USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 497 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 THR OG1 : rot 61:sc= -4.92! USER MOD Set 1.2: A 80 HIS : no HE2:sc= -13.6! C(o=-19!,f=-13!) USER MOD Set 2.1: A 55 LYS NZ :NH3+ 173:sc= 0.641 (180deg=-0.154) USER MOD Set 2.2: A 64 GLN : amide:sc= 0.329 K(o=0.97,f=-19!) USER MOD Single : A 24 LYS NZ :NH3+ -150:sc= -0.0284 (180deg=-0.429) USER MOD Single : A 33 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.0603) USER MOD Single : A 38 ASN : amide:sc= -3.19! C(o=-3.2!,f=-6.6!) USER MOD Single : A 39 MET CE :methyl -178:sc= -6.98! (180deg=-7.13!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0546 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 134:sc= 0.135 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 131:sc= 1.33 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.077) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.667 K(o=-0.67,f=0.045) USER MOD Single : A 79 SER OG : rot 180:sc= -0.0782 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0907) USER MOD Single : A 86 GLN : amide:sc= -0.246 X(o=-0.25,f=0) USER MOD ----------------------------------------------------------------- ATOM 353 N LEU A 21 0.201 -1.597 -6.683 1.00 0.00 N ATOM 354 CA LEU A 21 0.075 -0.739 -5.471 1.00 0.00 C ATOM 355 C LEU A 21 0.734 0.621 -5.716 1.00 0.00 C ATOM 356 O LEU A 21 1.812 0.707 -6.270 1.00 0.00 O ATOM 357 CB LEU A 21 0.811 -1.501 -4.367 1.00 0.00 C ATOM 358 CG LEU A 21 0.653 -0.759 -3.037 1.00 0.00 C ATOM 359 CD1 LEU A 21 1.533 0.492 -3.040 1.00 0.00 C ATOM 360 CD2 LEU A 21 -0.810 -0.351 -2.849 1.00 0.00 C ATOM 0 HA LEU A 21 -0.965 -0.545 -5.208 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.412 -2.512 -4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.867 -1.596 -4.619 1.00 0.00 H new ATOM 0 HG LEU A 21 0.956 -1.414 -2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.419 1.019 -2.093 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.576 0.203 -3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.232 1.147 -3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.922 0.177 -1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.113 0.302 -3.667 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.438 -1.242 -2.844 1.00 0.00 H new ATOM 372 N ILE A 22 0.096 1.684 -5.309 1.00 0.00 N ATOM 373 CA ILE A 22 0.689 3.036 -5.520 1.00 0.00 C ATOM 374 C ILE A 22 1.129 3.633 -4.181 1.00 0.00 C ATOM 375 O ILE A 22 0.335 3.807 -3.277 1.00 0.00 O ATOM 376 CB ILE A 22 -0.431 3.870 -6.140 1.00 0.00 C ATOM 377 CG1 ILE A 22 -1.720 3.670 -5.338 1.00 0.00 C ATOM 378 CG2 ILE A 22 -0.660 3.425 -7.586 1.00 0.00 C ATOM 379 CD1 ILE A 22 -2.549 4.955 -5.373 1.00 0.00 C ATOM 0 H ILE A 22 -0.810 1.675 -4.840 1.00 0.00 H new ATOM 0 HA ILE A 22 1.572 3.005 -6.159 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.150 4.923 -6.123 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.295 2.843 -5.754 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.482 3.406 -4.307 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.459 4.020 -8.028 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.256 3.565 -8.159 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.941 2.372 -7.602 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.466 4.812 -4.802 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.973 5.771 -4.936 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.799 5.199 -6.406 1.00 0.00 H new ATOM 391 N ALA A 23 2.388 3.946 -4.045 1.00 0.00 N ATOM 392 CA ALA A 23 2.876 4.531 -2.763 1.00 0.00 C ATOM 393 C ALA A 23 3.480 5.916 -3.005 1.00 0.00 C ATOM 394 O ALA A 23 4.213 6.128 -3.950 1.00 0.00 O ATOM 395 CB ALA A 23 3.947 3.558 -2.268 1.00 0.00 C ATOM 0 H ALA A 23 3.100 3.822 -4.765 1.00 0.00 H new ATOM 0 HA ALA A 23 2.073 4.660 -2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.358 3.918 -1.325 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.503 2.574 -2.118 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.744 3.488 -3.008 1.00 0.00 H new ATOM 401 N LYS A 24 3.178 6.861 -2.158 1.00 0.00 N ATOM 402 CA LYS A 24 3.734 8.233 -2.336 1.00 0.00 C ATOM 403 C LYS A 24 4.599 8.611 -1.130 1.00 0.00 C ATOM 404 O LYS A 24 4.250 8.346 0.003 1.00 0.00 O ATOM 405 CB LYS A 24 2.512 9.147 -2.427 1.00 0.00 C ATOM 406 CG LYS A 24 2.113 9.323 -3.893 1.00 0.00 C ATOM 407 CD LYS A 24 3.049 10.334 -4.559 1.00 0.00 C ATOM 408 CE LYS A 24 2.236 11.534 -5.050 1.00 0.00 C ATOM 409 NZ LYS A 24 1.413 11.007 -6.173 1.00 0.00 N ATOM 0 H LYS A 24 2.569 6.742 -1.348 1.00 0.00 H new ATOM 0 HA LYS A 24 4.367 8.312 -3.220 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.683 8.720 -1.862 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.736 10.116 -1.981 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.165 8.366 -4.412 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.081 9.667 -3.961 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.811 10.662 -3.851 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.570 9.868 -5.395 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.608 11.937 -4.256 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.887 12.342 -5.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.237 11.767 -6.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.920 10.228 -6.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.506 10.658 -5.804 1.00 0.00 H new ATOM 423 N VAL A 25 5.726 9.226 -1.364 1.00 0.00 N ATOM 424 CA VAL A 25 6.608 9.617 -0.226 1.00 0.00 C ATOM 425 C VAL A 25 6.305 11.052 0.212 1.00 0.00 C ATOM 426 O VAL A 25 6.280 11.964 -0.590 1.00 0.00 O ATOM 427 CB VAL A 25 8.034 9.509 -0.771 1.00 0.00 C ATOM 428 CG1 VAL A 25 8.177 8.221 -1.582 1.00 0.00 C ATOM 429 CG2 VAL A 25 8.328 10.713 -1.669 1.00 0.00 C ATOM 0 H VAL A 25 6.074 9.474 -2.290 1.00 0.00 H new ATOM 0 HA VAL A 25 6.458 8.982 0.648 1.00 0.00 H new ATOM 0 HB VAL A 25 8.739 9.493 0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.193 8.146 -1.969 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.968 7.363 -0.943 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.472 8.234 -2.413 1.00 0.00 H new ATOM 0 HG21 VAL A 25 9.343 10.637 -2.058 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.622 10.729 -2.499 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.229 11.631 -1.090 1.00 0.00 H new ATOM 439 N GLU A 26 6.073 11.257 1.479 1.00 0.00 N ATOM 440 CA GLU A 26 5.769 12.632 1.971 1.00 0.00 C ATOM 441 C GLU A 26 6.441 12.873 3.326 1.00 0.00 C ATOM 442 O GLU A 26 6.921 11.958 3.963 1.00 0.00 O ATOM 443 CB GLU A 26 4.247 12.672 2.114 1.00 0.00 C ATOM 444 CG GLU A 26 3.747 14.098 1.874 1.00 0.00 C ATOM 445 CD GLU A 26 2.944 14.569 3.087 1.00 0.00 C ATOM 446 OE1 GLU A 26 3.559 14.908 4.085 1.00 0.00 O ATOM 447 OE2 GLU A 26 1.727 14.583 3.000 1.00 0.00 O ATOM 0 H GLU A 26 6.081 10.532 2.196 1.00 0.00 H new ATOM 0 HA GLU A 26 6.137 13.403 1.294 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.786 11.989 1.400 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.956 12.336 3.109 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.591 14.766 1.702 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.126 14.131 0.979 1.00 0.00 H new ATOM 511 N ILE A 32 10.087 11.450 3.008 1.00 0.00 N ATOM 512 CA ILE A 32 10.690 10.105 3.234 1.00 0.00 C ATOM 513 C ILE A 32 9.678 9.185 3.921 1.00 0.00 C ATOM 514 O ILE A 32 9.976 8.055 4.255 1.00 0.00 O ATOM 515 CB ILE A 32 11.904 10.356 4.132 1.00 0.00 C ATOM 516 CG1 ILE A 32 13.149 10.495 3.257 1.00 0.00 C ATOM 517 CG2 ILE A 32 12.095 9.175 5.088 1.00 0.00 C ATOM 518 CD1 ILE A 32 13.298 9.238 2.401 1.00 0.00 C ATOM 0 HA ILE A 32 10.977 9.616 2.303 1.00 0.00 H new ATOM 0 HB ILE A 32 11.746 11.267 4.709 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.066 11.376 2.621 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.033 10.634 3.879 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.960 9.359 5.725 1.00 0.00 H new ATOM 0 HG22 ILE A 32 11.206 9.061 5.708 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.255 8.263 4.513 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.184 9.328 1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 32 13.399 8.367 3.048 1.00 0.00 H new ATOM 0 HD13 ILE A 32 12.417 9.121 1.770 1.00 0.00 H new ATOM 530 N LYS A 33 8.480 9.655 4.127 1.00 0.00 N ATOM 531 CA LYS A 33 7.452 8.802 4.783 1.00 0.00 C ATOM 532 C LYS A 33 6.565 8.166 3.712 1.00 0.00 C ATOM 533 O LYS A 33 6.413 8.698 2.632 1.00 0.00 O ATOM 534 CB LYS A 33 6.642 9.755 5.663 1.00 0.00 C ATOM 535 CG LYS A 33 5.758 8.947 6.613 1.00 0.00 C ATOM 536 CD LYS A 33 4.722 9.872 7.258 1.00 0.00 C ATOM 537 CE LYS A 33 5.438 10.954 8.069 1.00 0.00 C ATOM 538 NZ LYS A 33 5.767 10.305 9.369 1.00 0.00 N ATOM 0 H LYS A 33 8.169 10.592 3.870 1.00 0.00 H new ATOM 0 HA LYS A 33 7.886 7.993 5.370 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.312 10.399 6.233 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.026 10.406 5.042 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.257 8.147 6.068 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.369 8.475 7.383 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.100 10.331 6.489 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.058 9.298 7.904 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.339 11.298 7.560 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.800 11.826 8.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.190 10.728 10.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.566 9.286 9.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.775 10.447 9.583 1.00 0.00 H new ATOM 552 N THR A 34 5.990 7.027 3.983 1.00 0.00 N ATOM 553 CA THR A 34 5.136 6.377 2.944 1.00 0.00 C ATOM 554 C THR A 34 3.654 6.652 3.205 1.00 0.00 C ATOM 555 O THR A 34 3.101 6.227 4.194 1.00 0.00 O ATOM 556 CB THR A 34 5.436 4.883 3.061 1.00 0.00 C ATOM 557 OG1 THR A 34 6.675 4.603 2.424 1.00 0.00 O ATOM 558 CG2 THR A 34 4.323 4.079 2.389 1.00 0.00 C ATOM 0 H THR A 34 6.071 6.522 4.866 1.00 0.00 H new ATOM 0 HA THR A 34 5.349 6.761 1.946 1.00 0.00 H new ATOM 0 HB THR A 34 5.493 4.605 4.113 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.392 5.101 2.870 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.541 3.014 2.475 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.373 4.295 2.877 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.261 4.353 1.336 1.00 0.00 H new ATOM 566 N VAL A 35 3.004 7.351 2.316 1.00 0.00 N ATOM 567 CA VAL A 35 1.553 7.637 2.513 1.00 0.00 C ATOM 568 C VAL A 35 0.729 6.896 1.456 1.00 0.00 C ATOM 569 O VAL A 35 0.862 7.135 0.273 1.00 0.00 O ATOM 570 CB VAL A 35 1.420 9.150 2.341 1.00 0.00 C ATOM 571 CG1 VAL A 35 2.179 9.592 1.087 1.00 0.00 C ATOM 572 CG2 VAL A 35 -0.059 9.517 2.196 1.00 0.00 C ATOM 0 H VAL A 35 3.412 7.736 1.464 1.00 0.00 H new ATOM 0 HA VAL A 35 1.191 7.309 3.487 1.00 0.00 H new ATOM 0 HB VAL A 35 1.838 9.652 3.214 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.083 10.671 0.965 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.232 9.330 1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.762 9.090 0.214 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.156 10.596 2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.475 9.014 1.323 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.601 9.203 3.088 1.00 0.00 H new ATOM 582 N ILE A 36 -0.117 5.996 1.874 1.00 0.00 N ATOM 583 CA ILE A 36 -0.944 5.238 0.892 1.00 0.00 C ATOM 584 C ILE A 36 -2.320 5.892 0.740 1.00 0.00 C ATOM 585 O ILE A 36 -3.142 5.850 1.635 1.00 0.00 O ATOM 586 CB ILE A 36 -1.069 3.834 1.484 1.00 0.00 C ATOM 587 CG1 ILE A 36 0.333 3.283 1.768 1.00 0.00 C ATOM 588 CG2 ILE A 36 -1.783 2.920 0.486 1.00 0.00 C ATOM 589 CD1 ILE A 36 0.223 1.913 2.441 1.00 0.00 C ATOM 0 H ILE A 36 -0.272 5.752 2.852 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.497 5.220 -0.102 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.643 3.876 2.410 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.896 3.198 0.838 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.881 3.972 2.411 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.872 1.919 0.908 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.777 3.315 0.277 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.209 2.873 -0.440 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.222 1.525 2.641 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.323 2.011 3.379 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.308 1.226 1.783 1.00 0.00 H new ATOM 601 N VAL A 37 -2.576 6.499 -0.387 1.00 0.00 N ATOM 602 CA VAL A 37 -3.898 7.158 -0.597 1.00 0.00 C ATOM 603 C VAL A 37 -4.947 6.124 -1.015 1.00 0.00 C ATOM 604 O VAL A 37 -6.135 6.372 -0.958 1.00 0.00 O ATOM 605 CB VAL A 37 -3.663 8.167 -1.721 1.00 0.00 C ATOM 606 CG1 VAL A 37 -3.080 7.450 -2.939 1.00 0.00 C ATOM 607 CG2 VAL A 37 -4.993 8.821 -2.104 1.00 0.00 C ATOM 0 H VAL A 37 -1.928 6.567 -1.171 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.269 7.636 0.310 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.964 8.932 -1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.913 8.170 -3.740 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.133 6.983 -2.668 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.778 6.685 -3.279 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.827 9.541 -2.905 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.691 8.055 -2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.410 9.333 -1.237 1.00 0.00 H new ATOM 617 N ASN A 38 -4.518 4.964 -1.434 1.00 0.00 N ATOM 618 CA ASN A 38 -5.493 3.918 -1.855 1.00 0.00 C ATOM 619 C ASN A 38 -5.734 2.928 -0.711 1.00 0.00 C ATOM 620 O ASN A 38 -6.461 1.966 -0.852 1.00 0.00 O ATOM 621 CB ASN A 38 -4.832 3.215 -3.041 1.00 0.00 C ATOM 622 CG ASN A 38 -3.530 2.555 -2.585 1.00 0.00 C ATOM 623 OD1 ASN A 38 -2.508 3.205 -2.488 1.00 0.00 O ATOM 624 ND2 ASN A 38 -3.523 1.282 -2.297 1.00 0.00 N ATOM 0 H ASN A 38 -3.536 4.696 -1.503 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.463 4.340 -2.120 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.506 2.465 -3.454 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.629 3.933 -3.835 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -2.660 0.833 -1.991 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.381 0.736 -2.378 1.00 0.00 H new ATOM 631 N MET A 39 -5.128 3.160 0.423 1.00 0.00 N ATOM 632 CA MET A 39 -5.324 2.232 1.574 1.00 0.00 C ATOM 633 C MET A 39 -6.814 2.097 1.896 1.00 0.00 C ATOM 634 O MET A 39 -7.278 1.053 2.309 1.00 0.00 O ATOM 635 CB MET A 39 -4.581 2.886 2.740 1.00 0.00 C ATOM 636 CG MET A 39 -4.347 1.850 3.841 1.00 0.00 C ATOM 637 SD MET A 39 -2.569 1.655 4.118 1.00 0.00 S ATOM 638 CE MET A 39 -2.292 0.345 2.901 1.00 0.00 C ATOM 0 H MET A 39 -4.508 3.950 0.602 1.00 0.00 H new ATOM 0 HA MET A 39 -4.952 1.229 1.364 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.628 3.290 2.397 1.00 0.00 H new ATOM 0 HB3 MET A 39 -5.160 3.723 3.130 1.00 0.00 H new ATOM 0 HG2 MET A 39 -4.837 2.166 4.762 1.00 0.00 H new ATOM 0 HG3 MET A 39 -4.788 0.895 3.556 1.00 0.00 H new ATOM 0 HE1 MET A 39 -1.246 0.039 2.927 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.926 -0.510 3.136 1.00 0.00 H new ATOM 0 HE3 MET A 39 -2.537 0.715 1.906 1.00 0.00 H new ATOM 648 N VAL A 40 -7.568 3.146 1.711 1.00 0.00 N ATOM 649 CA VAL A 40 -9.027 3.078 2.007 1.00 0.00 C ATOM 650 C VAL A 40 -9.729 2.159 1.003 1.00 0.00 C ATOM 651 O VAL A 40 -10.551 1.340 1.366 1.00 0.00 O ATOM 652 CB VAL A 40 -9.528 4.514 1.859 1.00 0.00 C ATOM 653 CG1 VAL A 40 -10.975 4.605 2.345 1.00 0.00 C ATOM 654 CG2 VAL A 40 -8.651 5.448 2.696 1.00 0.00 C ATOM 0 H VAL A 40 -7.237 4.047 1.368 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.228 2.676 3.000 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.479 4.808 0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.331 5.630 2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.601 3.940 1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.026 4.310 3.393 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.007 6.473 2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.701 5.152 3.744 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.619 5.386 2.350 1.00 0.00 H new ATOM 664 N ASP A 41 -9.412 2.288 -0.256 1.00 0.00 N ATOM 665 CA ASP A 41 -10.061 1.422 -1.281 1.00 0.00 C ATOM 666 C ASP A 41 -9.647 -0.039 -1.081 1.00 0.00 C ATOM 667 O ASP A 41 -10.472 -0.932 -1.064 1.00 0.00 O ATOM 668 CB ASP A 41 -9.550 1.945 -2.623 1.00 0.00 C ATOM 669 CG ASP A 41 -10.627 1.751 -3.692 1.00 0.00 C ATOM 670 OD1 ASP A 41 -11.782 1.612 -3.322 1.00 0.00 O ATOM 671 OD2 ASP A 41 -10.280 1.744 -4.862 1.00 0.00 O ATOM 0 H ASP A 41 -8.732 2.956 -0.619 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.149 1.454 -1.218 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.292 3.001 -2.539 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -8.640 1.417 -2.908 1.00 0.00 H new ATOM 676 N VAL A 42 -8.376 -0.290 -0.929 1.00 0.00 N ATOM 677 CA VAL A 42 -7.911 -1.692 -0.730 1.00 0.00 C ATOM 678 C VAL A 42 -8.523 -2.277 0.546 1.00 0.00 C ATOM 679 O VAL A 42 -8.939 -3.418 0.580 1.00 0.00 O ATOM 680 CB VAL A 42 -6.391 -1.591 -0.597 1.00 0.00 C ATOM 681 CG1 VAL A 42 -6.041 -0.697 0.594 1.00 0.00 C ATOM 682 CG2 VAL A 42 -5.806 -2.987 -0.374 1.00 0.00 C ATOM 0 H VAL A 42 -7.639 0.415 -0.934 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.206 -2.345 -1.552 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.974 -1.162 -1.508 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.958 -0.625 0.689 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.458 0.298 0.437 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.457 -1.126 1.506 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.722 -2.917 -0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.223 -3.415 0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.055 -3.626 -1.222 1.00 0.00 H new ATOM 692 N ALA A 43 -8.583 -1.503 1.595 1.00 0.00 N ATOM 693 CA ALA A 43 -9.170 -2.015 2.866 1.00 0.00 C ATOM 694 C ALA A 43 -10.633 -2.399 2.649 1.00 0.00 C ATOM 695 O ALA A 43 -11.130 -3.347 3.226 1.00 0.00 O ATOM 696 CB ALA A 43 -9.060 -0.851 3.851 1.00 0.00 C ATOM 0 H ALA A 43 -8.251 -0.539 1.627 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.657 -2.905 3.231 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -9.473 -1.150 4.815 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.012 -0.576 3.974 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.616 0.004 3.467 1.00 0.00 H new ATOM 702 N LYS A 44 -11.325 -1.671 1.820 1.00 0.00 N ATOM 703 CA LYS A 44 -12.757 -1.993 1.558 1.00 0.00 C ATOM 704 C LYS A 44 -12.877 -3.411 0.998 1.00 0.00 C ATOM 705 O LYS A 44 -13.803 -4.136 1.307 1.00 0.00 O ATOM 706 CB LYS A 44 -13.213 -0.964 0.523 1.00 0.00 C ATOM 707 CG LYS A 44 -13.463 0.378 1.212 1.00 0.00 C ATOM 708 CD LYS A 44 -14.969 0.604 1.360 1.00 0.00 C ATOM 709 CE LYS A 44 -15.583 0.862 -0.018 1.00 0.00 C ATOM 710 NZ LYS A 44 -16.905 0.177 0.018 1.00 0.00 N ATOM 0 H LYS A 44 -10.962 -0.865 1.311 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.365 -1.953 2.462 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.454 -0.851 -0.252 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.123 -1.307 0.030 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -12.985 0.390 2.191 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.019 1.186 0.630 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.435 -0.267 1.820 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.158 1.452 2.019 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.696 1.930 -0.207 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.953 0.463 -0.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.389 0.308 -0.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.765 -0.839 0.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.485 0.583 0.780 1.00 0.00 H new ATOM 724 N ALA A 45 -11.946 -3.813 0.178 1.00 0.00 N ATOM 725 CA ALA A 45 -12.004 -5.186 -0.400 1.00 0.00 C ATOM 726 C ALA A 45 -11.718 -6.223 0.688 1.00 0.00 C ATOM 727 O ALA A 45 -12.051 -7.385 0.557 1.00 0.00 O ATOM 728 CB ALA A 45 -10.911 -5.214 -1.468 1.00 0.00 C ATOM 0 H ALA A 45 -11.148 -3.251 -0.117 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.984 -5.420 -0.817 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.890 -6.196 -1.941 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.118 -4.453 -2.220 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.945 -5.014 -1.005 1.00 0.00 H new ATOM 734 N LEU A 46 -11.104 -5.811 1.764 1.00 0.00 N ATOM 735 CA LEU A 46 -10.798 -6.773 2.864 1.00 0.00 C ATOM 736 C LEU A 46 -11.890 -6.687 3.924 1.00 0.00 C ATOM 737 O LEU A 46 -11.954 -7.485 4.840 1.00 0.00 O ATOM 738 CB LEU A 46 -9.452 -6.327 3.450 1.00 0.00 C ATOM 739 CG LEU A 46 -8.681 -5.479 2.433 1.00 0.00 C ATOM 740 CD1 LEU A 46 -7.204 -5.433 2.825 1.00 0.00 C ATOM 741 CD2 LEU A 46 -8.818 -6.098 1.040 1.00 0.00 C ATOM 0 H LEU A 46 -10.801 -4.851 1.930 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.752 -7.803 2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.617 -5.752 4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.861 -7.200 3.727 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.088 -4.468 2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.654 -4.830 2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.104 -4.991 3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.799 -6.445 2.836 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.269 -5.494 0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.412 -7.110 1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.871 -6.132 0.759 1.00 0.00 H new ATOM 753 N ASN A 47 -12.751 -5.717 3.800 1.00 0.00 N ATOM 754 CA ASN A 47 -13.859 -5.552 4.789 1.00 0.00 C ATOM 755 C ASN A 47 -13.319 -4.988 6.107 1.00 0.00 C ATOM 756 O ASN A 47 -13.840 -4.028 6.639 1.00 0.00 O ATOM 757 CB ASN A 47 -14.425 -6.958 4.999 1.00 0.00 C ATOM 758 CG ASN A 47 -15.953 -6.904 4.954 1.00 0.00 C ATOM 759 OD1 ASN A 47 -16.595 -6.700 5.964 1.00 0.00 O ATOM 760 ND2 ASN A 47 -16.566 -7.079 3.815 1.00 0.00 N ATOM 0 H ASN A 47 -12.737 -5.025 3.051 1.00 0.00 H new ATOM 0 HA ASN A 47 -14.621 -4.857 4.436 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -14.051 -7.631 4.227 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -14.092 -7.356 5.958 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -17.585 -7.044 3.773 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -16.026 -7.250 2.967 1.00 0.00 H new ATOM 767 N ARG A 48 -12.282 -5.575 6.639 1.00 0.00 N ATOM 768 CA ARG A 48 -11.717 -5.067 7.923 1.00 0.00 C ATOM 769 C ARG A 48 -10.893 -3.802 7.674 1.00 0.00 C ATOM 770 O ARG A 48 -10.593 -3.467 6.545 1.00 0.00 O ATOM 771 CB ARG A 48 -10.823 -6.196 8.437 1.00 0.00 C ATOM 772 CG ARG A 48 -11.677 -7.227 9.179 1.00 0.00 C ATOM 773 CD ARG A 48 -10.904 -8.542 9.297 1.00 0.00 C ATOM 774 NE ARG A 48 -11.383 -9.156 10.566 1.00 0.00 N ATOM 775 CZ ARG A 48 -12.275 -10.109 10.533 1.00 0.00 C ATOM 776 NH1 ARG A 48 -12.106 -11.134 9.745 1.00 0.00 N ATOM 777 NH2 ARG A 48 -13.336 -10.034 11.290 1.00 0.00 N ATOM 0 H ARG A 48 -11.802 -6.383 6.242 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.494 -4.804 8.640 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.303 -6.670 7.604 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.059 -5.795 9.103 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.935 -6.855 10.170 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.614 -7.390 8.646 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.100 -9.193 8.445 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -9.829 -8.367 9.324 1.00 0.00 H new ATOM 0 HE ARG A 48 -11.015 -8.832 11.460 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -11.277 -11.192 9.154 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -12.803 -11.878 9.720 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -13.467 -9.232 11.906 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -14.034 -10.778 11.265 1.00 0.00 H new ATOM 791 N PRO A 49 -10.556 -3.137 8.746 1.00 0.00 N ATOM 792 CA PRO A 49 -9.759 -1.889 8.652 1.00 0.00 C ATOM 793 C PRO A 49 -8.308 -2.209 8.281 1.00 0.00 C ATOM 794 O PRO A 49 -7.742 -3.172 8.758 1.00 0.00 O ATOM 795 CB PRO A 49 -9.846 -1.303 10.058 1.00 0.00 C ATOM 796 CG PRO A 49 -10.118 -2.473 10.949 1.00 0.00 C ATOM 797 CD PRO A 49 -10.883 -3.482 10.133 1.00 0.00 C ATOM 0 HA PRO A 49 -10.123 -1.203 7.887 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.918 -0.803 10.335 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.641 -0.561 10.128 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.186 -2.902 11.317 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -10.694 -2.167 11.822 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.580 -4.501 10.373 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.955 -3.416 10.319 1.00 0.00 H new ATOM 805 N PRO A 50 -7.756 -1.381 7.438 1.00 0.00 N ATOM 806 CA PRO A 50 -6.355 -1.567 6.990 1.00 0.00 C ATOM 807 C PRO A 50 -5.380 -1.192 8.108 1.00 0.00 C ATOM 808 O PRO A 50 -4.213 -1.526 8.067 1.00 0.00 O ATOM 809 CB PRO A 50 -6.225 -0.605 5.812 1.00 0.00 C ATOM 810 CG PRO A 50 -7.261 0.447 6.054 1.00 0.00 C ATOM 811 CD PRO A 50 -8.381 -0.203 6.827 1.00 0.00 C ATOM 0 HA PRO A 50 -6.126 -2.598 6.721 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -5.226 -0.172 5.765 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.396 -1.116 4.865 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -6.839 1.281 6.615 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -7.628 0.851 5.110 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -8.787 0.470 7.582 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.207 -0.484 6.173 1.00 0.00 H new ATOM 819 N THR A 51 -5.849 -0.499 9.109 1.00 0.00 N ATOM 820 CA THR A 51 -4.948 -0.101 10.229 1.00 0.00 C ATOM 821 C THR A 51 -4.435 -1.342 10.968 1.00 0.00 C ATOM 822 O THR A 51 -3.374 -1.327 11.560 1.00 0.00 O ATOM 823 CB THR A 51 -5.820 0.753 11.151 1.00 0.00 C ATOM 824 OG1 THR A 51 -6.921 -0.021 11.609 1.00 0.00 O ATOM 825 CG2 THR A 51 -6.333 1.973 10.385 1.00 0.00 C ATOM 0 H THR A 51 -6.817 -0.191 9.200 1.00 0.00 H new ATOM 0 HA THR A 51 -4.069 0.441 9.879 1.00 0.00 H new ATOM 0 HB THR A 51 -5.230 1.086 12.005 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.480 0.524 12.201 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.954 2.581 11.043 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.487 2.565 10.035 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.924 1.644 9.530 1.00 0.00 H new ATOM 833 N TYR A 52 -5.181 -2.413 10.944 1.00 0.00 N ATOM 834 CA TYR A 52 -4.734 -3.648 11.651 1.00 0.00 C ATOM 835 C TYR A 52 -3.633 -4.359 10.854 1.00 0.00 C ATOM 836 O TYR A 52 -2.567 -4.623 11.374 1.00 0.00 O ATOM 837 CB TYR A 52 -5.981 -4.527 11.743 1.00 0.00 C ATOM 838 CG TYR A 52 -6.154 -5.009 13.163 1.00 0.00 C ATOM 839 CD1 TYR A 52 -6.672 -4.148 14.138 1.00 0.00 C ATOM 840 CD2 TYR A 52 -5.795 -6.319 13.507 1.00 0.00 C ATOM 841 CE1 TYR A 52 -6.831 -4.595 15.455 1.00 0.00 C ATOM 842 CE2 TYR A 52 -5.956 -6.766 14.824 1.00 0.00 C ATOM 843 CZ TYR A 52 -6.473 -5.905 15.797 1.00 0.00 C ATOM 844 OH TYR A 52 -6.630 -6.346 17.096 1.00 0.00 O ATOM 0 H TYR A 52 -6.079 -2.487 10.466 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.316 -3.426 12.633 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.860 -3.964 11.429 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.890 -5.378 11.068 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.949 -3.138 13.874 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.394 -6.984 12.756 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.230 -3.930 16.207 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.681 -7.776 15.089 1.00 0.00 H new ATOM 0 HH TYR A 52 -6.335 -7.278 17.163 1.00 0.00 H new ATOM 854 N PRO A 53 -3.930 -4.651 9.616 1.00 0.00 N ATOM 855 CA PRO A 53 -2.953 -5.346 8.741 1.00 0.00 C ATOM 856 C PRO A 53 -1.796 -4.412 8.366 1.00 0.00 C ATOM 857 O PRO A 53 -0.647 -4.803 8.371 1.00 0.00 O ATOM 858 CB PRO A 53 -3.775 -5.717 7.509 1.00 0.00 C ATOM 859 CG PRO A 53 -4.899 -4.733 7.485 1.00 0.00 C ATOM 860 CD PRO A 53 -5.190 -4.365 8.917 1.00 0.00 C ATOM 0 HA PRO A 53 -2.495 -6.211 9.220 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -3.176 -5.654 6.601 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.147 -6.740 7.575 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -4.627 -3.850 6.907 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.780 -5.165 7.011 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -5.470 -3.316 9.011 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -6.014 -4.953 9.321 1.00 0.00 H new ATOM 868 N THR A 54 -2.090 -3.184 8.038 1.00 0.00 N ATOM 869 CA THR A 54 -1.002 -2.234 7.661 1.00 0.00 C ATOM 870 C THR A 54 0.034 -2.136 8.785 1.00 0.00 C ATOM 871 O THR A 54 1.130 -1.652 8.590 1.00 0.00 O ATOM 872 CB THR A 54 -1.701 -0.889 7.455 1.00 0.00 C ATOM 873 OG1 THR A 54 -0.821 -0.001 6.780 1.00 0.00 O ATOM 874 CG2 THR A 54 -2.085 -0.297 8.811 1.00 0.00 C ATOM 0 H THR A 54 -3.033 -2.797 8.014 1.00 0.00 H new ATOM 0 HA THR A 54 -0.467 -2.556 6.767 1.00 0.00 H new ATOM 0 HB THR A 54 -2.602 -1.034 6.858 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.302 0.447 6.054 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.583 0.661 8.662 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.759 -0.980 9.328 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.187 -0.150 9.411 1.00 0.00 H new ATOM 882 N LYS A 55 -0.306 -2.591 9.961 1.00 0.00 N ATOM 883 CA LYS A 55 0.664 -2.522 11.093 1.00 0.00 C ATOM 884 C LYS A 55 1.787 -3.544 10.895 1.00 0.00 C ATOM 885 O LYS A 55 2.951 -3.243 11.070 1.00 0.00 O ATOM 886 CB LYS A 55 -0.158 -2.862 12.337 1.00 0.00 C ATOM 887 CG LYS A 55 -0.298 -1.616 13.214 1.00 0.00 C ATOM 888 CD LYS A 55 0.396 -1.855 14.556 1.00 0.00 C ATOM 889 CE LYS A 55 1.465 -0.781 14.778 1.00 0.00 C ATOM 890 NZ LYS A 55 0.703 0.467 15.058 1.00 0.00 N ATOM 0 H LYS A 55 -1.210 -3.006 10.187 1.00 0.00 H new ATOM 0 HA LYS A 55 1.139 -1.544 11.171 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.143 -3.227 12.046 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.326 -3.662 12.898 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.143 -0.754 12.713 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.352 -1.387 13.373 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.334 -1.829 15.365 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.852 -2.845 14.570 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.118 -1.040 15.611 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.099 -0.668 13.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.362 1.221 15.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.187 0.758 14.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.027 0.295 15.829 1.00 0.00 H new ATOM 904 N TYR A 56 1.448 -4.750 10.531 1.00 0.00 N ATOM 905 CA TYR A 56 2.498 -5.788 10.322 1.00 0.00 C ATOM 906 C TYR A 56 3.455 -5.351 9.212 1.00 0.00 C ATOM 907 O TYR A 56 4.646 -5.594 9.271 1.00 0.00 O ATOM 908 CB TYR A 56 1.736 -7.047 9.909 1.00 0.00 C ATOM 909 CG TYR A 56 2.408 -8.260 10.506 1.00 0.00 C ATOM 910 CD1 TYR A 56 3.796 -8.270 10.690 1.00 0.00 C ATOM 911 CD2 TYR A 56 1.644 -9.373 10.876 1.00 0.00 C ATOM 912 CE1 TYR A 56 4.420 -9.394 11.244 1.00 0.00 C ATOM 913 CE2 TYR A 56 2.269 -10.497 11.431 1.00 0.00 C ATOM 914 CZ TYR A 56 3.657 -10.507 11.614 1.00 0.00 C ATOM 915 OH TYR A 56 4.272 -11.615 12.160 1.00 0.00 O ATOM 0 H TYR A 56 0.490 -5.062 10.369 1.00 0.00 H new ATOM 0 HA TYR A 56 3.100 -5.953 11.215 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.702 -6.987 10.248 1.00 0.00 H new ATOM 0 HB3 TYR A 56 1.711 -7.130 8.822 1.00 0.00 H new ATOM 0 HD1 TYR A 56 4.385 -7.411 10.405 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.573 -9.365 10.734 1.00 0.00 H new ATOM 0 HE1 TYR A 56 5.491 -9.402 11.386 1.00 0.00 H new ATOM 0 HE2 TYR A 56 1.680 -11.356 11.718 1.00 0.00 H new ATOM 0 HH TYR A 56 3.598 -12.297 12.361 1.00 0.00 H new ATOM 925 N PHE A 57 2.947 -4.705 8.198 1.00 0.00 N ATOM 926 CA PHE A 57 3.832 -4.251 7.088 1.00 0.00 C ATOM 927 C PHE A 57 4.936 -3.345 7.636 1.00 0.00 C ATOM 928 O PHE A 57 6.083 -3.448 7.252 1.00 0.00 O ATOM 929 CB PHE A 57 2.916 -3.472 6.144 1.00 0.00 C ATOM 930 CG PHE A 57 2.573 -4.333 4.950 1.00 0.00 C ATOM 931 CD1 PHE A 57 3.561 -5.118 4.345 1.00 0.00 C ATOM 932 CD2 PHE A 57 1.266 -4.343 4.449 1.00 0.00 C ATOM 933 CE1 PHE A 57 3.243 -5.915 3.239 1.00 0.00 C ATOM 934 CE2 PHE A 57 0.948 -5.141 3.342 1.00 0.00 C ATOM 935 CZ PHE A 57 1.936 -5.926 2.738 1.00 0.00 C ATOM 0 H PHE A 57 1.960 -4.472 8.090 1.00 0.00 H new ATOM 0 HA PHE A 57 4.323 -5.082 6.582 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.006 -3.176 6.666 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.408 -2.556 5.816 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.569 -5.109 4.732 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.504 -3.736 4.915 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.006 -6.521 2.773 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.060 -5.150 2.955 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.690 -6.541 1.885 1.00 0.00 H new ATOM 945 N GLY A 58 4.599 -2.462 8.536 1.00 0.00 N ATOM 946 CA GLY A 58 5.629 -1.551 9.110 1.00 0.00 C ATOM 947 C GLY A 58 6.725 -2.381 9.782 1.00 0.00 C ATOM 948 O GLY A 58 7.888 -2.029 9.756 1.00 0.00 O ATOM 0 H GLY A 58 3.655 -2.332 8.899 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.059 -0.929 8.325 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.171 -0.878 9.835 1.00 0.00 H new ATOM 952 N CYS A 59 6.366 -3.478 10.385 1.00 0.00 N ATOM 953 CA CYS A 59 7.394 -4.326 11.054 1.00 0.00 C ATOM 954 C CYS A 59 8.454 -4.765 10.041 1.00 0.00 C ATOM 955 O CYS A 59 9.625 -4.856 10.350 1.00 0.00 O ATOM 956 CB CYS A 59 6.624 -5.536 11.585 1.00 0.00 C ATOM 957 SG CYS A 59 6.809 -5.627 13.384 1.00 0.00 S ATOM 0 H CYS A 59 5.409 -3.825 10.445 1.00 0.00 H new ATOM 0 HA CYS A 59 7.916 -3.795 11.850 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.570 -5.454 11.321 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.998 -6.450 11.123 1.00 0.00 H new ATOM 0 HG CYS A 59 6.153 -6.654 13.836 1.00 0.00 H new ATOM 963 N GLU A 60 8.048 -5.046 8.831 1.00 0.00 N ATOM 964 CA GLU A 60 9.028 -5.489 7.795 1.00 0.00 C ATOM 965 C GLU A 60 9.983 -4.349 7.419 1.00 0.00 C ATOM 966 O GLU A 60 11.117 -4.578 7.050 1.00 0.00 O ATOM 967 CB GLU A 60 8.172 -5.886 6.591 1.00 0.00 C ATOM 968 CG GLU A 60 7.062 -6.834 7.045 1.00 0.00 C ATOM 969 CD GLU A 60 7.130 -8.127 6.232 1.00 0.00 C ATOM 970 OE1 GLU A 60 7.496 -8.055 5.070 1.00 0.00 O ATOM 971 OE2 GLU A 60 6.816 -9.169 6.785 1.00 0.00 O ATOM 0 H GLU A 60 7.080 -4.988 8.515 1.00 0.00 H new ATOM 0 HA GLU A 60 9.652 -6.309 8.151 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.740 -4.998 6.130 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.791 -6.369 5.835 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.169 -7.054 8.107 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.089 -6.361 6.914 1.00 0.00 H new ATOM 978 N LEU A 61 9.537 -3.124 7.500 1.00 0.00 N ATOM 979 CA LEU A 61 10.436 -1.983 7.135 1.00 0.00 C ATOM 980 C LEU A 61 10.985 -1.296 8.390 1.00 0.00 C ATOM 981 O LEU A 61 11.541 -0.218 8.323 1.00 0.00 O ATOM 982 CB LEU A 61 9.574 -1.010 6.316 1.00 0.00 C ATOM 983 CG LEU A 61 8.153 -0.941 6.883 1.00 0.00 C ATOM 984 CD1 LEU A 61 7.743 0.521 7.063 1.00 0.00 C ATOM 985 CD2 LEU A 61 7.186 -1.622 5.911 1.00 0.00 C ATOM 0 H LEU A 61 8.598 -2.862 7.800 1.00 0.00 H new ATOM 0 HA LEU A 61 11.299 -2.327 6.566 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.025 -0.018 6.328 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.541 -1.332 5.275 1.00 0.00 H new ATOM 0 HG LEU A 61 8.123 -1.448 7.848 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.732 0.568 7.467 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.432 1.010 7.752 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.773 1.029 6.099 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.174 -1.575 6.312 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.219 -1.113 4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.476 -2.665 5.780 1.00 0.00 H new ATOM 997 N GLY A 62 10.842 -1.910 9.534 1.00 0.00 N ATOM 998 CA GLY A 62 11.365 -1.288 10.787 1.00 0.00 C ATOM 999 C GLY A 62 10.567 -0.022 11.107 1.00 0.00 C ATOM 1000 O GLY A 62 10.868 0.697 12.039 1.00 0.00 O ATOM 0 H GLY A 62 10.386 -2.814 9.656 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.291 -1.995 11.614 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.421 -1.044 10.670 1.00 0.00 H new ATOM 1004 N ALA A 63 9.547 0.251 10.344 1.00 0.00 N ATOM 1005 CA ALA A 63 8.716 1.462 10.596 1.00 0.00 C ATOM 1006 C ALA A 63 7.316 1.030 11.024 1.00 0.00 C ATOM 1007 O ALA A 63 6.938 -0.111 10.850 1.00 0.00 O ATOM 1008 CB ALA A 63 8.671 2.198 9.261 1.00 0.00 C ATOM 0 H ALA A 63 9.250 -0.317 9.550 1.00 0.00 H new ATOM 0 HA ALA A 63 9.118 2.096 11.386 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.075 3.105 9.365 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.684 2.463 8.957 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.222 1.554 8.505 1.00 0.00 H new ATOM 1014 N GLN A 64 6.535 1.910 11.585 1.00 0.00 N ATOM 1015 CA GLN A 64 5.181 1.503 12.008 1.00 0.00 C ATOM 1016 C GLN A 64 4.144 2.160 11.105 1.00 0.00 C ATOM 1017 O GLN A 64 4.144 1.975 9.904 1.00 0.00 O ATOM 1018 CB GLN A 64 5.054 1.999 13.448 1.00 0.00 C ATOM 1019 CG GLN A 64 3.839 1.345 14.109 1.00 0.00 C ATOM 1020 CD GLN A 64 3.499 2.088 15.403 1.00 0.00 C ATOM 1021 OE1 GLN A 64 2.375 2.050 15.861 1.00 0.00 O ATOM 1022 NE2 GLN A 64 4.431 2.765 16.016 1.00 0.00 N ATOM 0 H GLN A 64 6.779 2.884 11.765 1.00 0.00 H new ATOM 0 HA GLN A 64 5.020 0.427 11.942 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.958 1.759 14.007 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.949 3.084 13.462 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.987 1.367 13.430 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.049 0.297 14.323 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.375 2.797 15.631 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.215 3.262 16.880 1.00 0.00 H new ATOM 1031 N THR A 65 3.262 2.921 11.670 1.00 0.00 N ATOM 1032 CA THR A 65 2.221 3.585 10.841 1.00 0.00 C ATOM 1033 C THR A 65 1.790 4.920 11.453 1.00 0.00 C ATOM 1034 O THR A 65 2.123 5.244 12.575 1.00 0.00 O ATOM 1035 CB THR A 65 1.045 2.612 10.793 1.00 0.00 C ATOM 1036 OG1 THR A 65 0.175 2.866 11.888 1.00 0.00 O ATOM 1037 CG2 THR A 65 1.555 1.170 10.866 1.00 0.00 C ATOM 0 H THR A 65 3.213 3.115 12.670 1.00 0.00 H new ATOM 0 HA THR A 65 2.600 3.813 9.844 1.00 0.00 H new ATOM 0 HB THR A 65 0.504 2.751 9.857 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.748 2.925 11.565 1.00 0.00 H new ATOM 0 HG21 THR A 65 0.710 0.483 10.831 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.216 0.975 10.022 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.103 1.024 11.797 1.00 0.00 H new ATOM 1045 N GLN A 66 1.026 5.678 10.719 1.00 0.00 N ATOM 1046 CA GLN A 66 0.526 6.985 11.235 1.00 0.00 C ATOM 1047 C GLN A 66 -0.926 7.144 10.790 1.00 0.00 C ATOM 1048 O GLN A 66 -1.282 6.769 9.690 1.00 0.00 O ATOM 1049 CB GLN A 66 1.416 8.045 10.583 1.00 0.00 C ATOM 1050 CG GLN A 66 1.457 9.292 11.469 1.00 0.00 C ATOM 1051 CD GLN A 66 1.068 10.520 10.642 1.00 0.00 C ATOM 1052 OE1 GLN A 66 1.871 11.041 9.894 1.00 0.00 O ATOM 1053 NE2 GLN A 66 -0.138 11.006 10.747 1.00 0.00 N ATOM 0 H GLN A 66 0.723 5.447 9.773 1.00 0.00 H new ATOM 0 HA GLN A 66 0.561 7.066 12.321 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.423 7.653 10.442 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.032 8.300 9.595 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.774 9.176 12.310 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.456 9.422 11.885 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.812 10.568 11.375 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.407 11.824 10.201 1.00 0.00 H new ATOM 1062 N PHE A 67 -1.781 7.655 11.628 1.00 0.00 N ATOM 1063 CA PHE A 67 -3.204 7.771 11.211 1.00 0.00 C ATOM 1064 C PHE A 67 -3.758 9.179 11.362 1.00 0.00 C ATOM 1065 O PHE A 67 -3.466 9.882 12.308 1.00 0.00 O ATOM 1066 CB PHE A 67 -3.936 6.784 12.109 1.00 0.00 C ATOM 1067 CG PHE A 67 -3.725 5.433 11.504 1.00 0.00 C ATOM 1068 CD1 PHE A 67 -4.108 5.230 10.183 1.00 0.00 C ATOM 1069 CD2 PHE A 67 -3.108 4.409 12.227 1.00 0.00 C ATOM 1070 CE1 PHE A 67 -3.879 4.008 9.569 1.00 0.00 C ATOM 1071 CE2 PHE A 67 -2.884 3.171 11.617 1.00 0.00 C ATOM 1072 CZ PHE A 67 -3.266 2.970 10.283 1.00 0.00 C ATOM 0 H PHE A 67 -1.563 7.992 12.566 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.326 7.553 10.150 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.546 6.820 13.126 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.998 7.023 12.166 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.586 6.027 9.633 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.806 4.573 13.251 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.173 3.856 8.541 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.417 2.371 12.172 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.088 2.017 9.807 1.00 0.00 H new ATOM 1082 N ASP A 68 -4.588 9.583 10.438 1.00 0.00 N ATOM 1083 CA ASP A 68 -5.196 10.934 10.536 1.00 0.00 C ATOM 1084 C ASP A 68 -6.717 10.796 10.561 1.00 0.00 C ATOM 1085 O ASP A 68 -7.322 10.323 9.619 1.00 0.00 O ATOM 1086 CB ASP A 68 -4.737 11.675 9.280 1.00 0.00 C ATOM 1087 CG ASP A 68 -4.292 13.090 9.655 1.00 0.00 C ATOM 1088 OD1 ASP A 68 -4.701 13.559 10.705 1.00 0.00 O ATOM 1089 OD2 ASP A 68 -3.551 13.680 8.887 1.00 0.00 O ATOM 0 H ASP A 68 -4.868 9.036 9.624 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.900 11.468 11.439 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.915 11.137 8.808 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.549 11.718 8.554 1.00 0.00 H new ATOM 1094 N VAL A 69 -7.341 11.202 11.630 1.00 0.00 N ATOM 1095 CA VAL A 69 -8.823 11.089 11.709 1.00 0.00 C ATOM 1096 C VAL A 69 -9.456 12.363 11.157 1.00 0.00 C ATOM 1097 O VAL A 69 -10.377 12.319 10.366 1.00 0.00 O ATOM 1098 CB VAL A 69 -9.132 10.910 13.195 1.00 0.00 C ATOM 1099 CG1 VAL A 69 -8.319 9.733 13.735 1.00 0.00 C ATOM 1100 CG2 VAL A 69 -8.753 12.183 13.955 1.00 0.00 C ATOM 0 H VAL A 69 -6.890 11.606 12.451 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.219 10.258 11.125 1.00 0.00 H new ATOM 0 HB VAL A 69 -10.196 10.716 13.328 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.534 9.598 14.795 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.587 8.826 13.193 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.256 9.934 13.603 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.974 12.054 15.014 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.688 12.379 13.828 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.326 13.024 13.565 1.00 0.00 H new ATOM 1110 N LYS A 70 -8.947 13.500 11.540 1.00 0.00 N ATOM 1111 CA LYS A 70 -9.500 14.769 11.002 1.00 0.00 C ATOM 1112 C LYS A 70 -9.097 14.886 9.532 1.00 0.00 C ATOM 1113 O LYS A 70 -9.529 15.771 8.821 1.00 0.00 O ATOM 1114 CB LYS A 70 -8.851 15.876 11.834 1.00 0.00 C ATOM 1115 CG LYS A 70 -9.893 16.948 12.162 1.00 0.00 C ATOM 1116 CD LYS A 70 -9.410 18.305 11.645 1.00 0.00 C ATOM 1117 CE LYS A 70 -10.353 19.404 12.137 1.00 0.00 C ATOM 1118 NZ LYS A 70 -10.959 19.973 10.902 1.00 0.00 N ATOM 0 H LYS A 70 -8.176 13.604 12.199 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.587 14.824 11.059 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.440 15.460 12.754 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.020 16.318 11.285 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -10.849 16.692 11.705 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.056 16.994 13.239 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.396 18.499 11.994 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.377 18.300 10.556 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.117 19.000 12.802 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.812 20.166 12.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.619 20.735 11.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.209 20.356 10.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.473 19.227 10.392 1.00 0.00 H new ATOM 1132 N ASN A 71 -8.265 13.983 9.079 1.00 0.00 N ATOM 1133 CA ASN A 71 -7.819 14.014 7.660 1.00 0.00 C ATOM 1134 C ASN A 71 -8.239 12.724 6.945 1.00 0.00 C ATOM 1135 O ASN A 71 -8.430 12.714 5.746 1.00 0.00 O ATOM 1136 CB ASN A 71 -6.296 14.119 7.726 1.00 0.00 C ATOM 1137 CG ASN A 71 -5.816 15.215 6.772 1.00 0.00 C ATOM 1138 OD1 ASN A 71 -4.870 15.023 6.035 1.00 0.00 O ATOM 1139 ND2 ASN A 71 -6.434 16.364 6.756 1.00 0.00 N ATOM 0 H ASN A 71 -7.875 13.223 9.637 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.261 14.842 7.106 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -5.981 14.345 8.745 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.843 13.165 7.457 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.123 17.102 6.124 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.228 16.524 7.375 1.00 0.00 H new ATOM 1146 N ASP A 72 -8.383 11.637 7.667 1.00 0.00 N ATOM 1147 CA ASP A 72 -8.794 10.356 7.013 1.00 0.00 C ATOM 1148 C ASP A 72 -7.657 9.826 6.148 1.00 0.00 C ATOM 1149 O ASP A 72 -7.849 8.989 5.288 1.00 0.00 O ATOM 1150 CB ASP A 72 -9.966 10.733 6.126 1.00 0.00 C ATOM 1151 CG ASP A 72 -10.911 11.668 6.883 1.00 0.00 C ATOM 1152 OD1 ASP A 72 -11.034 11.506 8.086 1.00 0.00 O ATOM 1153 OD2 ASP A 72 -11.496 12.529 6.247 1.00 0.00 O ATOM 0 H ASP A 72 -8.234 11.583 8.675 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.047 9.585 7.741 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.606 11.221 5.220 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.501 9.836 5.814 1.00 0.00 H new ATOM 1158 N ARG A 73 -6.481 10.317 6.367 1.00 0.00 N ATOM 1159 CA ARG A 73 -5.317 9.860 5.558 1.00 0.00 C ATOM 1160 C ARG A 73 -4.342 9.104 6.452 1.00 0.00 C ATOM 1161 O ARG A 73 -3.966 9.568 7.509 1.00 0.00 O ATOM 1162 CB ARG A 73 -4.678 11.140 5.022 1.00 0.00 C ATOM 1163 CG ARG A 73 -5.381 11.562 3.731 1.00 0.00 C ATOM 1164 CD ARG A 73 -5.053 10.562 2.620 1.00 0.00 C ATOM 1165 NE ARG A 73 -3.809 11.083 1.989 1.00 0.00 N ATOM 1166 CZ ARG A 73 -3.881 11.815 0.911 1.00 0.00 C ATOM 1167 NH1 ARG A 73 -5.007 12.386 0.584 1.00 0.00 N ATOM 1168 NH2 ARG A 73 -2.825 11.976 0.160 1.00 0.00 N ATOM 0 H ARG A 73 -6.267 11.020 7.075 1.00 0.00 H new ATOM 0 HA ARG A 73 -5.604 9.187 4.750 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.752 11.934 5.765 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.617 10.978 4.834 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.459 11.606 3.889 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.061 12.563 3.440 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.902 9.560 3.022 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.865 10.496 1.896 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.900 10.868 2.399 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.832 12.261 1.171 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.063 12.958 -0.259 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.944 11.530 0.416 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.881 12.548 -0.683 1.00 0.00 H new ATOM 1182 N TYR A 74 -3.937 7.937 6.044 1.00 0.00 N ATOM 1183 CA TYR A 74 -2.998 7.149 6.885 1.00 0.00 C ATOM 1184 C TYR A 74 -1.638 7.023 6.197 1.00 0.00 C ATOM 1185 O TYR A 74 -1.540 6.653 5.044 1.00 0.00 O ATOM 1186 CB TYR A 74 -3.668 5.783 7.038 1.00 0.00 C ATOM 1187 CG TYR A 74 -5.141 5.973 7.335 1.00 0.00 C ATOM 1188 CD1 TYR A 74 -5.589 7.139 7.974 1.00 0.00 C ATOM 1189 CD2 TYR A 74 -6.060 4.984 6.965 1.00 0.00 C ATOM 1190 CE1 TYR A 74 -6.953 7.315 8.241 1.00 0.00 C ATOM 1191 CE2 TYR A 74 -7.424 5.160 7.231 1.00 0.00 C ATOM 1192 CZ TYR A 74 -7.870 6.325 7.868 1.00 0.00 C ATOM 1193 OH TYR A 74 -9.215 6.497 8.129 1.00 0.00 O ATOM 0 H TYR A 74 -4.214 7.495 5.167 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.808 7.619 7.850 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -3.542 5.200 6.125 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.193 5.221 7.843 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.881 7.902 8.261 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.717 4.085 6.474 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.296 8.213 8.734 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.132 4.397 6.945 1.00 0.00 H new ATOM 0 HH TYR A 74 -9.713 5.718 7.805 1.00 0.00 H new ATOM 1203 N ILE A 75 -0.591 7.335 6.905 1.00 0.00 N ATOM 1204 CA ILE A 75 0.776 7.246 6.318 1.00 0.00 C ATOM 1205 C ILE A 75 1.647 6.321 7.171 1.00 0.00 C ATOM 1206 O ILE A 75 1.459 6.212 8.362 1.00 0.00 O ATOM 1207 CB ILE A 75 1.316 8.677 6.352 1.00 0.00 C ATOM 1208 CG1 ILE A 75 0.268 9.630 5.772 1.00 0.00 C ATOM 1209 CG2 ILE A 75 2.596 8.759 5.519 1.00 0.00 C ATOM 1210 CD1 ILE A 75 0.866 11.033 5.650 1.00 0.00 C ATOM 0 H ILE A 75 -0.623 7.651 7.874 1.00 0.00 H new ATOM 0 HA ILE A 75 0.771 6.840 5.306 1.00 0.00 H new ATOM 0 HB ILE A 75 1.535 8.959 7.382 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.059 9.276 4.794 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.613 9.653 6.414 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.981 9.778 5.543 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.342 8.079 5.931 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.378 8.478 4.489 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.120 11.712 5.237 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.171 11.385 6.635 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.733 11.003 4.991 1.00 0.00 H new ATOM 1222 N VAL A 76 2.595 5.651 6.577 1.00 0.00 N ATOM 1223 CA VAL A 76 3.462 4.740 7.371 1.00 0.00 C ATOM 1224 C VAL A 76 4.881 5.296 7.398 1.00 0.00 C ATOM 1225 O VAL A 76 5.375 5.809 6.413 1.00 0.00 O ATOM 1226 CB VAL A 76 3.418 3.401 6.634 1.00 0.00 C ATOM 1227 CG1 VAL A 76 4.433 2.442 7.258 1.00 0.00 C ATOM 1228 CG2 VAL A 76 2.015 2.802 6.750 1.00 0.00 C ATOM 0 H VAL A 76 2.805 5.695 5.580 1.00 0.00 H new ATOM 0 HA VAL A 76 3.132 4.635 8.404 1.00 0.00 H new ATOM 0 HB VAL A 76 3.662 3.556 5.583 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.402 1.487 6.733 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.433 2.868 7.178 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.188 2.286 8.309 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.982 1.847 6.225 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.772 2.647 7.801 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.290 3.485 6.307 1.00 0.00 H new ATOM 1238 N ASN A 77 5.533 5.227 8.521 1.00 0.00 N ATOM 1239 CA ASN A 77 6.911 5.785 8.603 1.00 0.00 C ATOM 1240 C ASN A 77 7.871 4.997 7.713 1.00 0.00 C ATOM 1241 O ASN A 77 7.789 3.793 7.603 1.00 0.00 O ATOM 1242 CB ASN A 77 7.308 5.652 10.073 1.00 0.00 C ATOM 1243 CG ASN A 77 6.272 6.360 10.948 1.00 0.00 C ATOM 1244 OD1 ASN A 77 6.364 7.551 11.176 1.00 0.00 O ATOM 1245 ND2 ASN A 77 5.282 5.675 11.451 1.00 0.00 N ATOM 0 H ASN A 77 5.176 4.812 9.382 1.00 0.00 H new ATOM 0 HA ASN A 77 6.951 6.819 8.260 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.374 4.600 10.349 1.00 0.00 H new ATOM 0 HB3 ASN A 77 8.294 6.087 10.235 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.586 6.138 12.035 1.00 0.00 H new ATOM 0 HD22 ASN A 77 5.204 4.676 11.260 1.00 0.00 H new ATOM 1252 N GLY A 78 8.781 5.676 7.073 1.00 0.00 N ATOM 1253 CA GLY A 78 9.753 4.974 6.193 1.00 0.00 C ATOM 1254 C GLY A 78 9.385 5.210 4.732 1.00 0.00 C ATOM 1255 O GLY A 78 8.228 5.180 4.361 1.00 0.00 O ATOM 0 H GLY A 78 8.893 6.689 7.122 1.00 0.00 H new ATOM 0 HA2 GLY A 78 10.762 5.337 6.387 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.751 3.906 6.411 1.00 0.00 H new ATOM 1259 N SER A 79 10.357 5.440 3.897 1.00 0.00 N ATOM 1260 CA SER A 79 10.053 5.671 2.460 1.00 0.00 C ATOM 1261 C SER A 79 9.830 4.332 1.763 1.00 0.00 C ATOM 1262 O SER A 79 10.600 3.404 1.913 1.00 0.00 O ATOM 1263 CB SER A 79 11.282 6.374 1.895 1.00 0.00 C ATOM 1264 OG SER A 79 12.093 5.430 1.209 1.00 0.00 O ATOM 0 H SER A 79 11.345 5.478 4.146 1.00 0.00 H new ATOM 0 HA SER A 79 9.152 6.267 2.315 1.00 0.00 H new ATOM 0 HB2 SER A 79 10.979 7.171 1.216 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.850 6.841 2.700 1.00 0.00 H new ATOM 0 HG SER A 79 12.883 5.881 0.844 1.00 0.00 H new ATOM 1270 N HIS A 80 8.772 4.218 1.015 1.00 0.00 N ATOM 1271 CA HIS A 80 8.490 2.931 0.321 1.00 0.00 C ATOM 1272 C HIS A 80 7.923 3.185 -1.077 1.00 0.00 C ATOM 1273 O HIS A 80 6.947 3.890 -1.245 1.00 0.00 O ATOM 1274 CB HIS A 80 7.455 2.231 1.203 1.00 0.00 C ATOM 1275 CG HIS A 80 8.009 2.064 2.592 1.00 0.00 C ATOM 1276 ND1 HIS A 80 9.116 1.270 2.853 1.00 0.00 N ATOM 1277 CD2 HIS A 80 7.626 2.581 3.806 1.00 0.00 C ATOM 1278 CE1 HIS A 80 9.356 1.332 4.174 1.00 0.00 C ATOM 1279 NE2 HIS A 80 8.478 2.117 4.803 1.00 0.00 N ATOM 0 H HIS A 80 8.090 4.959 0.853 1.00 0.00 H new ATOM 0 HA HIS A 80 9.390 2.331 0.186 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.535 2.814 1.235 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.201 1.258 0.782 1.00 0.00 H new ATOM 0 HD1 HIS A 80 9.650 0.736 2.167 1.00 0.00 H new ATOM 0 HD2 HIS A 80 6.790 3.247 3.963 1.00 0.00 H new ATOM 0 HE1 HIS A 80 10.162 0.810 4.667 1.00 0.00 H new ATOM 1287 N GLU A 81 8.523 2.607 -2.081 1.00 0.00 N ATOM 1288 CA GLU A 81 8.014 2.805 -3.468 1.00 0.00 C ATOM 1289 C GLU A 81 7.195 1.582 -3.894 1.00 0.00 C ATOM 1290 O GLU A 81 7.428 0.479 -3.441 1.00 0.00 O ATOM 1291 CB GLU A 81 9.272 2.958 -4.331 1.00 0.00 C ATOM 1292 CG GLU A 81 9.055 2.305 -5.700 1.00 0.00 C ATOM 1293 CD GLU A 81 7.927 3.030 -6.438 1.00 0.00 C ATOM 1294 OE1 GLU A 81 7.716 4.198 -6.157 1.00 0.00 O ATOM 1295 OE2 GLU A 81 7.293 2.403 -7.271 1.00 0.00 O ATOM 0 H GLU A 81 9.343 2.006 -2.001 1.00 0.00 H new ATOM 0 HA GLU A 81 7.360 3.672 -3.561 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.510 4.014 -4.457 1.00 0.00 H new ATOM 0 HB3 GLU A 81 10.124 2.497 -3.831 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.974 2.348 -6.285 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.805 1.251 -5.577 1.00 0.00 H new ATOM 1302 N ALA A 82 6.235 1.768 -4.757 1.00 0.00 N ATOM 1303 CA ALA A 82 5.403 0.615 -5.202 1.00 0.00 C ATOM 1304 C ALA A 82 6.299 -0.528 -5.687 1.00 0.00 C ATOM 1305 O ALA A 82 6.079 -1.679 -5.369 1.00 0.00 O ATOM 1306 CB ALA A 82 4.556 1.160 -6.351 1.00 0.00 C ATOM 0 H ALA A 82 5.991 2.667 -5.173 1.00 0.00 H new ATOM 0 HA ALA A 82 4.787 0.214 -4.397 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.913 0.369 -6.736 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.941 1.985 -5.990 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.209 1.516 -7.148 1.00 0.00 H new ATOM 1312 N ASN A 83 7.312 -0.220 -6.450 1.00 0.00 N ATOM 1313 CA ASN A 83 8.222 -1.292 -6.946 1.00 0.00 C ATOM 1314 C ASN A 83 8.838 -2.042 -5.764 1.00 0.00 C ATOM 1315 O ASN A 83 9.006 -3.246 -5.795 1.00 0.00 O ATOM 1316 CB ASN A 83 9.304 -0.559 -7.740 1.00 0.00 C ATOM 1317 CG ASN A 83 9.648 -1.361 -8.997 1.00 0.00 C ATOM 1318 OD1 ASN A 83 9.309 -0.966 -10.095 1.00 0.00 O ATOM 1319 ND2 ASN A 83 10.310 -2.480 -8.881 1.00 0.00 N ATOM 0 H ASN A 83 7.549 0.725 -6.751 1.00 0.00 H new ATOM 0 HA ASN A 83 7.701 -2.029 -7.557 1.00 0.00 H new ATOM 0 HB2 ASN A 83 8.956 0.437 -8.015 1.00 0.00 H new ATOM 0 HB3 ASN A 83 10.194 -0.427 -7.125 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.543 -3.023 -9.712 1.00 0.00 H new ATOM 0 HD22 ASN A 83 10.594 -2.811 -7.959 1.00 0.00 H new ATOM 1326 N LYS A 84 9.168 -1.337 -4.720 1.00 0.00 N ATOM 1327 CA LYS A 84 9.769 -2.001 -3.527 1.00 0.00 C ATOM 1328 C LYS A 84 8.720 -2.870 -2.830 1.00 0.00 C ATOM 1329 O LYS A 84 9.006 -3.959 -2.373 1.00 0.00 O ATOM 1330 CB LYS A 84 10.209 -0.855 -2.615 1.00 0.00 C ATOM 1331 CG LYS A 84 11.718 -0.644 -2.752 1.00 0.00 C ATOM 1332 CD LYS A 84 12.457 -1.669 -1.891 1.00 0.00 C ATOM 1333 CE LYS A 84 13.149 -2.692 -2.795 1.00 0.00 C ATOM 1334 NZ LYS A 84 12.626 -4.013 -2.351 1.00 0.00 N ATOM 0 H LYS A 84 9.048 -0.327 -4.639 1.00 0.00 H new ATOM 0 HA LYS A 84 10.602 -2.653 -3.789 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.678 0.059 -2.880 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.955 -1.082 -1.580 1.00 0.00 H new ATOM 0 HG2 LYS A 84 12.017 -0.747 -3.795 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.984 0.367 -2.442 1.00 0.00 H new ATOM 0 HD2 LYS A 84 13.192 -1.168 -1.261 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.757 -2.172 -1.224 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.920 -2.510 -3.845 1.00 0.00 H new ATOM 0 HE3 LYS A 84 14.233 -2.641 -2.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.947 -4.752 -3.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 12.978 -4.222 -1.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 11.586 -3.989 -2.339 1.00 0.00 H new ATOM 1348 N LEU A 85 7.505 -2.399 -2.749 1.00 0.00 N ATOM 1349 CA LEU A 85 6.437 -3.199 -2.087 1.00 0.00 C ATOM 1350 C LEU A 85 6.253 -4.528 -2.819 1.00 0.00 C ATOM 1351 O LEU A 85 6.076 -5.566 -2.212 1.00 0.00 O ATOM 1352 CB LEU A 85 5.175 -2.345 -2.198 1.00 0.00 C ATOM 1353 CG LEU A 85 5.391 -1.016 -1.474 1.00 0.00 C ATOM 1354 CD1 LEU A 85 4.049 -0.306 -1.297 1.00 0.00 C ATOM 1355 CD2 LEU A 85 6.013 -1.281 -0.102 1.00 0.00 C ATOM 0 H LEU A 85 7.206 -1.494 -3.113 1.00 0.00 H new ATOM 0 HA LEU A 85 6.676 -3.435 -1.050 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.936 -2.165 -3.246 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.326 -2.874 -1.764 1.00 0.00 H new ATOM 0 HG LEU A 85 6.059 -0.386 -2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.204 0.641 -0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.605 -0.118 -2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.380 -0.934 -0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.168 -0.335 0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.345 -1.911 0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.970 -1.787 -0.228 1.00 0.00 H new ATOM 1367 N GLN A 86 6.294 -4.504 -4.123 1.00 0.00 N ATOM 1368 CA GLN A 86 6.124 -5.766 -4.896 1.00 0.00 C ATOM 1369 C GLN A 86 7.209 -6.771 -4.504 1.00 0.00 C ATOM 1370 O GLN A 86 6.971 -7.960 -4.437 1.00 0.00 O ATOM 1371 CB GLN A 86 6.275 -5.356 -6.361 1.00 0.00 C ATOM 1372 CG GLN A 86 5.180 -6.025 -7.194 1.00 0.00 C ATOM 1373 CD GLN A 86 5.354 -5.649 -8.666 1.00 0.00 C ATOM 1374 OE1 GLN A 86 4.406 -5.263 -9.322 1.00 0.00 O ATOM 1375 NE2 GLN A 86 6.532 -5.745 -9.216 1.00 0.00 N ATOM 0 H GLN A 86 6.438 -3.666 -4.686 1.00 0.00 H new ATOM 0 HA GLN A 86 5.163 -6.244 -4.705 1.00 0.00 H new ATOM 0 HB2 GLN A 86 6.207 -4.272 -6.455 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.258 -5.647 -6.732 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.230 -7.107 -7.076 1.00 0.00 H new ATOM 0 HG3 GLN A 86 4.198 -5.711 -6.842 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.327 -6.069 -8.665 1.00 0.00 H new ATOM 0 HE22 GLN A 86 6.659 -5.496 -10.197 1.00 0.00 H new ATOM 1384 N ASP A 87 8.399 -6.303 -4.241 1.00 0.00 N ATOM 1385 CA ASP A 87 9.495 -7.238 -3.851 1.00 0.00 C ATOM 1386 C ASP A 87 9.211 -7.828 -2.466 1.00 0.00 C ATOM 1387 O ASP A 87 9.324 -9.017 -2.252 1.00 0.00 O ATOM 1388 CB ASP A 87 10.758 -6.377 -3.819 1.00 0.00 C ATOM 1389 CG ASP A 87 11.490 -6.497 -5.157 1.00 0.00 C ATOM 1390 OD1 ASP A 87 11.547 -7.596 -5.684 1.00 0.00 O ATOM 1391 OD2 ASP A 87 11.982 -5.486 -5.632 1.00 0.00 O ATOM 0 H ASP A 87 8.660 -5.318 -4.279 1.00 0.00 H new ATOM 0 HA ASP A 87 9.592 -8.075 -4.542 1.00 0.00 H new ATOM 0 HB2 ASP A 87 10.497 -5.336 -3.627 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.409 -6.698 -3.006 1.00 0.00 H new