ATOM 705 CD1 ILE B 31 -16.085 -10.597 0.022 1.00 0.00 C ATOM 0 H ILE B 31 -15.804 -8.345 3.334 1.00 0.00 H new ATOM 0 HA ILE B 31 -18.258 -9.872 3.527 1.00 0.00 H new ATOM 0 HB ILE B 31 -15.440 -10.690 2.717 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -17.845 -9.916 1.021 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -16.434 -8.912 1.286 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -16.560 -12.614 1.660 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -16.822 -12.588 3.420 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -18.119 -12.064 2.319 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -16.314 -10.037 -0.885 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -15.007 -10.602 0.183 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -16.440 -11.622 -0.085 1.00 0.00 H new ATOM 717 N GLN B 32 -15.710 -10.294 5.578 1.00 0.00 N ATOM 718 CA GLN B 32 -15.295 -10.871 6.850 1.00 0.00 C ATOM 719 C GLN B 32 -16.224 -10.449 7.980 1.00 0.00 C ATOM 720 O GLN B 32 -16.569 -11.258 8.845 1.00 0.00 O ATOM 721 CB GLN B 32 -13.867 -10.449 7.191 1.00 0.00 C ATOM 722 CG GLN B 32 -12.809 -11.024 6.265 1.00 0.00 C ATOM 723 CD GLN B 32 -11.402 -10.644 6.684 1.00 0.00 C ATOM 724 OE1 GLN B 32 -10.502 -10.524 5.850 1.00 0.00 O ATOM 725 NE2 GLN B 32 -11.196 -10.458 7.979 1.00 0.00 N ATOM 0 H GLN B 32 -15.023 -9.666 5.161 1.00 0.00 H new ATOM 0 HA GLN B 32 -15.340 -11.955 6.744 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -13.805 -9.361 7.163 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -13.644 -10.755 8.213 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -12.898 -12.110 6.247 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -12.990 -10.672 5.249 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -11.966 -10.566 8.639 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -10.267 -10.206 8.317 1.00 0.00 H new ATOM 734 N ASP B 33 -16.626 -9.184 7.976 1.00 0.00 N ATOM 735 CA ASP B 33 -17.528 -8.669 8.978 1.00 0.00 C ATOM 736 C ASP B 33 -18.964 -9.037 8.640 1.00 0.00 C ATOM 737 O ASP B 33 -19.511 -8.571 7.643 1.00 0.00 O ATOM 738 CB ASP B 33 -17.394 -7.152 9.070 1.00 0.00 C ATOM 739 CG ASP B 33 -16.253 -6.712 9.963 1.00 0.00 C ATOM 740 OD1 ASP B 33 -16.371 -6.855 11.200 1.00 0.00 O ATOM 741 OD2 ASP B 33 -15.240 -6.213 9.439 1.00 0.00 O1- ATOM 0 H ASP B 33 -16.334 -8.497 7.281 1.00 0.00 H new ATOM 0 HA ASP B 33 -17.268 -9.113 9.939 1.00 0.00 H new ATOM 0 HB2 ASP B 33 -17.243 -6.745 8.070 1.00 0.00 H new ATOM 0 HB3 ASP B 33 -18.326 -6.733 9.448 1.00 0.00 H new ATOM 746 N PRO B 34 -19.597 -9.878 9.475 1.00 0.00 N ATOM 747 CA PRO B 34 -20.978 -10.316 9.256 1.00 0.00 C ATOM 748 C PRO B 34 -21.936 -9.136 9.228 1.00 0.00 C ATOM 749 O PRO B 34 -22.940 -9.147 8.519 1.00 0.00 O ATOM 750 CB PRO B 34 -21.276 -11.217 10.460 1.00 0.00 C ATOM 751 CG PRO B 34 -19.943 -11.610 10.993 1.00 0.00 C ATOM 752 CD PRO B 34 -19.023 -10.461 10.700 1.00 0.00 C ATOM 0 HA PRO B 34 -21.101 -10.825 8.300 1.00 0.00 H new ATOM 0 HB2 PRO B 34 -21.861 -10.688 11.213 1.00 0.00 H new ATOM 0 HB3 PRO B 34 -21.855 -12.092 10.164 1.00 0.00 H new ATOM 0 HG2 PRO B 34 -19.994 -11.805 12.064 1.00 0.00 H new ATOM 0 HG3 PRO B 34 -19.588 -12.525 10.519 1.00 0.00 H new ATOM 0 HD2 PRO B 34 -19.004 -9.741 11.518 1.00 0.00 H new ATOM 0 HD3 PRO B 34 -17.997 -10.795 10.545 1.00 0.00 H new ATOM 760 N ASP B 35 -21.598 -8.116 10.006 1.00 0.00 N ATOM 761 CA ASP B 35 -22.370 -6.883 10.061 1.00 0.00 C ATOM 762 C ASP B 35 -22.370 -6.199 8.707 1.00 0.00 C ATOM 763 O ASP B 35 -23.406 -5.796 8.189 1.00 0.00 O ATOM 764 CB ASP B 35 -21.750 -5.930 11.078 1.00 0.00 C ATOM 765 CG ASP B 35 -21.531 -6.570 12.433 1.00 0.00 C ATOM 766 OD1 ASP B 35 -22.395 -6.411 13.319 1.00 0.00 O ATOM 767 OD2 ASP B 35 -20.488 -7.234 12.616 1.00 0.00 O1- ATOM 0 H ASP B 35 -20.781 -8.121 10.616 1.00 0.00 H new ATOM 0 HA ASP B 35 -23.391 -7.132 10.348 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -20.796 -5.569 10.694 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -22.397 -5.060 11.194 1.00 0.00 H new ATOM 772 N LEU B 36 -21.182 -6.054 8.158 1.00 0.00 N ATOM 773 CA LEU B 36 -20.973 -5.350 6.916 1.00 0.00 C ATOM 774 C LEU B 36 -21.468 -6.166 5.729 1.00 0.00 C ATOM 775 O LEU B 36 -21.964 -5.611 4.746 1.00 0.00 O ATOM 776 CB LEU B 36 -19.486 -5.066 6.787 1.00 0.00 C ATOM 777 CG LEU B 36 -18.900 -4.015 7.747 1.00 0.00 C ATOM 778 CD1 LEU B 36 -18.928 -2.648 7.100 1.00 0.00 C ATOM 779 CD2 LEU B 36 -19.615 -3.946 9.082 1.00 0.00 C ATOM 0 H LEU B 36 -20.326 -6.427 8.569 1.00 0.00 H new ATOM 0 HA LEU B 36 -21.539 -4.419 6.920 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -18.946 -6.001 6.935 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -19.288 -4.742 5.765 1.00 0.00 H new ATOM 0 HG LEU B 36 -17.876 -4.328 7.948 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -18.511 -1.912 7.787 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -18.336 -2.666 6.185 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -19.957 -2.380 6.861 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -19.148 -3.184 9.706 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -20.662 -3.691 8.921 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -19.550 -4.913 9.580 1.00 0.00 H new ATOM 791 N LYS B 37 -21.340 -7.486 5.835 1.00 0.00 N ATOM 792 CA LYS B 37 -21.786 -8.391 4.783 1.00 0.00 C ATOM 793 C LYS B 37 -23.283 -8.231 4.548 1.00 0.00 C ATOM 794 O LYS B 37 -23.783 -8.503 3.456 1.00 0.00 O ATOM 795 CB LYS B 37 -21.457 -9.845 5.147 1.00 0.00 C ATOM 796 CG LYS B 37 -21.713 -10.837 4.019 1.00 0.00 C ATOM 797 CD LYS B 37 -20.731 -10.642 2.872 1.00 0.00 C ATOM 798 CE LYS B 37 -21.101 -11.475 1.655 1.00 0.00 C ATOM 799 NZ LYS B 37 -21.028 -12.932 1.929 1.00 0.00 N1+ ATOM 0 H LYS B 37 -20.929 -7.953 6.643 1.00 0.00 H new ATOM 0 HA LYS B 37 -21.258 -8.138 3.864 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -20.409 -9.907 5.442 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -22.050 -10.135 6.014 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -21.630 -11.854 4.402 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -22.732 -10.717 3.651 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -20.703 -9.588 2.595 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -19.728 -10.911 3.204 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -22.110 -11.218 1.334 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -20.432 -11.228 0.831 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -21.255 -13.460 1.062 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -20.068 -13.179 2.243 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -21.710 -13.180 2.674 1.00 0.00 H new ATOM 813 N LYS B 38 -23.988 -7.770 5.577 1.00 0.00 N ATOM 814 CA LYS B 38 -25.412 -7.492 5.472 1.00 0.00 C ATOM 815 C LYS B 38 -25.676 -6.497 4.353 1.00 0.00 C ATOM 816 O LYS B 38 -26.473 -6.754 3.454 1.00 0.00 O ATOM 817 CB LYS B 38 -25.940 -6.922 6.784 1.00 0.00 C ATOM 818 CG LYS B 38 -25.692 -7.822 7.972 1.00 0.00 C ATOM 819 CD LYS B 38 -26.364 -7.292 9.221 1.00 0.00 C ATOM 820 CE LYS B 38 -26.224 -8.265 10.375 1.00 0.00 C ATOM 821 NZ LYS B 38 -26.996 -9.516 10.144 1.00 0.00 N1+ ATOM 0 H LYS B 38 -23.591 -7.581 6.497 1.00 0.00 H new ATOM 0 HA LYS B 38 -25.925 -8.428 5.252 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -25.471 -5.955 6.966 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -27.011 -6.744 6.689 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -26.064 -8.823 7.755 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -24.619 -7.911 8.145 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -25.924 -6.333 9.495 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -27.420 -7.112 9.020 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -25.171 -8.509 10.518 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -26.569 -7.790 11.294 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -27.072 -10.047 11.035 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -27.948 -9.278 9.801 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -26.508 -10.099 9.434 1.00 0.00 H new ATOM 835 N ARG B 39 -24.960 -5.379 4.394 1.00 0.00 N ATOM 836 CA ARG B 39 -25.171 -4.298 3.444 1.00 0.00 C ATOM 837 C ARG B 39 -24.555 -4.661 2.099 1.00 0.00 C ATOM 838 O ARG B 39 -25.020 -4.228 1.044 1.00 0.00 O ATOM 839 CB ARG B 39 -24.567 -2.999 3.982 1.00 0.00 C ATOM 840 CG ARG B 39 -24.970 -1.759 3.200 1.00 0.00 C ATOM 841 CD ARG B 39 -26.481 -1.559 3.200 1.00 0.00 C ATOM 842 NE ARG B 39 -27.032 -1.525 4.556 1.00 0.00 N ATOM 843 CZ ARG B 39 -28.333 -1.558 4.838 1.00 0.00 C ATOM 844 NH1 ARG B 39 -29.230 -1.623 3.860 1.00 0.00 N1+ ATOM 845 NH2 ARG B 39 -28.737 -1.522 6.103 1.00 0.00 N ATOM 0 H ARG B 39 -24.226 -5.199 5.079 1.00 0.00 H new ATOM 0 HA ARG B 39 -26.242 -4.148 3.306 1.00 0.00 H new ATOM 0 HB2 ARG B 39 -24.868 -2.874 5.022 1.00 0.00 H new ATOM 0 HB3 ARG B 39 -23.480 -3.085 3.973 1.00 0.00 H new ATOM 0 HG2 ARG B 39 -24.487 -0.883 3.633 1.00 0.00 H new ATOM 0 HG3 ARG B 39 -24.614 -1.845 2.173 1.00 0.00 H new ATOM 0 HD2 ARG B 39 -26.723 -0.628 2.687 1.00 0.00 H new ATOM 0 HD3 ARG B 39 -26.953 -2.365 2.637 1.00 0.00 H new ATOM 0 HE ARG B 39 -26.376 -1.473 5.336 1.00 0.00 H new ATOM 0 HH11 ARG B 39 -28.923 -1.648 2.888 1.00 0.00 H new ATOM 0 HH12 ARG B 39 -30.225 -1.648 4.082 1.00 0.00 H new ATOM 0 HH21 ARG B 39 -28.051 -1.469 6.856 1.00 0.00 H new ATOM 0 HH22 ARG B 39 -29.733 -1.547 6.321 1.00 0.00 H new ATOM 859 N PHE B 40 -23.514 -5.477 2.158 1.00 0.00 N ATOM 860 CA PHE B 40 -22.858 -5.991 0.965 1.00 0.00 C ATOM 861 C PHE B 40 -23.843 -6.842 0.160 1.00 0.00 C ATOM 862 O PHE B 40 -23.858 -6.800 -1.072 1.00 0.00 O ATOM 863 CB PHE B 40 -21.636 -6.811 1.387 1.00 0.00 C ATOM 864 CG PHE B 40 -20.649 -7.098 0.289 1.00 0.00 C ATOM 865 CD1 PHE B 40 -20.341 -8.403 -0.056 1.00 0.00 C ATOM 866 CD2 PHE B 40 -20.018 -6.063 -0.381 1.00 0.00 C ATOM 867 CE1 PHE B 40 -19.420 -8.673 -1.050 1.00 0.00 C ATOM 868 CE2 PHE B 40 -19.098 -6.326 -1.379 1.00 0.00 C ATOM 869 CZ PHE B 40 -18.799 -7.633 -1.714 1.00 0.00 C ATOM 0 H PHE B 40 -23.101 -5.801 3.032 1.00 0.00 H new ATOM 0 HA PHE B 40 -22.528 -5.168 0.331 1.00 0.00 H new ATOM 0 HB2 PHE B 40 -21.121 -6.280 2.188 1.00 0.00 H new ATOM 0 HB3 PHE B 40 -21.980 -7.758 1.802 1.00 0.00 H new ATOM 0 HD1 PHE B 40 -20.826 -9.220 0.458 1.00 0.00 H new ATOM 0 HD2 PHE B 40 -20.247 -5.040 -0.121 1.00 0.00 H new ATOM 0 HE1 PHE B 40 -19.186 -9.695 -1.307 1.00 0.00 H new ATOM 0 HE2 PHE B 40 -18.614 -5.511 -1.896 1.00 0.00 H new ATOM 0 HZ PHE B 40 -18.081 -7.841 -2.494 1.00 0.00 H new ATOM 879 N ASP B 41 -24.685 -7.590 0.870 1.00 0.00 N ATOM 880 CA ASP B 41 -25.716 -8.401 0.229 1.00 0.00 C ATOM 881 C ASP B 41 -26.934 -7.556 -0.132 1.00 0.00 C ATOM 882 O ASP B 41 -27.618 -7.840 -1.107 1.00 0.00 O ATOM 883 CB ASP B 41 -26.146 -9.563 1.128 1.00 0.00 C ATOM 884 CG ASP B 41 -27.245 -10.403 0.498 1.00 0.00 C ATOM 885 OD1 ASP B 41 -28.435 -10.134 0.760 1.00 0.00 O ATOM 886 OD2 ASP B 41 -26.926 -11.335 -0.268 1.00 0.00 O1- ATOM 0 H ASP B 41 -24.673 -7.651 1.888 1.00 0.00 H new ATOM 0 HA ASP B 41 -25.284 -8.807 -0.686 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -25.283 -10.195 1.338 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -26.494 -9.171 2.084 1.00 0.00 H new ATOM 891 N GLU B 42 -27.200 -6.514 0.651 1.00 0.00 N ATOM 892 CA GLU B 42 -28.332 -5.629 0.383 1.00 0.00 C ATOM 893 C GLU B 42 -28.245 -5.031 -1.014 1.00 0.00 C ATOM 894 O GLU B 42 -29.251 -4.915 -1.714 1.00 0.00 O ATOM 895 CB GLU B 42 -28.404 -4.502 1.410 1.00 0.00 C ATOM 896 CG GLU B 42 -28.825 -4.965 2.792 1.00 0.00 C ATOM 897 CD GLU B 42 -30.193 -5.616 2.792 1.00 0.00 C ATOM 898 OE1 GLU B 42 -31.204 -4.886 2.836 1.00 0.00 O ATOM 899 OE2 GLU B 42 -30.266 -6.859 2.750 1.00 0.00 O1- ATOM 0 H GLU B 42 -26.651 -6.262 1.473 1.00 0.00 H new ATOM 0 HA GLU B 42 -29.236 -6.235 0.454 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -27.428 -4.022 1.479 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -29.107 -3.747 1.059 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -28.089 -5.672 3.175 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -28.831 -4.113 3.471 1.00 0.00 H new ATOM 906 N ILE B 43 -27.039 -4.660 -1.419 1.00 0.00 N ATOM 907 CA ILE B 43 -26.830 -4.076 -2.735 1.00 0.00 C ATOM 908 C ILE B 43 -26.555 -5.181 -3.758 1.00 0.00 C ATOM 909 O ILE B 43 -26.408 -4.930 -4.953 1.00 0.00 O ATOM 910 CB ILE B 43 -25.661 -3.059 -2.720 1.00 0.00 C ATOM 911 CG1 ILE B 43 -25.777 -2.117 -1.514 1.00 0.00 C ATOM 912 CG2 ILE B 43 -25.627 -2.243 -4.007 1.00 0.00 C ATOM 913 CD1 ILE B 43 -27.076 -1.334 -1.457 1.00 0.00 C ATOM 0 H ILE B 43 -26.193 -4.753 -0.857 1.00 0.00 H new ATOM 0 HA ILE B 43 -27.736 -3.540 -3.017 1.00 0.00 H new ATOM 0 HB ILE B 43 -24.733 -3.625 -2.642 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -25.678 -2.702 -0.600 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -24.944 -1.415 -1.534 1.00 0.00 H new ATOM 0 HG21 ILE B 43 -24.797 -1.538 -3.969 1.00 0.00 H new ATOM 0 HG22 ILE B 43 -25.496 -2.911 -4.858 1.00 0.00 H new ATOM 0 HG23 ILE B 43 -26.563 -1.696 -4.116 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -27.076 -0.693 -0.575 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -27.170 -0.719 -2.352 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -27.916 -2.026 -1.403 1.00 0.00 H new ATOM 925 N LYS B 44 -26.521 -6.419 -3.254 1.00 0.00 N ATOM 926 CA LYS B 44 -26.261 -7.609 -4.064 1.00 0.00 C ATOM 927 C LYS B 44 -24.940 -7.473 -4.810 1.00 0.00 C ATOM 928 O LYS B 44 -24.850 -7.752 -6.005 1.00 0.00 O ATOM 929 CB LYS B 44 -27.415 -7.870 -5.043 1.00 0.00 C ATOM 930 CG LYS B 44 -28.760 -8.099 -4.361 1.00 0.00 C ATOM 931 CD LYS B 44 -28.733 -9.327 -3.462 1.00 0.00 C ATOM 932 CE LYS B 44 -30.004 -9.443 -2.634 1.00 0.00 C ATOM 933 NZ LYS B 44 -29.923 -10.545 -1.638 1.00 0.00 N1+ ATOM 0 H LYS B 44 -26.674 -6.623 -2.266 1.00 0.00 H new ATOM 0 HA LYS B 44 -26.189 -8.465 -3.394 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -27.502 -7.022 -5.722 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -27.173 -8.742 -5.651 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -29.023 -7.221 -3.770 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -29.536 -8.218 -5.117 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -28.612 -10.222 -4.072 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -27.870 -9.274 -2.799 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -30.187 -8.501 -2.118 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -30.853 -9.614 -3.296 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -30.882 -10.872 -1.403 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -29.376 -11.334 -2.037 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -29.454 -10.200 -0.776 1.00 0.00 H new ATOM 947 N MET B 45 -23.914 -7.050 -4.092 1.00 0.00 N ATOM 948 CA MET B 45 -22.617 -6.809 -4.693 1.00 0.00 C ATOM 949 C MET B 45 -21.659 -7.951 -4.379 1.00 0.00 C ATOM 950 O MET B 45 -21.681 -8.509 -3.283 1.00 0.00 O ATOM 951 CB MET B 45 -22.049 -5.478 -4.201 1.00 0.00 C ATOM 952 CG MET B 45 -20.726 -5.108 -4.849 1.00 0.00 C ATOM 953 SD MET B 45 -20.263 -3.394 -4.556 1.00 0.00 S ATOM 954 CE MET B 45 -21.652 -2.552 -5.303 1.00 0.00 C ATOM 0 H MET B 45 -23.956 -6.866 -3.090 1.00 0.00 H new ATOM 0 HA MET B 45 -22.738 -6.757 -5.775 1.00 0.00 H new ATOM 0 HB2 MET B 45 -22.774 -4.688 -4.397 1.00 0.00 H new ATOM 0 HB3 MET B 45 -21.914 -5.527 -3.120 1.00 0.00 H new ATOM 0 HG2 MET B 45 -19.943 -5.762 -4.465 1.00 0.00 H new ATOM 0 HG3 MET B 45 -20.791 -5.284 -5.923 1.00 0.00 H new ATOM 0 HE1 MET B 45 -21.313 -1.618 -5.752 1.00 0.00 H new ATOM 0 HE2 MET B 45 -22.091 -3.186 -6.073 1.00 0.00 H new ATOM 0 HE3 MET B 45 -22.400 -2.337 -4.540 1.00 0.00 H new ATOM 964 N THR B 46 -20.837 -8.306 -5.356 1.00 0.00 N ATOM 965 CA THR B 46 -19.873 -9.380 -5.193 1.00 0.00 C ATOM 966 C THR B 46 -18.457 -8.828 -5.069 1.00 0.00 C ATOM 967 O THR B 46 -18.231 -7.636 -5.295 1.00 0.00 O ATOM 968 CB THR B 46 -19.927 -10.350 -6.388 1.00 0.00 C ATOM 969 OG1 THR B 46 -19.717 -9.623 -7.609 1.00 0.00 O ATOM 970 CG2 THR B 46 -21.265 -11.074 -6.441 1.00 0.00 C ATOM 0 H THR B 46 -20.820 -7.862 -6.274 1.00 0.00 H new ATOM 0 HA THR B 46 -20.133 -9.914 -4.279 1.00 0.00 H new ATOM 0 HB THR B 46 -19.140 -11.094 -6.265 1.00 0.00 H new ATOM 0 HG1 THR B 46 -19.750 -10.242 -8.368 1.00 0.00 H new ATOM 0 HG21 THR B 46 -21.278 -11.753 -7.294 1.00 0.00 H new ATOM 0 HG22 THR B 46 -21.408 -11.643 -5.522 1.00 0.00 H new ATOM 0 HG23 THR B 46 -22.069 -10.345 -6.545 1.00 0.00 H new ATOM 978 N TYR B 47 -17.510 -9.687 -4.711 1.00 0.00 N ATOM 979 CA TYR B 47 -16.106 -9.298 -4.643 1.00 0.00 C ATOM 980 C TYR B 47 -15.649 -8.735 -5.988 1.00 0.00 C ATOM 981 O TYR B 47 -15.047 -7.663 -6.049 1.00 0.00 O ATOM 982 CB TYR B 47 -15.246 -10.506 -4.242 1.00 0.00 C ATOM 983 CG TYR B 47 -13.749 -10.262 -4.282 1.00 0.00 C ATOM 984 CD1 TYR B 47 -13.018 -10.517 -5.436 1.00 0.00 C ATOM 985 CD2 TYR B 47 -13.068 -9.785 -3.168 1.00 0.00 C ATOM 986 CE1 TYR B 47 -11.656 -10.304 -5.482 1.00 0.00 C ATOM 987 CE2 TYR B 47 -11.701 -9.568 -3.208 1.00 0.00 C ATOM 988 CZ TYR B 47 -11.003 -9.829 -4.369 1.00 0.00 C ATOM 989 OH TYR B 47 -9.645 -9.610 -4.422 1.00 0.00 O ATOM 0 H TYR B 47 -17.689 -10.660 -4.463 1.00 0.00 H new ATOM 0 HA TYR B 47 -15.988 -8.521 -3.888 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -15.523 -10.813 -3.233 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -15.482 -11.339 -4.905 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -13.526 -10.889 -6.313 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -13.613 -9.581 -2.258 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -11.105 -10.509 -6.388 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -11.184 -9.197 -2.335 1.00 0.00 H new ATOM 0 HH TYR B 47 -9.191 -10.219 -3.802 1.00 0.00 H new ATOM 999 N GLU B 48 -15.980 -9.452 -7.062 1.00 0.00 N ATOM 1000 CA GLU B 48 -15.592 -9.058 -8.414 1.00 0.00 C ATOM 1001 C GLU B 48 -16.145 -7.681 -8.781 1.00 0.00 C ATOM 1002 O GLU B 48 -15.475 -6.886 -9.444 1.00 0.00 O ATOM 1003 CB GLU B 48 -16.082 -10.093 -9.426 1.00 0.00 C ATOM 1004 CG GLU B 48 -15.454 -11.464 -9.248 1.00 0.00 C ATOM 1005 CD GLU B 48 -16.016 -12.485 -10.213 1.00 0.00 C ATOM 1006 OE1 GLU B 48 -16.909 -13.263 -9.812 1.00 0.00 O ATOM 1007 OE2 GLU B 48 -15.577 -12.512 -11.380 1.00 0.00 O1- ATOM 0 H GLU B 48 -16.521 -10.316 -7.019 1.00 0.00 H new ATOM 0 HA GLU B 48 -14.504 -9.005 -8.441 1.00 0.00 H new ATOM 0 HB2 GLU B 48 -17.165 -10.185 -9.343 1.00 0.00 H new ATOM 0 HB3 GLU B 48 -15.869 -9.733 -10.433 1.00 0.00 H new ATOM 0 HG2 GLU B 48 -14.376 -11.388 -9.390 1.00 0.00 H new ATOM 0 HG3 GLU B 48 -15.617 -11.806 -8.226 1.00 0.00 H new ATOM 1014 N GLN B 49 -17.368 -7.399 -8.355 1.00 0.00 N ATOM 1015 CA GLN B 49 -17.989 -6.115 -8.644 1.00 0.00 C ATOM 1016 C GLN B 49 -17.375 -5.012 -7.787 1.00 0.00 C ATOM 1017 O GLN B 49 -17.290 -3.862 -8.200 1.00 0.00 O ATOM 1018 CB GLN B 49 -19.496 -6.181 -8.399 1.00 0.00 C ATOM 1019 CG GLN B 49 -20.212 -4.882 -8.731 1.00 0.00 C ATOM 1020 CD GLN B 49 -20.143 -4.542 -10.208 1.00 0.00 C ATOM 1021 OE1 GLN B 49 -20.079 -5.428 -11.061 1.00 0.00 O ATOM 1022 NE2 GLN B 49 -20.155 -3.257 -10.521 1.00 0.00 N ATOM 0 H GLN B 49 -17.947 -8.038 -7.811 1.00 0.00 H new ATOM 0 HA GLN B 49 -17.810 -5.884 -9.694 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -19.921 -6.986 -8.999 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -19.677 -6.432 -7.354 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -21.256 -4.958 -8.427 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -19.771 -4.070 -8.153 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -20.209 -2.553 -9.785 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -20.110 -2.970 -11.499 1.00 0.00 H new ATOM 1031 N CYS B 50 -16.941 -5.378 -6.599 1.00 0.00 N ATOM 1032 CA CYS B 50 -16.378 -4.423 -5.659 1.00 0.00 C ATOM 1033 C CYS B 50 -14.961 -4.011 -6.062 1.00 0.00 C ATOM 1034 O CYS B 50 -14.634 -2.823 -6.070 1.00 0.00 O ATOM 1035 CB CYS B 50 -16.383 -5.017 -4.249 1.00 0.00 C ATOM 1036 SG CYS B 50 -15.516 -4.008 -3.004 1.00 0.00 S ATOM 0 H CYS B 50 -16.967 -6.338 -6.256 1.00 0.00 H new ATOM 0 HA CYS B 50 -16.997 -3.526 -5.672 1.00 0.00 H new ATOM 0 HB2 CYS B 50 -17.416 -5.157 -3.930 1.00 0.00 H new ATOM 0 HB3 CYS B 50 -15.923 -6.005 -4.282 1.00 0.00 H new ATOM 1041 N VAL B 51 -14.132 -4.984 -6.431 1.00 0.00 N ATOM 1042 CA VAL B 51 -12.724 -4.716 -6.730 1.00 0.00 C ATOM 1043 C VAL B 51 -12.528 -3.865 -7.980 1.00 0.00 C ATOM 1044 O VAL B 51 -11.420 -3.399 -8.239 1.00 0.00 O ATOM 1045 CB VAL B 51 -11.886 -6.003 -6.872 1.00 0.00 C ATOM 1046 CG1 VAL B 51 -11.643 -6.638 -5.515 1.00 0.00 C ATOM 1047 CG2 VAL B 51 -12.549 -6.986 -7.823 1.00 0.00 C ATOM 0 H VAL B 51 -14.407 -5.961 -6.530 1.00 0.00 H new ATOM 0 HA VAL B 51 -12.370 -4.155 -5.865 1.00 0.00 H new ATOM 0 HB VAL B 51 -10.920 -5.731 -7.297 1.00 0.00 H new ATOM 0 HG11 VAL B 51 -11.050 -7.544 -5.638 1.00 0.00 H new ATOM 0 HG12 VAL B 51 -11.106 -5.937 -4.876 1.00 0.00 H new ATOM 0 HG13 VAL B 51 -12.598 -6.889 -5.055 1.00 0.00 H new ATOM 0 HG21 VAL B 51 -11.936 -7.884 -7.904 1.00 0.00 H new ATOM 0 HG22 VAL B 51 -13.535 -7.253 -7.442 1.00 0.00 H new ATOM 0 HG23 VAL B 51 -12.652 -6.527 -8.806 1.00 0.00 H new ATOM 1057 N THR B 52 -13.577 -3.672 -8.767 1.00 0.00 N ATOM 1058 CA THR B 52 -13.474 -2.808 -9.931 1.00 0.00 C ATOM 1059 C THR B 52 -13.844 -1.374 -9.554 1.00 0.00 C ATOM 1060 O THR B 52 -13.584 -0.431 -10.302 1.00 0.00 O ATOM 1061 CB THR B 52 -14.356 -3.304 -11.105 1.00 0.00 C ATOM 1062 OG1 THR B 52 -14.136 -2.501 -12.271 1.00 0.00 O ATOM 1063 CG2 THR B 52 -15.832 -3.275 -10.748 1.00 0.00 C ATOM 0 H THR B 52 -14.494 -4.095 -8.624 1.00 0.00 H new ATOM 0 HA THR B 52 -12.439 -2.836 -10.272 1.00 0.00 H new ATOM 0 HB THR B 52 -14.070 -4.336 -11.310 1.00 0.00 H new ATOM 0 HG1 THR B 52 -13.924 -1.583 -12.001 1.00 0.00 H new ATOM 0 HG21 THR B 52 -16.418 -3.630 -11.596 1.00 0.00 H new ATOM 0 HG22 THR B 52 -16.011 -3.920 -9.888 1.00 0.00 H new ATOM 0 HG23 THR B 52 -16.127 -2.255 -10.504 1.00 0.00 H new ATOM 1071 N LEU B 53 -14.422 -1.211 -8.370 1.00 0.00 N ATOM 1072 CA LEU B 53 -14.858 0.099 -7.907 1.00 0.00 C ATOM 1073 C LEU B 53 -13.820 0.704 -6.970 1.00 0.00 C ATOM 1074 O LEU B 53 -13.621 1.917 -6.940 1.00 0.00 O ATOM 1075 CB LEU B 53 -16.199 -0.015 -7.189 1.00 0.00 C ATOM 1076 CG LEU B 53 -17.244 -0.861 -7.914 1.00 0.00 C ATOM 1077 CD1 LEU B 53 -18.543 -0.890 -7.133 1.00 0.00 C ATOM 1078 CD2 LEU B 53 -17.483 -0.351 -9.326 1.00 0.00 C ATOM 0 H LEU B 53 -14.599 -1.971 -7.713 1.00 0.00 H new ATOM 0 HA LEU B 53 -14.973 0.750 -8.773 1.00 0.00 H new ATOM 0 HB2 LEU B 53 -16.030 -0.440 -6.200 1.00 0.00 H new ATOM 0 HB3 LEU B 53 -16.602 0.987 -7.041 1.00 0.00 H new ATOM 0 HG LEU B 53 -16.858 -1.878 -7.985 1.00 0.00 H new ATOM 0 HD11 LEU B 53 -19.274 -1.498 -7.666 1.00 0.00 H new ATOM 0 HD12 LEU B 53 -18.365 -1.318 -6.147 1.00 0.00 H new ATOM 0 HD13 LEU B 53 -18.925 0.125 -7.024 1.00 0.00 H new ATOM 0 HD21 LEU B 53 -18.232 -0.974 -9.816 1.00 0.00 H new ATOM 0 HD22 LEU B 53 -17.838 0.679 -9.286 1.00 0.00 H new ATOM 0 HD23 LEU B 53 -16.551 -0.392 -9.890 1.00 0.00 H new ATOM 1090 N ILE B 54 -13.158 -0.166 -6.213 1.00 0.00 N ATOM 1091 CA ILE B 54 -12.133 0.242 -5.249 1.00 0.00 C ATOM 1092 C ILE B 54 -11.009 1.096 -5.876 1.00 0.00 C ATOM 1093 O ILE B 54 -10.583 2.071 -5.263 1.00 0.00 O ATOM 1094 CB ILE B 54 -11.507 -0.979 -4.538 1.00 0.00 C ATOM 1095 CG1 ILE B 54 -12.595 -1.836 -3.884 1.00 0.00 C ATOM 1096 CG2 ILE B 54 -10.498 -0.523 -3.492 1.00 0.00 C ATOM 1097 CD1 ILE B 54 -13.402 -1.098 -2.840 1.00 0.00 C ATOM 0 H ILE B 54 -13.314 -1.173 -6.248 1.00 0.00 H new ATOM 0 HA ILE B 54 -12.655 0.863 -4.521 1.00 0.00 H new ATOM 0 HB ILE B 54 -10.990 -1.583 -5.284 1.00 0.00 H new ATOM 0 HG12 ILE B 54 -13.268 -2.205 -4.657 1.00 0.00 H new ATOM 0 HG13 ILE B 54 -12.131 -2.708 -3.423 1.00 0.00 H new ATOM 0 HG21 ILE B 54 -10.066 -1.394 -3.000 1.00 0.00 H new ATOM 0 HG22 ILE B 54 -9.707 0.051 -3.975 1.00 0.00 H new ATOM 0 HG23 ILE B 54 -10.998 0.101 -2.752 1.00 0.00 H new ATOM 0 HD11 ILE B 54 -14.153 -1.767 -2.420 1.00 0.00 H new ATOM 0 HD12 ILE B 54 -12.740 -0.752 -2.046 1.00 0.00 H new ATOM 0 HD13 ILE B 54 -13.896 -0.242 -3.300 1.00 0.00 H new ATOM 1109 N PRO B 55 -10.498 0.744 -7.085 1.00 0.00 N ATOM 1110 CA PRO B 55 -9.454 1.531 -7.779 1.00 0.00 C ATOM 1111 C PRO B 55 -9.778 3.028 -7.897 1.00 0.00 C ATOM 1112 O PRO B 55 -8.895 3.845 -8.163 1.00 0.00 O ATOM 1113 CB PRO B 55 -9.382 0.882 -9.163 1.00 0.00 C ATOM 1114 CG PRO B 55 -9.816 -0.522 -8.938 1.00 0.00 C ATOM 1115 CD PRO B 55 -10.851 -0.463 -7.854 1.00 0.00 C ATOM 0 HA PRO B 55 -8.515 1.511 -7.226 1.00 0.00 H new ATOM 0 HB2 PRO B 55 -10.034 1.390 -9.874 1.00 0.00 H new ATOM 0 HB3 PRO B 55 -8.372 0.925 -9.570 1.00 0.00 H new ATOM 0 HG2 PRO B 55 -10.229 -0.954 -9.849 1.00 0.00 H new ATOM 0 HG3 PRO B 55 -8.975 -1.148 -8.641 1.00 0.00 H new ATOM 0 HD2 PRO B 55 -11.857 -0.392 -8.267 1.00 0.00 H new ATOM 0 HD3 PRO B 55 -10.825 -1.356 -7.229 1.00 0.00 H new ATOM 1123 N GLU B 56 -11.044 3.379 -7.722 1.00 0.00 N ATOM 1124 CA GLU B 56 -11.455 4.777 -7.698 1.00 0.00 C ATOM 1125 C GLU B 56 -11.046 5.418 -6.370 1.00 0.00 C ATOM 1126 O GLU B 56 -10.454 6.496 -6.336 1.00 0.00 O ATOM 1127 CB GLU B 56 -12.972 4.872 -7.897 1.00 0.00 C ATOM 1128 CG GLU B 56 -13.541 6.277 -7.768 1.00 0.00 C ATOM 1129 CD GLU B 56 -13.045 7.223 -8.847 1.00 0.00 C ATOM 1130 OE1 GLU B 56 -13.530 7.133 -9.992 1.00 0.00 O ATOM 1131 OE2 GLU B 56 -12.191 8.082 -8.545 1.00 0.00 O1- ATOM 0 H GLU B 56 -11.807 2.714 -7.594 1.00 0.00 H new ATOM 0 HA GLU B 56 -10.961 5.314 -8.508 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -13.221 4.483 -8.884 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -13.462 4.227 -7.167 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -14.629 6.227 -7.810 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -13.278 6.681 -6.790 1.00 0.00 H new ATOM 1138 N SER B 57 -11.332 4.724 -5.281 1.00 0.00 N ATOM 1139 CA SER B 57 -11.061 5.239 -3.951 1.00 0.00 C ATOM 1140 C SER B 57 -9.593 5.048 -3.565 1.00 0.00 C ATOM 1141 O SER B 57 -9.080 5.763 -2.701 1.00 0.00 O ATOM 1142 CB SER B 57 -11.975 4.545 -2.946 1.00 0.00 C ATOM 1143 OG SER B 57 -13.340 4.749 -3.276 1.00 0.00 O ATOM 0 H SER B 57 -11.755 3.796 -5.294 1.00 0.00 H new ATOM 0 HA SER B 57 -11.260 6.311 -3.945 1.00 0.00 H new ATOM 0 HB2 SER B 57 -11.757 3.477 -2.928 1.00 0.00 H new ATOM 0 HB3 SER B 57 -11.778 4.928 -1.945 1.00 0.00 H new ATOM 0 HG SER B 57 -13.728 5.411 -2.667 1.00 0.00 H new ATOM 1149 N THR B 58 -8.917 4.095 -4.209 1.00 0.00 N ATOM 1150 CA THR B 58 -7.499 3.852 -3.947 1.00 0.00 C ATOM 1151 C THR B 58 -6.683 5.122 -4.174 1.00 0.00 C ATOM 1152 O THR B 58 -5.959 5.575 -3.288 1.00 0.00 O ATOM 1153 CB THR B 58 -6.919 2.729 -4.838 1.00 0.00 C ATOM 1154 OG1 THR B 58 -7.143 3.030 -6.217 1.00 0.00 O ATOM 1155 CG2 THR B 58 -7.537 1.382 -4.513 1.00 0.00 C ATOM 0 H THR B 58 -9.327 3.481 -4.913 1.00 0.00 H new ATOM 0 HA THR B 58 -7.430 3.539 -2.905 1.00 0.00 H new ATOM 0 HB THR B 58 -5.849 2.673 -4.639 1.00 0.00 H new ATOM 0 HG1 THR B 58 -6.520 2.514 -6.770 1.00 0.00 H new ATOM 0 HG21 THR B 58 -7.105 0.618 -5.159 1.00 0.00 H new ATOM 0 HG22 THR B 58 -7.337 1.132 -3.471 1.00 0.00 H new ATOM 0 HG23 THR B 58 -8.614 1.427 -4.675 1.00 0.00 H new ATOM 1163 N LYS B 59 -6.825 5.696 -5.365 1.00 0.00 N ATOM 1164 CA LYS B 59 -6.109 6.910 -5.726 1.00 0.00 C ATOM 1165 C LYS B 59 -6.556 8.072 -4.846 1.00 0.00 C ATOM 1166 O LYS B 59 -5.737 8.881 -4.408 1.00 0.00 O ATOM 1167 CB LYS B 59 -6.345 7.245 -7.200 1.00 0.00 C ATOM 1168 CG LYS B 59 -5.504 8.403 -7.709 1.00 0.00 C ATOM 1169 CD LYS B 59 -4.024 8.056 -7.715 1.00 0.00 C ATOM 1170 CE LYS B 59 -3.183 9.200 -8.256 1.00 0.00 C ATOM 1171 NZ LYS B 59 -3.573 9.573 -9.643 1.00 0.00 N1+ ATOM 0 H LYS B 59 -7.434 5.335 -6.099 1.00 0.00 H new ATOM 0 HA LYS B 59 -5.043 6.744 -5.569 1.00 0.00 H new ATOM 0 HB2 LYS B 59 -6.132 6.362 -7.802 1.00 0.00 H new ATOM 0 HB3 LYS B 59 -7.399 7.483 -7.344 1.00 0.00 H new ATOM 0 HG2 LYS B 59 -5.821 8.668 -8.718 1.00 0.00 H new ATOM 0 HG3 LYS B 59 -5.671 9.279 -7.082 1.00 0.00 H new ATOM 0 HD2 LYS B 59 -3.702 7.815 -6.702 1.00 0.00 H new ATOM 0 HD3 LYS B 59 -3.861 7.165 -8.322 1.00 0.00 H new ATOM 0 HE2 LYS B 59 -3.289 10.067 -7.604 1.00 0.00 H new ATOM 0 HE3 LYS B 59 -2.131 8.916 -8.240 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 -2.830 10.166 -10.065 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 -3.694 8.712 -10.213 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 -4.468 10.102 -9.622 1.00 0.00 H new ATOM 1185 N LYS B 60 -7.857 8.128 -4.577 1.00 0.00 N ATOM 1186 CA LYS B 60 -8.425 9.150 -3.707 1.00 0.00 C ATOM 1187 C LYS B 60 -7.692 9.191 -2.370 1.00 0.00 C ATOM 1188 O LYS B 60 -7.165 10.230 -1.970 1.00 0.00 O ATOM 1189 CB LYS B 60 -9.916 8.876 -3.477 1.00 0.00 C ATOM 1190 CG LYS B 60 -10.477 9.544 -2.229 1.00 0.00 C ATOM 1191 CD LYS B 60 -11.963 9.269 -2.050 1.00 0.00 C ATOM 1192 CE LYS B 60 -12.798 9.890 -3.158 1.00 0.00 C ATOM 1193 NZ LYS B 60 -14.253 9.671 -2.946 1.00 0.00 N1+ ATOM 0 H LYS B 60 -8.541 7.472 -4.953 1.00 0.00 H new ATOM 0 HA LYS B 60 -8.309 10.118 -4.194 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -10.477 9.220 -4.346 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -10.071 7.800 -3.403 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -9.935 9.188 -1.353 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -10.313 10.620 -2.290 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -12.132 8.192 -2.030 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -12.290 9.661 -1.087 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -12.596 10.960 -3.209 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -12.503 9.464 -4.117 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -14.794 10.321 -3.551 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -14.495 8.689 -3.189 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -14.489 9.849 -1.949 1.00 0.00 H new ATOM 1207 N CYS B 61 -7.640 8.053 -1.701 1.00 0.00 N ATOM 1208 CA CYS B 61 -7.035 7.978 -0.384 1.00 0.00 C ATOM 1209 C CYS B 61 -5.513 8.005 -0.473 1.00 0.00 C ATOM 1210 O CYS B 61 -4.829 8.307 0.507 1.00 0.00 O ATOM 1211 CB CYS B 61 -7.521 6.727 0.340 1.00 0.00 C ATOM 1212 SG CYS B 61 -9.328 6.691 0.579 1.00 0.00 S ATOM 0 H CYS B 61 -8.010 7.168 -2.048 1.00 0.00 H new ATOM 0 HA CYS B 61 -7.341 8.854 0.189 1.00 0.00 H new ATOM 0 HB2 CYS B 61 -7.218 5.847 -0.227 1.00 0.00 H new ATOM 0 HB3 CYS B 61 -7.031 6.664 1.312 1.00 0.00 H new ATOM 1217 N GLN B 62 -4.982 7.702 -1.652 1.00 0.00 N ATOM 1218 CA GLN B 62 -3.550 7.790 -1.883 1.00 0.00 C ATOM 1219 C GLN B 62 -3.104 9.245 -1.809 1.00 0.00 C ATOM 1220 O GLN B 62 -2.159 9.577 -1.097 1.00 0.00 O ATOM 1221 CB GLN B 62 -3.184 7.181 -3.240 1.00 0.00 C ATOM 1222 CG GLN B 62 -1.696 7.211 -3.549 1.00 0.00 C ATOM 1223 CD GLN B 62 -1.322 8.275 -4.564 1.00 0.00 C ATOM 1224 OE1 GLN B 62 -1.332 8.026 -5.766 1.00 0.00 O ATOM 1225 NE2 GLN B 62 -0.980 9.460 -4.089 1.00 0.00 N ATOM 0 H GLN B 62 -5.523 7.394 -2.460 1.00 0.00 H new ATOM 0 HA GLN B 62 -3.032 7.223 -1.109 1.00 0.00 H new ATOM 0 HB2 GLN B 62 -3.530 6.148 -3.268 1.00 0.00 H new ATOM 0 HB3 GLN B 62 -3.718 7.718 -4.024 1.00 0.00 H new ATOM 0 HG2 GLN B 62 -1.143 7.386 -2.626 1.00 0.00 H new ATOM 0 HG3 GLN B 62 -1.389 6.235 -3.924 1.00 0.00 H new ATOM 0 HE21 GLN B 62 -0.985 9.627 -3.083 1.00 0.00 H new ATOM 0 HE22 GLN B 62 -0.711 10.208 -4.729 1.00 0.00 H new ATOM 1234 N ASP B 63 -3.802 10.113 -2.535 1.00 0.00 N ATOM 1235 CA ASP B 63 -3.498 11.545 -2.524 1.00 0.00 C ATOM 1236 C ASP B 63 -3.786 12.159 -1.159 1.00 0.00 C ATOM 1237 O ASP B 63 -3.280 13.231 -0.831 1.00 0.00 O ATOM 1238 CB ASP B 63 -4.287 12.288 -3.604 1.00 0.00 C ATOM 1239 CG ASP B 63 -3.688 12.125 -4.986 1.00 0.00 C ATOM 1240 OD1 ASP B 63 -4.235 11.343 -5.788 1.00 0.00 O ATOM 1241 OD2 ASP B 63 -2.670 12.790 -5.279 1.00 0.00 O1- ATOM 0 H ASP B 63 -4.582 9.853 -3.139 1.00 0.00 H new ATOM 0 HA ASP B 63 -2.434 11.650 -2.736 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -5.314 11.923 -3.613 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -4.328 13.348 -3.353 1.00 0.00 H new ATOM 1246 N GLU B 64 -4.611 11.485 -0.370 1.00 0.00 N ATOM 1247 CA GLU B 64 -4.874 11.907 0.999 1.00 0.00 C ATOM 1248 C GLU B 64 -3.612 11.834 1.846 1.00 0.00 C ATOM 1249 O GLU B 64 -3.140 12.833 2.389 1.00 0.00 O ATOM 1250 CB GLU B 64 -5.940 11.015 1.637 1.00 0.00 C ATOM 1251 CG GLU B 64 -7.325 11.203 1.049 1.00 0.00 C ATOM 1252 CD GLU B 64 -7.858 12.597 1.279 1.00 0.00 C ATOM 1253 OE1 GLU B 64 -7.638 13.474 0.420 1.00 0.00 O ATOM 1254 OE2 GLU B 64 -8.494 12.825 2.329 1.00 0.00 O1- ATOM 0 H GLU B 64 -5.110 10.642 -0.655 1.00 0.00 H new ATOM 0 HA GLU B 64 -5.224 12.938 0.961 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -5.645 9.972 1.522 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -5.979 11.219 2.707 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -7.294 11.000 -0.021 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -8.007 10.477 1.492 1.00 0.00 H new ATOM 1261 N LEU B 65 -3.072 10.636 1.929 1.00 0.00 N ATOM 1262 CA LEU B 65 -1.997 10.327 2.856 1.00 0.00 C ATOM 1263 C LEU B 65 -0.620 10.646 2.282 1.00 0.00 C ATOM 1264 O LEU B 65 0.311 10.922 3.036 1.00 0.00 O ATOM 1265 CB LEU B 65 -2.099 8.857 3.241 1.00 0.00 C ATOM 1266 CG LEU B 65 -3.476 8.451 3.768 1.00 0.00 C ATOM 1267 CD1 LEU B 65 -3.680 6.959 3.635 1.00 0.00 C ATOM 1268 CD2 LEU B 65 -3.648 8.887 5.216 1.00 0.00 C ATOM 0 H LEU B 65 -3.365 9.845 1.355 1.00 0.00 H new ATOM 0 HA LEU B 65 -2.108 10.957 3.739 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -1.859 8.246 2.371 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -1.350 8.637 4.002 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.232 8.955 3.167 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -4.666 6.691 4.016 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -3.606 6.674 2.586 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -2.915 6.435 4.208 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -4.634 8.588 5.571 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -2.882 8.415 5.832 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.551 9.971 5.284 1.00 0.00 H new ATOM 1280 N TYR B 66 -0.498 10.599 0.953 1.00 0.00 N ATOM 1281 CA TYR B 66 0.781 10.822 0.256 1.00 0.00 C ATOM 1282 C TYR B 66 1.550 12.027 0.809 1.00 0.00 C ATOM 1283 O TYR B 66 2.767 11.960 0.988 1.00 0.00 O ATOM 1284 CB TYR B 66 0.527 11.000 -1.249 1.00 0.00 C ATOM 1285 CG TYR B 66 1.753 11.368 -2.066 1.00 0.00 C ATOM 1286 CD1 TYR B 66 2.026 12.693 -2.390 1.00 0.00 C ATOM 1287 CD2 TYR B 66 2.629 10.393 -2.521 1.00 0.00 C ATOM 1288 CE1 TYR B 66 3.135 13.032 -3.140 1.00 0.00 C ATOM 1289 CE2 TYR B 66 3.743 10.724 -3.271 1.00 0.00 C ATOM 1290 CZ TYR B 66 3.991 12.044 -3.578 1.00 0.00 C ATOM 1291 OH TYR B 66 5.099 12.378 -4.324 1.00 0.00 O ATOM 0 H TYR B 66 -1.279 10.406 0.326 1.00 0.00 H new ATOM 0 HA TYR B 66 1.403 9.943 0.426 1.00 0.00 H new ATOM 0 HB2 TYR B 66 0.110 10.074 -1.644 1.00 0.00 H new ATOM 0 HB3 TYR B 66 -0.228 11.774 -1.386 1.00 0.00 H new ATOM 0 HD1 TYR B 66 1.359 13.471 -2.049 1.00 0.00 H new ATOM 0 HD2 TYR B 66 2.438 9.357 -2.285 1.00 0.00 H new ATOM 0 HE1 TYR B 66 3.331 14.066 -3.382 1.00 0.00 H new ATOM 0 HE2 TYR B 66 4.415 9.951 -3.614 1.00 0.00 H new ATOM 0 HH TYR B 66 5.597 11.565 -4.551 1.00 0.00 H new ATOM 1301 N ALA B 67 0.840 13.113 1.084 1.00 0.00 N ATOM 1302 CA ALA B 67 1.464 14.335 1.584 1.00 0.00 C ATOM 1303 C ALA B 67 2.096 14.129 2.960 1.00 0.00 C ATOM 1304 O ALA B 67 3.135 14.712 3.268 1.00 0.00 O ATOM 1305 CB ALA B 67 0.443 15.461 1.640 1.00 0.00 C ATOM 0 H ALA B 67 -0.172 13.174 0.969 1.00 0.00 H new ATOM 0 HA ALA B 67 2.261 14.604 0.891 1.00 0.00 H new ATOM 0 HB1 ALA B 67 0.920 16.367 2.014 1.00 0.00 H new ATOM 0 HB2 ALA B 67 0.049 15.645 0.640 1.00 0.00 H new ATOM 0 HB3 ALA B 67 -0.373 15.179 2.305 1.00 0.00 H new ATOM 1311 N SER B 68 1.475 13.294 3.778 1.00 0.00 N ATOM 1312 CA SER B 68 1.947 13.056 5.135 1.00 0.00 C ATOM 1313 C SER B 68 2.943 11.897 5.173 1.00 0.00 C ATOM 1314 O SER B 68 3.706 11.744 6.131 1.00 0.00 O ATOM 1315 CB SER B 68 0.757 12.757 6.046 1.00 0.00 C ATOM 1316 OG SER B 68 -0.259 13.734 5.889 1.00 0.00 O ATOM 0 H SER B 68 0.639 12.767 3.525 1.00 0.00 H new ATOM 0 HA SER B 68 2.458 13.952 5.487 1.00 0.00 H new ATOM 0 HB2 SER B 68 0.356 11.770 5.815 1.00 0.00 H new ATOM 0 HB3 SER B 68 1.086 12.733 7.085 1.00 0.00 H new ATOM 0 HG SER B 68 -1.011 13.522 6.480 1.00 0.00 H new ATOM 1322 N MET B 69 2.928 11.089 4.122 1.00 0.00 N ATOM 1323 CA MET B 69 3.805 9.931 4.023 1.00 0.00 C ATOM 1324 C MET B 69 5.261 10.355 3.879 1.00 0.00 C ATOM 1325 O MET B 69 5.573 11.305 3.160 1.00 0.00 O ATOM 1326 CB MET B 69 3.406 9.070 2.825 1.00 0.00 C ATOM 1327 CG MET B 69 2.055 8.394 2.971 1.00 0.00 C ATOM 1328 SD MET B 69 1.594 7.451 1.505 1.00 0.00 S ATOM 1329 CE MET B 69 2.894 6.221 1.473 1.00 0.00 C ATOM 0 H MET B 69 2.312 11.216 3.319 1.00 0.00 H new ATOM 0 HA MET B 69 3.700 9.353 4.941 1.00 0.00 H new ATOM 0 HB2 MET B 69 3.394 9.693 1.931 1.00 0.00 H new ATOM 0 HB3 MET B 69 4.168 8.306 2.670 1.00 0.00 H new ATOM 0 HG2 MET B 69 2.076 7.730 3.835 1.00 0.00 H new ATOM 0 HG3 MET B 69 1.294 9.149 3.168 1.00 0.00 H new ATOM 0 HE1 MET B 69 2.768 5.581 0.600 1.00 0.00 H new ATOM 0 HE2 MET B 69 3.863 6.717 1.423 1.00 0.00 H new ATOM 0 HE3 MET B 69 2.843 5.615 2.377 1.00 0.00 H new ATOM 1339 N PRO B 70 6.169 9.649 4.567 1.00 0.00 N ATOM 1340 CA PRO B 70 7.606 9.907 4.476 1.00 0.00 C ATOM 1341 C PRO B 70 8.177 9.467 3.133 1.00 0.00 C ATOM 1342 O PRO B 70 7.477 8.825 2.351 1.00 0.00 O ATOM 1343 CB PRO B 70 8.190 9.060 5.606 1.00 0.00 C ATOM 1344 CG PRO B 70 7.215 7.952 5.786 1.00 0.00 C ATOM 1345 CD PRO B 70 5.864 8.542 5.490 1.00 0.00 C ATOM 0 HA PRO B 70 7.841 10.968 4.559 1.00 0.00 H new ATOM 0 HB2 PRO B 70 9.178 8.680 5.347 1.00 0.00 H new ATOM 0 HB3 PRO B 70 8.302 9.642 6.521 1.00 0.00 H new ATOM 0 HG2 PRO B 70 7.436 7.124 5.113 1.00 0.00 H new ATOM 0 HG3 PRO B 70 7.255 7.557 6.801 1.00 0.00 H new ATOM 0 HD2 PRO B 70 5.197 7.810 5.033 1.00 0.00 H new ATOM 0 HD3 PRO B 70 5.374 8.898 6.396 1.00 0.00 H new ATOM 1353 N ASP B 71 9.433 9.801 2.871 1.00 0.00 N ATOM 1354 CA ASP B 71 10.058 9.471 1.591 1.00 0.00 C ATOM 1355 C ASP B 71 10.031 7.969 1.338 1.00 0.00 C ATOM 1356 O ASP B 71 9.627 7.514 0.264 1.00 0.00 O ATOM 1357 CB ASP B 71 11.497 9.980 1.544 1.00 0.00 C ATOM 1358 CG ASP B 71 12.163 9.714 0.208 1.00 0.00 C ATOM 1359 OD1 ASP B 71 13.214 9.035 0.187 1.00 0.00 O ATOM 1360 OD2 ASP B 71 11.636 10.174 -0.828 1.00 0.00 O1- ATOM 0 H ASP B 71 10.040 10.298 3.523 1.00 0.00 H new ATOM 0 HA ASP B 71 9.484 9.964 0.807 1.00 0.00 H new ATOM 0 HB2 ASP B 71 11.507 11.051 1.744 1.00 0.00 H new ATOM 0 HB3 ASP B 71 12.074 9.502 2.336 1.00 0.00 H new ATOM 1365 N LYS B 72 10.441 7.199 2.335 1.00 0.00 N ATOM 1366 CA LYS B 72 10.471 5.754 2.199 1.00 0.00 C ATOM 1367 C LYS B 72 9.564 5.083 3.221 1.00 0.00 C ATOM 1368 O LYS B 72 9.231 5.660 4.258 1.00 0.00 O ATOM 1369 CB LYS B 72 11.900 5.228 2.317 1.00 0.00 C ATOM 1370 CG LYS B 72 12.842 5.813 1.276 1.00 0.00 C ATOM 1371 CD LYS B 72 14.141 5.033 1.193 1.00 0.00 C ATOM 1372 CE LYS B 72 15.035 5.557 0.080 1.00 0.00 C ATOM 1373 NZ LYS B 72 16.249 4.717 -0.101 1.00 0.00 N1+ ATOM 0 H LYS B 72 10.755 7.549 3.240 1.00 0.00 H new ATOM 0 HA LYS B 72 10.095 5.506 1.206 1.00 0.00 H new ATOM 0 HB2 LYS B 72 12.283 5.455 3.312 1.00 0.00 H new ATOM 0 HB3 LYS B 72 11.890 4.142 2.219 1.00 0.00 H new ATOM 0 HG2 LYS B 72 12.354 5.811 0.302 1.00 0.00 H new ATOM 0 HG3 LYS B 72 13.057 6.853 1.523 1.00 0.00 H new ATOM 0 HD2 LYS B 72 14.667 5.098 2.145 1.00 0.00 H new ATOM 0 HD3 LYS B 72 13.923 3.979 1.021 1.00 0.00 H new ATOM 0 HE2 LYS B 72 14.472 5.587 -0.853 1.00 0.00 H new ATOM 0 HE3 LYS B 72 15.333 6.581 0.306 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 16.831 5.109 -0.869 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 16.800 4.708 0.781 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 15.966 3.746 -0.342 1.00 0.00 H new ATOM 1387 N ILE B 73 9.187 3.850 2.919 1.00 0.00 N ATOM 1388 CA ILE B 73 8.186 3.124 3.681 1.00 0.00 C ATOM 1389 C ILE B 73 8.733 1.765 4.105 1.00 0.00 C ATOM 1390 O ILE B 73 9.062 0.929 3.261 1.00 0.00 O ATOM 1391 CB ILE B 73 6.904 2.915 2.839 1.00 0.00 C ATOM 1392 CG1 ILE B 73 6.318 4.259 2.387 1.00 0.00 C ATOM 1393 CG2 ILE B 73 5.866 2.121 3.617 1.00 0.00 C ATOM 1394 CD1 ILE B 73 5.867 5.152 3.525 1.00 0.00 C ATOM 0 H ILE B 73 9.570 3.323 2.134 1.00 0.00 H new ATOM 0 HA ILE B 73 7.940 3.712 4.565 1.00 0.00 H new ATOM 0 HB ILE B 73 7.179 2.345 1.952 1.00 0.00 H new ATOM 0 HG12 ILE B 73 7.066 4.789 1.798 1.00 0.00 H new ATOM 0 HG13 ILE B 73 5.469 4.070 1.729 1.00 0.00 H new ATOM 0 HG21 ILE B 73 4.975 1.988 3.004 1.00 0.00 H new ATOM 0 HG22 ILE B 73 6.275 1.145 3.879 1.00 0.00 H new ATOM 0 HG23 ILE B 73 5.603 2.660 4.527 1.00 0.00 H new ATOM 0 HD11 ILE B 73 5.466 6.081 3.121 1.00 0.00 H new ATOM 0 HD12 ILE B 73 5.095 4.644 4.102 1.00 0.00 H new ATOM 0 HD13 ILE B 73 6.716 5.374 4.172 1.00 0.00 H new ATOM 1406 N ASN B 74 8.838 1.552 5.408 1.00 0.00 N ATOM 1407 CA ASN B 74 9.339 0.289 5.934 1.00 0.00 C ATOM 1408 C ASN B 74 8.165 -0.638 6.248 1.00 0.00 C ATOM 1409 O ASN B 74 7.013 -0.250 6.069 1.00 0.00 O ATOM 1410 CB ASN B 74 10.183 0.538 7.186 1.00 0.00 C ATOM 1411 CG ASN B 74 11.160 -0.587 7.466 1.00 0.00 C ATOM 1412 OD1 ASN B 74 10.835 -1.559 8.150 1.00 0.00 O ATOM 1413 ND2 ASN B 74 12.369 -0.456 6.949 1.00 0.00 N ATOM 0 H ASN B 74 8.584 2.236 6.121 1.00 0.00 H new ATOM 0 HA ASN B 74 9.972 -0.189 5.186 1.00 0.00 H new ATOM 0 HB2 ASN B 74 10.734 1.471 7.068 1.00 0.00 H new ATOM 0 HB3 ASN B 74 9.524 0.663 8.045 1.00 0.00 H new ATOM 0 HD21 ASN B 74 13.074 -1.176 7.111 1.00 0.00 H new ATOM 0 HD22 ASN B 74 12.598 0.365 6.388 1.00 0.00 H new ATOM 1420 N SER B 75 8.451 -1.845 6.721 1.00 0.00 N ATOM 1421 CA SER B 75 7.415 -2.842 6.987 1.00 0.00 C ATOM 1422 C SER B 75 6.337 -2.303 7.936 1.00 0.00 C ATOM 1423 O SER B 75 5.139 -2.439 7.671 1.00 0.00 O ATOM 1424 CB SER B 75 8.055 -4.101 7.566 1.00 0.00 C ATOM 1425 OG SER B 75 9.093 -4.565 6.717 1.00 0.00 O ATOM 0 H SER B 75 9.398 -2.161 6.930 1.00 0.00 H new ATOM 0 HA SER B 75 6.924 -3.083 6.044 1.00 0.00 H new ATOM 0 HB2 SER B 75 8.455 -3.890 8.558 1.00 0.00 H new ATOM 0 HB3 SER B 75 7.300 -4.878 7.686 1.00 0.00 H new ATOM 0 HG SER B 75 9.495 -5.372 7.102 1.00 0.00 H new ATOM 1431 N GLU B 76 6.760 -1.677 9.029 1.00 0.00 N ATOM 1432 CA GLU B 76 5.820 -1.105 9.987 1.00 0.00 C ATOM 1433 C GLU B 76 5.091 0.083 9.369 1.00 0.00 C ATOM 1434 O GLU B 76 3.886 0.263 9.560 1.00 0.00 O ATOM 1435 CB GLU B 76 6.549 -0.663 11.256 1.00 0.00 C ATOM 1436 CG GLU B 76 5.633 -0.041 12.296 1.00 0.00 C ATOM 1437 CD GLU B 76 6.385 0.447 13.513 1.00 0.00 C ATOM 1438 OE1 GLU B 76 6.986 1.536 13.444 1.00 0.00 O ATOM 1439 OE2 GLU B 76 6.377 -0.257 14.548 1.00 0.00 O1- ATOM 0 H GLU B 76 7.743 -1.553 9.273 1.00 0.00 H new ATOM 0 HA GLU B 76 5.091 -1.872 10.250 1.00 0.00 H new ATOM 0 HB2 GLU B 76 7.052 -1.525 11.695 1.00 0.00 H new ATOM 0 HB3 GLU B 76 7.323 0.056 10.989 1.00 0.00 H new ATOM 0 HG2 GLU B 76 5.094 0.793 11.848 1.00 0.00 H new ATOM 0 HG3 GLU B 76 4.887 -0.774 12.604 1.00 0.00 H new ATOM 1446 N THR B 77 5.831 0.875 8.604 1.00 0.00 N ATOM 1447 CA THR B 77 5.288 2.068 7.980 1.00 0.00 C ATOM 1448 C THR B 77 4.209 1.683 6.968 1.00 0.00 C ATOM 1449 O THR B 77 3.187 2.358 6.840 1.00 0.00 O ATOM 1450 CB THR B 77 6.405 2.855 7.266 1.00 0.00 C ATOM 1451 OG1 THR B 77 7.638 2.699 7.981 1.00 0.00 O ATOM 1452 CG2 THR B 77 6.062 4.335 7.170 1.00 0.00 C ATOM 0 H THR B 77 6.817 0.708 8.401 1.00 0.00 H new ATOM 0 HA THR B 77 4.850 2.696 8.756 1.00 0.00 H new ATOM 0 HB THR B 77 6.506 2.458 6.256 1.00 0.00 H new ATOM 0 HG1 THR B 77 8.253 3.422 7.735 1.00 0.00 H new ATOM 0 HG21 THR B 77 6.869 4.863 6.662 1.00 0.00 H new ATOM 0 HG22 THR B 77 5.137 4.458 6.607 1.00 0.00 H new ATOM 0 HG23 THR B 77 5.935 4.745 8.172 1.00 0.00 H new ATOM 1460 N ALA B 78 4.451 0.575 6.277 1.00 0.00 N ATOM 1461 CA ALA B 78 3.522 0.041 5.291 1.00 0.00 C ATOM 1462 C ALA B 78 2.153 -0.206 5.905 1.00 0.00 C ATOM 1463 O ALA B 78 1.145 0.288 5.408 1.00 0.00 O ATOM 1464 CB ALA B 78 4.082 -1.246 4.707 1.00 0.00 C ATOM 0 H ALA B 78 5.300 0.021 6.386 1.00 0.00 H new ATOM 0 HA ALA B 78 3.401 0.775 4.495 1.00 0.00 H new ATOM 0 HB1 ALA B 78 3.385 -1.644 3.969 1.00 0.00 H new ATOM 0 HB2 ALA B 78 5.040 -1.042 4.228 1.00 0.00 H new ATOM 0 HB3 ALA B 78 4.223 -1.976 5.504 1.00 0.00 H new ATOM 1470 N GLY B 79 2.127 -0.954 7.002 1.00 0.00 N ATOM 1471 CA GLY B 79 0.876 -1.233 7.679 1.00 0.00 C ATOM 1472 C GLY B 79 0.224 0.028 8.208 1.00 0.00 C ATOM 1473 O GLY B 79 -1.000 0.167 8.169 1.00 0.00 O ATOM 0 H GLY B 79 2.951 -1.372 7.434 1.00 0.00 H new ATOM 0 HA2 GLY B 79 0.194 -1.732 6.990 1.00 0.00 H new ATOM 0 HA3 GLY B 79 1.056 -1.922 8.504 1.00 0.00 H new ATOM 1477 N THR B 80 1.053 0.954 8.673 1.00 0.00 N ATOM 1478 CA THR B 80 0.580 2.211 9.238 1.00 0.00 C ATOM 1479 C THR B 80 -0.230 3.018 8.218 1.00 0.00 C ATOM 1480 O THR B 80 -1.282 3.565 8.546 1.00 0.00 O ATOM 1481 CB THR B 80 1.765 3.056 9.753 1.00 0.00 C ATOM 1482 OG1 THR B 80 2.531 2.292 10.695 1.00 0.00 O ATOM 1483 CG2 THR B 80 1.283 4.338 10.417 1.00 0.00 C ATOM 0 H THR B 80 2.068 0.855 8.669 1.00 0.00 H new ATOM 0 HA THR B 80 -0.075 1.966 10.074 1.00 0.00 H new ATOM 0 HB THR B 80 2.385 3.324 8.897 1.00 0.00 H new ATOM 0 HG1 THR B 80 3.120 1.675 10.213 1.00 0.00 H new ATOM 0 HG21 THR B 80 2.141 4.910 10.769 1.00 0.00 H new ATOM 0 HG22 THR B 80 0.721 4.932 9.696 1.00 0.00 H new ATOM 0 HG23 THR B 80 0.641 4.091 11.262 1.00 0.00 H new ATOM 1491 N TRP B 81 0.243 3.076 6.981 1.00 0.00 N ATOM 1492 CA TRP B 81 -0.460 3.825 5.946 1.00 0.00 C ATOM 1493 C TRP B 81 -1.467 2.943 5.219 1.00 0.00 C ATOM 1494 O TRP B 81 -2.492 3.428 4.736 1.00 0.00 O ATOM 1495 CB TRP B 81 0.534 4.441 4.962 1.00 0.00 C ATOM 1496 CG TRP B 81 1.422 5.456 5.609 1.00 0.00 C ATOM 1497 CD1 TRP B 81 2.730 5.303 5.959 1.00 0.00 C ATOM 1498 CD2 TRP B 81 1.053 6.780 6.000 1.00 0.00 C ATOM 1499 NE1 TRP B 81 3.196 6.453 6.548 1.00 0.00 N ATOM 1500 CE2 TRP B 81 2.184 7.375 6.581 1.00 0.00 C ATOM 1501 CE3 TRP B 81 -0.128 7.520 5.913 1.00 0.00 C ATOM 1502 CZ2 TRP B 81 2.170 8.676 7.071 1.00 0.00 C ATOM 1503 CZ3 TRP B 81 -0.140 8.812 6.399 1.00 0.00 C ATOM 1504 CH2 TRP B 81 1.002 9.378 6.973 1.00 0.00 C ATOM 0 H TRP B 81 1.101 2.619 6.671 1.00 0.00 H new ATOM 0 HA TRP B 81 -1.012 4.632 6.428 1.00 0.00 H new ATOM 0 HB2 TRP B 81 1.146 3.652 4.526 1.00 0.00 H new ATOM 0 HB3 TRP B 81 -0.012 4.909 4.143 1.00 0.00 H new ATOM 0 HD1 TRP B 81 3.314 4.409 5.797 1.00 0.00 H new ATOM 0 HE1 TRP B 81 4.141 6.597 6.903 1.00 0.00 H new ATOM 0 HE3 TRP B 81 -1.016 7.089 5.474 1.00 0.00 H new ATOM 0 HZ2 TRP B 81 3.051 9.116 7.514 1.00 0.00 H new ATOM 0 HZ3 TRP B 81 -1.047 9.395 6.335 1.00 0.00 H new ATOM 0 HH2 TRP B 81 0.960 10.390 7.346 1.00 0.00 H new ATOM 1515 N GLY B 82 -1.181 1.649 5.157 1.00 0.00 N ATOM 1516 CA GLY B 82 -2.101 0.710 4.547 1.00 0.00 C ATOM 1517 C GLY B 82 -3.441 0.693 5.250 1.00 0.00 C ATOM 1518 O GLY B 82 -4.490 0.673 4.606 1.00 0.00 O ATOM 0 H GLY B 82 -0.324 1.232 5.520 1.00 0.00 H new ATOM 0 HA2 GLY B 82 -2.245 0.972 3.499 1.00 0.00 H new ATOM 0 HA3 GLY B 82 -1.667 -0.290 4.569 1.00 0.00 H new ATOM 1522 N ARG B 83 -3.404 0.723 6.578 1.00 0.00 N ATOM 1523 CA ARG B 83 -4.624 0.755 7.372 1.00 0.00 C ATOM 1524 C ARG B 83 -5.356 2.081 7.172 1.00 0.00 C ATOM 1525 O ARG B 83 -6.583 2.120 7.156 1.00 0.00 O ATOM 1526 CB ARG B 83 -4.314 0.536 8.855 1.00 0.00 C ATOM 1527 CG ARG B 83 -3.476 1.637 9.477 1.00 0.00 C ATOM 1528 CD ARG B 83 -3.173 1.351 10.935 1.00 0.00 C ATOM 1529 NE ARG B 83 -4.387 1.265 11.736 1.00 0.00 N ATOM 1530 CZ ARG B 83 -4.410 0.900 13.015 1.00 0.00 C ATOM 1531 NH1 ARG B 83 -3.278 0.617 13.650 1.00 0.00 N1+ ATOM 1532 NH2 ARG B 83 -5.566 0.831 13.660 1.00 0.00 N ATOM 0 H ARG B 83 -2.543 0.726 7.125 1.00 0.00 H new ATOM 0 HA ARG B 83 -5.271 -0.055 7.035 1.00 0.00 H new ATOM 0 HB2 ARG B 83 -5.252 0.453 9.404 1.00 0.00 H new ATOM 0 HB3 ARG B 83 -3.792 -0.414 8.971 1.00 0.00 H new ATOM 0 HG2 ARG B 83 -2.542 1.741 8.924 1.00 0.00 H new ATOM 0 HG3 ARG B 83 -4.003 2.587 9.394 1.00 0.00 H new ATOM 0 HD2 ARG B 83 -2.619 0.416 11.014 1.00 0.00 H new ATOM 0 HD3 ARG B 83 -2.530 2.136 11.333 1.00 0.00 H new ATOM 0 HE ARG B 83 -5.273 1.499 11.289 1.00 0.00 H new ATOM 0 HH11 ARG B 83 -2.387 0.679 13.157 1.00 0.00 H new ATOM 0 HH12 ARG B 83 -3.300 0.337 14.631 1.00 0.00 H new ATOM 0 HH21 ARG B 83 -6.435 1.057 13.176 1.00 0.00 H new ATOM 0 HH22 ARG B 83 -5.587 0.551 14.641 1.00 0.00 H new ATOM 1546 N SER B 84 -4.593 3.160 7.001 1.00 0.00 N ATOM 1547 CA SER B 84 -5.167 4.473 6.754 1.00 0.00 C ATOM 1548 C SER B 84 -5.902 4.480 5.419 1.00 0.00 C ATOM 1549 O SER B 84 -6.967 5.083 5.284 1.00 0.00 O ATOM 1550 CB SER B 84 -4.072 5.537 6.763 1.00 0.00 C ATOM 1551 OG SER B 84 -3.362 5.519 7.988 1.00 0.00 O ATOM 0 H SER B 84 -3.574 3.146 7.030 1.00 0.00 H new ATOM 0 HA SER B 84 -5.880 4.701 7.547 1.00 0.00 H new ATOM 0 HB2 SER B 84 -3.383 5.363 5.936 1.00 0.00 H new ATOM 0 HB3 SER B 84 -4.514 6.521 6.608 1.00 0.00 H new ATOM 0 HG SER B 84 -2.721 4.778 7.984 1.00 0.00 H new ATOM 1557 N LEU B 85 -5.328 3.799 4.435 1.00 0.00 N ATOM 1558 CA LEU B 85 -5.987 3.622 3.152 1.00 0.00 C ATOM 1559 C LEU B 85 -7.264 2.816 3.337 1.00 0.00 C ATOM 1560 O LEU B 85 -8.328 3.214 2.878 1.00 0.00 O ATOM 1561 CB LEU B 85 -5.060 2.916 2.157 1.00 0.00 C ATOM 1562 CG LEU B 85 -3.848 3.730 1.696 1.00 0.00 C ATOM 1563 CD1 LEU B 85 -2.861 2.842 0.958 1.00 0.00 C ATOM 1564 CD2 LEU B 85 -4.288 4.877 0.799 1.00 0.00 C ATOM 0 H LEU B 85 -4.409 3.362 4.503 1.00 0.00 H new ATOM 0 HA LEU B 85 -6.235 4.605 2.750 1.00 0.00 H new ATOM 0 HB2 LEU B 85 -4.704 1.992 2.612 1.00 0.00 H new ATOM 0 HB3 LEU B 85 -5.643 2.636 1.280 1.00 0.00 H new ATOM 0 HG LEU B 85 -3.357 4.142 2.578 1.00 0.00 H new ATOM 0 HD11 LEU B 85 -2.006 3.437 0.637 1.00 0.00 H new ATOM 0 HD12 LEU B 85 -2.522 2.046 1.621 1.00 0.00 H new ATOM 0 HD13 LEU B 85 -3.347 2.405 0.085 1.00 0.00 H new ATOM 0 HD21 LEU B 85 -3.414 5.445 0.480 1.00 0.00 H new ATOM 0 HD22 LEU B 85 -4.801 4.478 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU B 85 -4.965 5.530 1.350 1.00 0.00 H new ATOM 1576 N GLY B 86 -7.147 1.695 4.042 1.00 0.00 N ATOM 1577 CA GLY B 86 -8.283 0.820 4.266 1.00 0.00 C ATOM 1578 C GLY B 86 -9.459 1.514 4.930 1.00 0.00 C ATOM 1579 O GLY B 86 -10.582 1.461 4.422 1.00 0.00 O ATOM 0 H GLY B 86 -6.276 1.375 4.466 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -8.607 0.406 3.311 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -7.969 -0.019 4.887 1.00 0.00 H new ATOM 1583 N GLU B 87 -9.206 2.179 6.053 1.00 0.00 N ATOM 1584 CA GLU B 87 -10.267 2.845 6.805 1.00 0.00 C ATOM 1585 C GLU B 87 -10.898 3.977 5.993 1.00 0.00 C ATOM 1586 O GLU B 87 -12.063 4.316 6.186 1.00 0.00 O ATOM 1587 CB GLU B 87 -9.733 3.389 8.134 1.00 0.00 C ATOM 1588 CG GLU B 87 -8.627 4.418 7.975 1.00 0.00 C ATOM 1589 CD GLU B 87 -8.183 5.007 9.295 1.00 0.00 C ATOM 1590 OE1 GLU B 87 -8.736 6.045 9.700 1.00 0.00 O ATOM 1591 OE2 GLU B 87 -7.276 4.437 9.932 1.00 0.00 O1- ATOM 0 H GLU B 87 -8.277 2.272 6.463 1.00 0.00 H new ATOM 0 HA GLU B 87 -11.037 2.102 7.012 1.00 0.00 H new ATOM 0 HB2 GLU B 87 -10.557 3.837 8.690 1.00 0.00 H new ATOM 0 HB3 GLU B 87 -9.360 2.558 8.733 1.00 0.00 H new ATOM 0 HG2 GLU B 87 -7.772 3.953 7.483 1.00 0.00 H new ATOM 0 HG3 GLU B 87 -8.973 5.219 7.322 1.00 0.00 H new ATOM 1598 N CYS B 88 -10.120 4.556 5.091 1.00 0.00 N ATOM 1599 CA CYS B 88 -10.603 5.635 4.242 1.00 0.00 C ATOM 1600 C CYS B 88 -11.389 5.081 3.056 1.00 0.00 C ATOM 1601 O CYS B 88 -12.500 5.531 2.766 1.00 0.00 O ATOM 1602 CB CYS B 88 -9.422 6.474 3.749 1.00 0.00 C ATOM 1603 SG CYS B 88 -9.866 7.745 2.517 1.00 0.00 S ATOM 0 H CYS B 88 -9.147 4.295 4.928 1.00 0.00 H new ATOM 0 HA CYS B 88 -11.272 6.266 4.827 1.00 0.00 H new ATOM 0 HB2 CYS B 88 -8.956 6.962 4.605 1.00 0.00 H new ATOM 0 HB3 CYS B 88 -8.675 5.809 3.315 1.00 0.00 H new ATOM 1608 N ILE B 89 -10.816 4.087 2.390 1.00 0.00 N ATOM 1609 CA ILE B 89 -11.416 3.503 1.198 1.00 0.00 C ATOM 1610 C ILE B 89 -12.701 2.757 1.525 1.00 0.00 C ATOM 1611 O ILE B 89 -13.699 2.902 0.825 1.00 0.00 O ATOM 1612 CB ILE B 89 -10.444 2.538 0.497 1.00 0.00 C ATOM 1613 CG1 ILE B 89 -9.227 3.299 -0.027 1.00 0.00 C ATOM 1614 CG2 ILE B 89 -11.149 1.808 -0.635 1.00 0.00 C ATOM 1615 CD1 ILE B 89 -8.113 2.401 -0.508 1.00 0.00 C ATOM 0 H ILE B 89 -9.927 3.665 2.659 1.00 0.00 H new ATOM 0 HA ILE B 89 -11.646 4.332 0.529 1.00 0.00 H new ATOM 0 HB ILE B 89 -10.101 1.799 1.221 1.00 0.00 H new ATOM 0 HG12 ILE B 89 -9.539 3.947 -0.846 1.00 0.00 H new ATOM 0 HG13 ILE B 89 -8.845 3.946 0.763 1.00 0.00 H new ATOM 0 HG21 ILE B 89 -10.449 1.129 -1.122 1.00 0.00 H new ATOM 0 HG22 ILE B 89 -11.988 1.239 -0.234 1.00 0.00 H new ATOM 0 HG23 ILE B 89 -11.517 2.532 -1.362 1.00 0.00 H new ATOM 0 HD11 ILE B 89 -7.283 3.010 -0.865 1.00 0.00 H new ATOM 0 HD12 ILE B 89 -7.773 1.771 0.314 1.00 0.00 H new ATOM 0 HD13 ILE B 89 -8.478 1.772 -1.320 1.00 0.00 H new ATOM 1627 N GLY B 90 -12.678 1.973 2.596 1.00 0.00 N ATOM 1628 CA GLY B 90 -13.845 1.194 2.964 1.00 0.00 C ATOM 1629 C GLY B 90 -15.002 2.093 3.309 1.00 0.00 C ATOM 1630 O GLY B 90 -16.157 1.782 3.035 1.00 0.00 O ATOM 0 H GLY B 90 -11.875 1.863 3.215 1.00 0.00 H new ATOM 0 HA2 GLY B 90 -14.123 0.536 2.140 1.00 0.00 H new ATOM 0 HA3 GLY B 90 -13.608 0.556 3.815 1.00 0.00 H new ATOM 1634 N LYS B 91 -14.664 3.233 3.874 1.00 0.00 N ATOM 1635 CA LYS B 91 -15.605 4.230 4.247 1.00 0.00 C ATOM 1636 C LYS B 91 -16.176 4.915 3.007 1.00 0.00 C ATOM 1637 O LYS B 91 -17.382 5.136 2.903 1.00 0.00 O ATOM 1638 CB LYS B 91 -14.853 5.202 5.133 1.00 0.00 C ATOM 1639 CG LYS B 91 -15.462 6.554 5.175 1.00 0.00 C ATOM 1640 CD LYS B 91 -14.752 7.438 6.175 1.00 0.00 C ATOM 1641 CE LYS B 91 -15.421 8.791 6.293 1.00 0.00 C ATOM 1642 NZ LYS B 91 -14.648 9.711 7.169 1.00 0.00 N1+ ATOM 0 H LYS B 91 -13.698 3.484 4.086 1.00 0.00 H new ATOM 0 HA LYS B 91 -16.458 3.808 4.779 1.00 0.00 H new ATOM 0 HB2 LYS B 91 -14.809 4.800 6.145 1.00 0.00 H new ATOM 0 HB3 LYS B 91 -13.826 5.285 4.778 1.00 0.00 H new ATOM 0 HG2 LYS B 91 -15.416 7.008 4.185 1.00 0.00 H new ATOM 0 HG3 LYS B 91 -16.516 6.474 5.440 1.00 0.00 H new ATOM 0 HD2 LYS B 91 -14.741 6.950 7.150 1.00 0.00 H new ATOM 0 HD3 LYS B 91 -13.713 7.570 5.873 1.00 0.00 H new ATOM 0 HE2 LYS B 91 -15.525 9.233 5.302 1.00 0.00 H new ATOM 0 HE3 LYS B 91 -16.427 8.666 6.694 1.00 0.00 H new ATOM 0 HZ1 LYS B 91 -15.136 10.628 7.226 1.00 0.00 H new ATOM 0 HZ2 LYS B 91 -14.570 9.300 8.121 1.00 0.00 H new ATOM 0 HZ3 LYS B 91 -13.696 9.850 6.773 1.00 0.00 H new ATOM 1656 N ASP B 92 -15.299 5.220 2.056 1.00 0.00 N ATOM 1657 CA ASP B 92 -15.704 5.903 0.834 1.00 0.00 C ATOM 1658 C ASP B 92 -16.510 4.971 -0.059 1.00 0.00 C ATOM 1659 O ASP B 92 -17.537 5.362 -0.617 1.00 0.00 O ATOM 1660 CB ASP B 92 -14.482 6.424 0.077 1.00 0.00 C ATOM 1661 CG ASP B 92 -14.869 7.279 -1.110 1.00 0.00 C ATOM 1662 OD1 ASP B 92 -15.552 8.304 -0.906 1.00 0.00 O ATOM 1663 OD2 ASP B 92 -14.478 6.947 -2.250 1.00 0.00 O1- ATOM 0 H ASP B 92 -14.303 5.005 2.109 1.00 0.00 H new ATOM 0 HA ASP B 92 -16.331 6.750 1.113 1.00 0.00 H new ATOM 0 HB2 ASP B 92 -13.858 7.007 0.755 1.00 0.00 H new ATOM 0 HB3 ASP B 92 -13.881 5.581 -0.265 1.00 0.00 H new ATOM 1668 N PHE B 93 -16.040 3.736 -0.181 1.00 0.00 N ATOM 1669 CA PHE B 93 -16.730 2.717 -0.958 1.00 0.00 C ATOM 1670 C PHE B 93 -18.104 2.440 -0.367 1.00 0.00 C ATOM 1671 O PHE B 93 -19.084 2.256 -1.098 1.00 0.00 O ATOM 1672 CB PHE B 93 -15.910 1.425 -1.000 1.00 0.00 C ATOM 1673 CG PHE B 93 -16.637 0.283 -1.647 1.00 0.00 C ATOM 1674 CD1 PHE B 93 -17.247 -0.694 -0.874 1.00 0.00 C ATOM 1675 CD2 PHE B 93 -16.726 0.196 -3.024 1.00 0.00 C ATOM 1676 CE1 PHE B 93 -17.929 -1.736 -1.467 1.00 0.00 C ATOM 1677 CE2 PHE B 93 -17.404 -0.843 -3.621 1.00 0.00 C ATOM 1678 CZ PHE B 93 -18.007 -1.810 -2.841 1.00 0.00 C ATOM 0 H PHE B 93 -15.175 3.415 0.253 1.00 0.00 H new ATOM 0 HA PHE B 93 -16.851 3.088 -1.976 1.00 0.00 H new ATOM 0 HB2 PHE B 93 -14.982 1.609 -1.541 1.00 0.00 H new ATOM 0 HB3 PHE B 93 -15.636 1.143 0.017 1.00 0.00 H new ATOM 0 HD1 PHE B 93 -17.187 -0.638 0.203 1.00 0.00 H new ATOM 0 HD2 PHE B 93 -16.258 0.951 -3.638 1.00 0.00 H new ATOM 0 HE1 PHE B 93 -18.401 -2.492 -0.856 1.00 0.00 H new ATOM 0 HE2 PHE B 93 -17.464 -0.902 -4.698 1.00 0.00 H new ATOM 0 HZ PHE B 93 -18.540 -2.625 -3.308 1.00 0.00 H new ATOM 1688 N ALA B 94 -18.167 2.407 0.960 1.00 0.00 N ATOM 1689 CA ALA B 94 -19.426 2.228 1.656 1.00 0.00 C ATOM 1690 C ALA B 94 -20.405 3.314 1.242 1.00 0.00 C ATOM 1691 O ALA B 94 -21.517 3.023 0.818 1.00 0.00 O ATOM 1692 CB ALA B 94 -19.216 2.242 3.162 1.00 0.00 C ATOM 0 H ALA B 94 -17.356 2.503 1.572 1.00 0.00 H new ATOM 0 HA ALA B 94 -19.841 1.258 1.384 1.00 0.00 H new ATOM 0 HB1 ALA B 94 -20.174 2.106 3.664 1.00 0.00 H new ATOM 0 HB2 ALA B 94 -18.541 1.433 3.443 1.00 0.00 H new ATOM 0 HB3 ALA B 94 -18.782 3.197 3.460 1.00 0.00 H new ATOM 1698 N GLU B 95 -19.966 4.564 1.324 1.00 0.00 N ATOM 1699 CA GLU B 95 -20.803 5.692 0.944 1.00 0.00 C ATOM 1700 C GLU B 95 -21.145 5.665 -0.542 1.00 0.00 C ATOM 1701 O GLU B 95 -22.197 6.160 -0.950 1.00 0.00 O ATOM 1702 CB GLU B 95 -20.120 7.006 1.293 1.00 0.00 C ATOM 1703 CG GLU B 95 -19.913 7.192 2.781 1.00 0.00 C ATOM 1704 CD GLU B 95 -19.486 8.601 3.125 1.00 0.00 C ATOM 1705 OE1 GLU B 95 -20.345 9.506 3.096 1.00 0.00 O ATOM 1706 OE2 GLU B 95 -18.296 8.815 3.437 1.00 0.00 O1- ATOM 0 H GLU B 95 -19.034 4.821 1.651 1.00 0.00 H new ATOM 0 HA GLU B 95 -21.733 5.610 1.507 1.00 0.00 H new ATOM 0 HB2 GLU B 95 -19.154 7.051 0.790 1.00 0.00 H new ATOM 0 HB3 GLU B 95 -20.718 7.832 0.910 1.00 0.00 H new ATOM 0 HG2 GLU B 95 -20.838 6.955 3.307 1.00 0.00 H new ATOM 0 HG3 GLU B 95 -19.158 6.489 3.132 1.00 0.00 H new ATOM 1713 N LYS B 96 -20.251 5.095 -1.345 1.00 0.00 N ATOM 1714 CA LYS B 96 -20.480 4.976 -2.778 1.00 0.00 C ATOM 1715 C LYS B 96 -21.679 4.089 -3.079 1.00 0.00 C ATOM 1716 O LYS B 96 -22.708 4.564 -3.548 1.00 0.00 O ATOM 1717 CB LYS B 96 -19.254 4.400 -3.497 1.00 0.00 C ATOM 1718 CG LYS B 96 -18.148 5.402 -3.772 1.00 0.00 C ATOM 1719 CD LYS B 96 -17.028 4.769 -4.590 1.00 0.00 C ATOM 1720 CE LYS B 96 -15.995 5.797 -5.013 1.00 0.00 C ATOM 1721 NZ LYS B 96 -16.583 6.839 -5.895 1.00 0.00 N1+ ATOM 0 H LYS B 96 -19.362 4.709 -1.026 1.00 0.00 H new ATOM 0 HA LYS B 96 -20.674 5.985 -3.143 1.00 0.00 H new ATOM 0 HB2 LYS B 96 -18.847 3.587 -2.896 1.00 0.00 H new ATOM 0 HB3 LYS B 96 -19.576 3.967 -4.444 1.00 0.00 H new ATOM 0 HG2 LYS B 96 -18.555 6.260 -4.308 1.00 0.00 H new ATOM 0 HG3 LYS B 96 -17.748 5.776 -2.829 1.00 0.00 H new ATOM 0 HD2 LYS B 96 -16.545 3.988 -4.003 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -17.449 4.290 -5.474 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -15.568 6.269 -4.128 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -15.178 5.298 -5.534 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -15.822 7.334 -6.403 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -17.224 6.392 -6.581 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -17.115 7.522 -5.319 1.00 0.00 H new ATOM 1735 N HIS B 97 -21.541 2.796 -2.812 1.00 0.00 N ATOM 1736 CA HIS B 97 -22.538 1.831 -3.257 1.00 0.00 C ATOM 1737 C HIS B 97 -23.339 1.222 -2.113 1.00 0.00 C ATOM 1738 O HIS B 97 -24.539 0.998 -2.258 1.00 0.00 O ATOM 1739 CB HIS B 97 -21.878 0.723 -4.075 1.00 0.00 C ATOM 1740 CG HIS B 97 -21.390 1.179 -5.416 1.00 0.00 C ATOM 1741 ND1 HIS B 97 -22.119 1.029 -6.574 1.00 0.00 N ATOM 1742 CD2 HIS B 97 -20.240 1.792 -5.776 1.00 0.00 C ATOM 1743 CE1 HIS B 97 -21.438 1.533 -7.587 1.00 0.00 C ATOM 1744 NE2 HIS B 97 -20.294 2.004 -7.130 1.00 0.00 N ATOM 0 H HIS B 97 -20.758 2.395 -2.296 1.00 0.00 H new ATOM 0 HA HIS B 97 -23.243 2.383 -3.878 1.00 0.00 H new ATOM 0 HB2 HIS B 97 -21.039 0.317 -3.511 1.00 0.00 H new ATOM 0 HB3 HIS B 97 -22.592 -0.089 -4.214 1.00 0.00 H new ATOM 0 HD2 HIS B 97 -19.428 2.065 -5.118 1.00 0.00 H new ATOM 0 HE1 HIS B 97 -21.763 1.556 -8.617 1.00 0.00 H new ATOM 0 HE2 HIS B 97 -19.569 2.452 -7.691 1.00 0.00 H new ATOM 1753 N LEU B 98 -22.691 0.946 -0.988 1.00 0.00 N ATOM 1754 CA LEU B 98 -23.373 0.271 0.113 1.00 0.00 C ATOM 1755 C LEU B 98 -24.400 1.194 0.758 1.00 0.00 C ATOM 1756 O LEU B 98 -25.455 0.750 1.208 1.00 0.00 O ATOM 1757 CB LEU B 98 -22.369 -0.211 1.161 1.00 0.00 C ATOM 1758 CG LEU B 98 -21.307 -1.190 0.651 1.00 0.00 C ATOM 1759 CD1 LEU B 98 -20.471 -1.706 1.808 1.00 0.00 C ATOM 1760 CD2 LEU B 98 -21.948 -2.349 -0.099 1.00 0.00 C ATOM 0 H LEU B 98 -21.712 1.173 -0.813 1.00 0.00 H new ATOM 0 HA LEU B 98 -23.891 -0.596 -0.296 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -21.865 0.658 1.583 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -22.918 -0.687 1.973 1.00 0.00 H new ATOM 0 HG LEU B 98 -20.657 -0.657 -0.043 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -19.720 -2.401 1.433 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -19.977 -0.869 2.301 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -21.115 -2.219 2.522 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -21.172 -3.029 -0.450 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -22.625 -2.884 0.568 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -22.507 -1.965 -0.952 1.00 0.00 H new ATOM 1772 N ILE B 99 -24.089 2.479 0.789 1.00 0.00 N ATOM 1773 CA ILE B 99 -25.049 3.484 1.191 1.00 0.00 C ATOM 1774 C ILE B 99 -25.763 4.020 -0.045 1.00 0.00 C ATOM 1775 O ILE B 99 -25.151 4.706 -0.866 1.00 0.00 O ATOM 1776 CB ILE B 99 -24.385 4.656 1.952 1.00 0.00 C ATOM 1777 CG1 ILE B 99 -23.622 4.134 3.176 1.00 0.00 C ATOM 1778 CG2 ILE B 99 -25.432 5.677 2.373 1.00 0.00 C ATOM 1779 CD1 ILE B 99 -23.063 5.226 4.061 1.00 0.00 C ATOM 0 H ILE B 99 -23.172 2.849 0.538 1.00 0.00 H new ATOM 0 HA ILE B 99 -25.760 3.012 1.870 1.00 0.00 H new ATOM 0 HB ILE B 99 -23.675 5.145 1.285 1.00 0.00 H new ATOM 0 HG12 ILE B 99 -24.289 3.506 3.767 1.00 0.00 H new ATOM 0 HG13 ILE B 99 -22.803 3.499 2.838 1.00 0.00 H new ATOM 0 HG21 ILE B 99 -24.948 6.495 2.907 1.00 0.00 H new ATOM 0 HG22 ILE B 99 -25.935 6.068 1.489 1.00 0.00 H new ATOM 0 HG23 ILE B 99 -26.164 5.200 3.025 1.00 0.00 H new ATOM 0 HD11 ILE B 99 -22.538 4.778 4.904 1.00 0.00 H new ATOM 0 HD12 ILE B 99 -22.370 5.840 3.487 1.00 0.00 H new ATOM 0 HD13 ILE B 99 -23.878 5.848 4.431 1.00 0.00 H new