USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 400 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 530 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 561 GLN : amide:sc= -1.53 K(o=-1.5,f=-0.35) USER MOD Single : A 529 HIS : no HD1:sc= -0.445 X(o=-0.45,f=-0.27) USER MOD Single : A 531 THR OG1 : rot 180:sc= 0 USER MOD Single : A 533 GLN : amide:sc= -4.65! K(o=-4.7!,f=-0.32) USER MOD Single : A 535 HIS : no HD1:sc= -1.3 X(o=-1.3,f=-0.94) USER MOD Single : A 537 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 542 MET CE :methyl -129:sc= -3.58 (180deg=-8.55!) USER MOD Single : A 543 GLN : amide:sc= -2.02 K(o=-2,f=-1) USER MOD Single : A 546 GLN : amide:sc= -5.26! C(o=-5.3!,f=-8.5!) USER MOD Single : A 548 THR OG1 : rot 12:sc= 0.17 USER MOD Single : A 551 GLN : amide:sc= -2.62 K(o=-2.6,f=-0.064) USER MOD Single : A 554 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 559 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 562 SER OG : rot 180:sc= 0 USER MOD Single : A 567 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 569 GLN : amide:sc= 0.28 X(o=0.28,f=-0.16) USER MOD Single : A 571 GLN : amide:sc= -0.184 K(o=-0.18,f=-1.3) USER MOD Single : A 572 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 573 SER OG : rot 180:sc= 0.0904 USER MOD Single : A 574 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 529 5.799 -13.849 -8.768 1.00 0.00 N ATOM 2 CA HIS A 529 6.327 -12.689 -8.071 1.00 0.00 C ATOM 3 C HIS A 529 5.413 -11.486 -8.312 1.00 0.00 C ATOM 4 O HIS A 529 5.420 -10.903 -9.395 1.00 0.00 O ATOM 5 CB HIS A 529 7.777 -12.423 -8.480 1.00 0.00 C ATOM 6 CG HIS A 529 8.798 -12.929 -7.489 1.00 0.00 C ATOM 7 ND1 HIS A 529 10.156 -12.946 -7.754 1.00 0.00 N ATOM 8 CD2 HIS A 529 8.644 -13.434 -6.231 1.00 0.00 C ATOM 9 CE1 HIS A 529 10.782 -13.442 -6.696 1.00 0.00 C ATOM 10 NE2 HIS A 529 9.843 -13.744 -5.754 1.00 0.00 N ATOM 0 HA HIS A 529 6.343 -12.881 -6.998 1.00 0.00 H new ATOM 0 HB2 HIS A 529 7.962 -12.890 -9.447 1.00 0.00 H new ATOM 0 HB3 HIS A 529 7.915 -11.350 -8.612 1.00 0.00 H new ATOM 0 HD2 HIS A 529 7.706 -13.560 -5.711 1.00 0.00 H new ATOM 0 HE1 HIS A 529 11.848 -13.582 -6.597 1.00 0.00 H new ATOM 0 HE2 HIS A 529 10.031 -14.143 -4.834 1.00 0.00 H new ATOM 18 N MET A 530 4.649 -11.149 -7.283 1.00 0.00 N ATOM 19 CA MET A 530 3.731 -10.025 -7.369 1.00 0.00 C ATOM 20 C MET A 530 4.343 -8.878 -8.176 1.00 0.00 C ATOM 21 O MET A 530 5.302 -8.247 -7.735 1.00 0.00 O ATOM 22 CB MET A 530 3.392 -9.535 -5.961 1.00 0.00 C ATOM 23 CG MET A 530 1.964 -9.926 -5.573 1.00 0.00 C ATOM 24 SD MET A 530 1.978 -11.463 -4.665 1.00 0.00 S ATOM 25 CE MET A 530 1.404 -10.889 -3.075 1.00 0.00 C ATOM 0 H MET A 530 4.647 -11.634 -6.386 1.00 0.00 H new ATOM 0 HA MET A 530 2.825 -10.357 -7.876 1.00 0.00 H new ATOM 0 HB2 MET A 530 4.096 -9.959 -5.245 1.00 0.00 H new ATOM 0 HB3 MET A 530 3.502 -8.452 -5.913 1.00 0.00 H new ATOM 0 HG2 MET A 530 1.515 -9.140 -4.966 1.00 0.00 H new ATOM 0 HG3 MET A 530 1.350 -10.028 -6.468 1.00 0.00 H new ATOM 0 HE1 MET A 530 1.353 -11.729 -2.382 1.00 0.00 H new ATOM 0 HE2 MET A 530 2.094 -10.140 -2.688 1.00 0.00 H new ATOM 0 HE3 MET A 530 0.413 -10.448 -3.183 1.00 0.00 H new ATOM 35 N THR A 531 3.763 -8.644 -9.344 1.00 0.00 N ATOM 36 CA THR A 531 4.239 -7.584 -10.217 1.00 0.00 C ATOM 37 C THR A 531 4.569 -6.331 -9.403 1.00 0.00 C ATOM 38 O THR A 531 4.163 -6.212 -8.248 1.00 0.00 O ATOM 39 CB THR A 531 3.179 -7.347 -11.294 1.00 0.00 C ATOM 40 OG1 THR A 531 2.040 -6.894 -10.567 1.00 0.00 O ATOM 41 CG2 THR A 531 2.709 -8.647 -11.950 1.00 0.00 C ATOM 0 H THR A 531 2.968 -9.170 -9.706 1.00 0.00 H new ATOM 0 HA THR A 531 5.168 -7.866 -10.712 1.00 0.00 H new ATOM 0 HB THR A 531 3.581 -6.680 -12.057 1.00 0.00 H new ATOM 0 HG1 THR A 531 1.305 -6.715 -11.190 1.00 0.00 H new ATOM 0 HG21 THR A 531 1.957 -8.422 -12.706 1.00 0.00 H new ATOM 0 HG22 THR A 531 3.557 -9.145 -12.419 1.00 0.00 H new ATOM 0 HG23 THR A 531 2.277 -9.301 -11.193 1.00 0.00 H new ATOM 49 N PRO A 532 5.321 -5.404 -10.054 1.00 0.00 N ATOM 50 CA PRO A 532 5.710 -4.165 -9.404 1.00 0.00 C ATOM 51 C PRO A 532 4.529 -3.196 -9.318 1.00 0.00 C ATOM 52 O PRO A 532 4.546 -2.259 -8.521 1.00 0.00 O ATOM 53 CB PRO A 532 6.860 -3.626 -10.239 1.00 0.00 C ATOM 54 CG PRO A 532 6.768 -4.335 -11.581 1.00 0.00 C ATOM 55 CD PRO A 532 5.819 -5.511 -11.422 1.00 0.00 C ATOM 0 HA PRO A 532 6.021 -4.313 -8.370 1.00 0.00 H new ATOM 0 HB2 PRO A 532 6.781 -2.546 -10.362 1.00 0.00 H new ATOM 0 HB3 PRO A 532 7.818 -3.823 -9.758 1.00 0.00 H new ATOM 0 HG2 PRO A 532 6.405 -3.652 -12.349 1.00 0.00 H new ATOM 0 HG3 PRO A 532 7.752 -4.679 -11.899 1.00 0.00 H new ATOM 0 HD2 PRO A 532 5.004 -5.463 -12.145 1.00 0.00 H new ATOM 0 HD3 PRO A 532 6.333 -6.459 -11.583 1.00 0.00 H new ATOM 63 N GLN A 533 3.531 -3.455 -10.150 1.00 0.00 N ATOM 64 CA GLN A 533 2.344 -2.618 -10.178 1.00 0.00 C ATOM 65 C GLN A 533 1.519 -2.823 -8.906 1.00 0.00 C ATOM 66 O GLN A 533 0.972 -1.869 -8.355 1.00 0.00 O ATOM 67 CB GLN A 533 1.505 -2.898 -11.427 1.00 0.00 C ATOM 68 CG GLN A 533 0.085 -2.350 -11.267 1.00 0.00 C ATOM 69 CD GLN A 533 -0.931 -3.487 -11.148 1.00 0.00 C ATOM 70 OE1 GLN A 533 -2.041 -3.418 -11.649 1.00 0.00 O ATOM 71 NE2 GLN A 533 -0.492 -4.535 -10.457 1.00 0.00 N ATOM 0 H GLN A 533 3.520 -4.233 -10.810 1.00 0.00 H new ATOM 0 HA GLN A 533 2.660 -1.575 -10.218 1.00 0.00 H new ATOM 0 HB2 GLN A 533 1.978 -2.443 -12.297 1.00 0.00 H new ATOM 0 HB3 GLN A 533 1.466 -3.972 -11.610 1.00 0.00 H new ATOM 0 HG2 GLN A 533 0.033 -1.717 -10.381 1.00 0.00 H new ATOM 0 HG3 GLN A 533 -0.165 -1.722 -12.122 1.00 0.00 H new ATOM 0 HE21 GLN A 533 0.449 -4.529 -10.064 1.00 0.00 H new ATOM 0 HE22 GLN A 533 -1.096 -5.345 -10.320 1.00 0.00 H new ATOM 80 N ASP A 534 1.455 -4.075 -8.476 1.00 0.00 N ATOM 81 CA ASP A 534 0.706 -4.418 -7.279 1.00 0.00 C ATOM 82 C ASP A 534 1.390 -3.798 -6.060 1.00 0.00 C ATOM 83 O ASP A 534 0.722 -3.346 -5.131 1.00 0.00 O ATOM 84 CB ASP A 534 0.658 -5.934 -7.075 1.00 0.00 C ATOM 85 CG ASP A 534 -0.558 -6.444 -6.299 1.00 0.00 C ATOM 86 OD1 ASP A 534 -1.681 -6.057 -6.687 1.00 0.00 O ATOM 87 OD2 ASP A 534 -0.336 -7.208 -5.335 1.00 0.00 O ATOM 0 H ASP A 534 1.910 -4.864 -8.935 1.00 0.00 H new ATOM 0 HA ASP A 534 -0.309 -4.038 -7.395 1.00 0.00 H new ATOM 0 HB2 ASP A 534 0.676 -6.418 -8.052 1.00 0.00 H new ATOM 0 HB3 ASP A 534 1.561 -6.244 -6.550 1.00 0.00 H new ATOM 92 N HIS A 535 2.715 -3.796 -6.101 1.00 0.00 N ATOM 93 CA HIS A 535 3.497 -3.239 -5.011 1.00 0.00 C ATOM 94 C HIS A 535 3.431 -1.712 -5.060 1.00 0.00 C ATOM 95 O HIS A 535 3.570 -1.047 -4.034 1.00 0.00 O ATOM 96 CB HIS A 535 4.931 -3.772 -5.043 1.00 0.00 C ATOM 97 CG HIS A 535 5.063 -5.208 -4.595 1.00 0.00 C ATOM 98 ND1 HIS A 535 3.970 -6.003 -4.295 1.00 0.00 N ATOM 99 CD2 HIS A 535 6.168 -5.983 -4.399 1.00 0.00 C ATOM 100 CE1 HIS A 535 4.410 -7.200 -3.936 1.00 0.00 C ATOM 101 NE2 HIS A 535 5.772 -7.185 -4.001 1.00 0.00 N ATOM 0 H HIS A 535 3.266 -4.172 -6.873 1.00 0.00 H new ATOM 0 HA HIS A 535 3.075 -3.556 -4.057 1.00 0.00 H new ATOM 0 HB2 HIS A 535 5.319 -3.682 -6.058 1.00 0.00 H new ATOM 0 HB3 HIS A 535 5.555 -3.145 -4.406 1.00 0.00 H new ATOM 0 HD2 HIS A 535 7.192 -5.671 -4.543 1.00 0.00 H new ATOM 0 HE1 HIS A 535 3.798 -8.040 -3.643 1.00 0.00 H new ATOM 0 HE2 HIS A 535 6.386 -7.969 -3.780 1.00 0.00 H new ATOM 109 N GLU A 536 3.218 -1.199 -6.263 1.00 0.00 N ATOM 110 CA GLU A 536 3.131 0.238 -6.460 1.00 0.00 C ATOM 111 C GLU A 536 1.682 0.707 -6.319 1.00 0.00 C ATOM 112 O GLU A 536 1.366 1.858 -6.616 1.00 0.00 O ATOM 113 CB GLU A 536 3.708 0.641 -7.818 1.00 0.00 C ATOM 114 CG GLU A 536 4.290 2.055 -7.769 1.00 0.00 C ATOM 115 CD GLU A 536 5.654 2.112 -8.461 1.00 0.00 C ATOM 116 OE1 GLU A 536 5.691 1.788 -9.668 1.00 0.00 O ATOM 117 OE2 GLU A 536 6.627 2.477 -7.768 1.00 0.00 O ATOM 0 H GLU A 536 3.103 -1.753 -7.112 1.00 0.00 H new ATOM 0 HA GLU A 536 3.727 0.727 -5.689 1.00 0.00 H new ATOM 0 HB2 GLU A 536 4.484 -0.066 -8.111 1.00 0.00 H new ATOM 0 HB3 GLU A 536 2.928 0.591 -8.578 1.00 0.00 H new ATOM 0 HG2 GLU A 536 3.604 2.751 -8.252 1.00 0.00 H new ATOM 0 HG3 GLU A 536 4.391 2.375 -6.732 1.00 0.00 H new ATOM 124 N LYS A 537 0.838 -0.209 -5.867 1.00 0.00 N ATOM 125 CA LYS A 537 -0.571 0.096 -5.683 1.00 0.00 C ATOM 126 C LYS A 537 -0.730 1.057 -4.503 1.00 0.00 C ATOM 127 O LYS A 537 -1.726 1.772 -4.411 1.00 0.00 O ATOM 128 CB LYS A 537 -1.384 -1.192 -5.542 1.00 0.00 C ATOM 129 CG LYS A 537 -2.790 -0.898 -5.016 1.00 0.00 C ATOM 130 CD LYS A 537 -3.845 -1.677 -5.805 1.00 0.00 C ATOM 131 CE LYS A 537 -5.174 -1.720 -5.048 1.00 0.00 C ATOM 132 NZ LYS A 537 -6.198 -2.436 -5.841 1.00 0.00 N ATOM 0 H LYS A 537 1.103 -1.163 -5.623 1.00 0.00 H new ATOM 0 HA LYS A 537 -0.970 0.602 -6.562 1.00 0.00 H new ATOM 0 HB2 LYS A 537 -1.451 -1.692 -6.508 1.00 0.00 H new ATOM 0 HB3 LYS A 537 -0.874 -1.876 -4.864 1.00 0.00 H new ATOM 0 HG2 LYS A 537 -2.850 -1.164 -3.961 1.00 0.00 H new ATOM 0 HG3 LYS A 537 -2.993 0.171 -5.088 1.00 0.00 H new ATOM 0 HD2 LYS A 537 -3.992 -1.212 -6.780 1.00 0.00 H new ATOM 0 HD3 LYS A 537 -3.493 -2.692 -5.986 1.00 0.00 H new ATOM 0 HE2 LYS A 537 -5.036 -2.216 -4.087 1.00 0.00 H new ATOM 0 HE3 LYS A 537 -5.512 -0.706 -4.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 537 -7.094 -2.456 -5.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 537 -6.341 -1.946 -6.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 537 -5.880 -3.410 -6.021 1.00 0.00 H new ATOM 146 N ALA A 538 0.266 1.041 -3.630 1.00 0.00 N ATOM 147 CA ALA A 538 0.249 1.902 -2.459 1.00 0.00 C ATOM 148 C ALA A 538 0.250 3.365 -2.908 1.00 0.00 C ATOM 149 O ALA A 538 -0.347 4.219 -2.253 1.00 0.00 O ATOM 150 CB ALA A 538 1.441 1.567 -1.561 1.00 0.00 C ATOM 0 H ALA A 538 1.090 0.446 -3.710 1.00 0.00 H new ATOM 0 HA ALA A 538 -0.656 1.737 -1.874 1.00 0.00 H new ATOM 0 HB1 ALA A 538 1.428 2.213 -0.683 1.00 0.00 H new ATOM 0 HB2 ALA A 538 1.378 0.525 -1.246 1.00 0.00 H new ATOM 0 HB3 ALA A 538 2.368 1.724 -2.113 1.00 0.00 H new ATOM 156 N ALA A 539 0.926 3.610 -4.020 1.00 0.00 N ATOM 157 CA ALA A 539 1.012 4.954 -4.563 1.00 0.00 C ATOM 158 C ALA A 539 -0.398 5.484 -4.828 1.00 0.00 C ATOM 159 O ALA A 539 -0.669 6.667 -4.624 1.00 0.00 O ATOM 160 CB ALA A 539 1.876 4.941 -5.826 1.00 0.00 C ATOM 0 H ALA A 539 1.420 2.900 -4.560 1.00 0.00 H new ATOM 0 HA ALA A 539 1.488 5.626 -3.849 1.00 0.00 H new ATOM 0 HB1 ALA A 539 1.940 5.950 -6.233 1.00 0.00 H new ATOM 0 HB2 ALA A 539 2.876 4.585 -5.579 1.00 0.00 H new ATOM 0 HB3 ALA A 539 1.428 4.279 -6.567 1.00 0.00 H new ATOM 166 N LEU A 540 -1.260 4.584 -5.277 1.00 0.00 N ATOM 167 CA LEU A 540 -2.636 4.946 -5.572 1.00 0.00 C ATOM 168 C LEU A 540 -3.364 5.270 -4.266 1.00 0.00 C ATOM 169 O LEU A 540 -4.243 6.130 -4.238 1.00 0.00 O ATOM 170 CB LEU A 540 -3.313 3.851 -6.398 1.00 0.00 C ATOM 171 CG LEU A 540 -4.817 3.677 -6.176 1.00 0.00 C ATOM 172 CD1 LEU A 540 -5.569 4.974 -6.480 1.00 0.00 C ATOM 173 CD2 LEU A 540 -5.358 2.498 -6.987 1.00 0.00 C ATOM 0 H LEU A 540 -1.032 3.604 -5.444 1.00 0.00 H new ATOM 0 HA LEU A 540 -2.670 5.844 -6.188 1.00 0.00 H new ATOM 0 HB2 LEU A 540 -3.144 4.063 -7.454 1.00 0.00 H new ATOM 0 HB3 LEU A 540 -2.822 2.903 -6.180 1.00 0.00 H new ATOM 0 HG LEU A 540 -4.983 3.447 -5.123 1.00 0.00 H new ATOM 0 HD11 LEU A 540 -6.636 4.823 -6.314 1.00 0.00 H new ATOM 0 HD12 LEU A 540 -5.208 5.766 -5.824 1.00 0.00 H new ATOM 0 HD13 LEU A 540 -5.400 5.258 -7.519 1.00 0.00 H new ATOM 0 HD21 LEU A 540 -6.429 2.396 -6.811 1.00 0.00 H new ATOM 0 HD22 LEU A 540 -5.180 2.674 -8.048 1.00 0.00 H new ATOM 0 HD23 LEU A 540 -4.852 1.583 -6.681 1.00 0.00 H new ATOM 185 N ILE A 541 -2.970 4.565 -3.215 1.00 0.00 N ATOM 186 CA ILE A 541 -3.575 4.767 -1.909 1.00 0.00 C ATOM 187 C ILE A 541 -2.839 5.894 -1.181 1.00 0.00 C ATOM 188 O ILE A 541 -3.370 6.478 -0.237 1.00 0.00 O ATOM 189 CB ILE A 541 -3.614 3.452 -1.128 1.00 0.00 C ATOM 190 CG1 ILE A 541 -4.009 2.286 -2.036 1.00 0.00 C ATOM 191 CG2 ILE A 541 -4.531 3.566 0.091 1.00 0.00 C ATOM 192 CD1 ILE A 541 -5.480 2.383 -2.444 1.00 0.00 C ATOM 0 H ILE A 541 -2.240 3.854 -3.241 1.00 0.00 H new ATOM 0 HA ILE A 541 -4.614 5.079 -2.013 1.00 0.00 H new ATOM 0 HB ILE A 541 -2.610 3.245 -0.757 1.00 0.00 H new ATOM 0 HG12 ILE A 541 -3.380 2.285 -2.926 1.00 0.00 H new ATOM 0 HG13 ILE A 541 -3.833 1.342 -1.520 1.00 0.00 H new ATOM 0 HG21 ILE A 541 -4.541 2.618 0.629 1.00 0.00 H new ATOM 0 HG22 ILE A 541 -4.164 4.353 0.750 1.00 0.00 H new ATOM 0 HG23 ILE A 541 -5.542 3.808 -0.236 1.00 0.00 H new ATOM 0 HD11 ILE A 541 -5.735 1.542 -3.089 1.00 0.00 H new ATOM 0 HD12 ILE A 541 -6.107 2.360 -1.553 1.00 0.00 H new ATOM 0 HD13 ILE A 541 -5.648 3.316 -2.981 1.00 0.00 H new ATOM 204 N MET A 542 -1.629 6.165 -1.647 1.00 0.00 N ATOM 205 CA MET A 542 -0.815 7.212 -1.051 1.00 0.00 C ATOM 206 C MET A 542 -1.536 8.561 -1.099 1.00 0.00 C ATOM 207 O MET A 542 -1.410 9.369 -0.181 1.00 0.00 O ATOM 208 CB MET A 542 0.513 7.315 -1.803 1.00 0.00 C ATOM 209 CG MET A 542 1.591 6.462 -1.132 1.00 0.00 C ATOM 210 SD MET A 542 3.175 6.765 -1.897 1.00 0.00 S ATOM 211 CE MET A 542 3.601 5.105 -2.395 1.00 0.00 C ATOM 0 H MET A 542 -1.192 5.678 -2.430 1.00 0.00 H new ATOM 0 HA MET A 542 -0.633 6.956 -0.007 1.00 0.00 H new ATOM 0 HB2 MET A 542 0.377 6.990 -2.834 1.00 0.00 H new ATOM 0 HB3 MET A 542 0.836 8.355 -1.837 1.00 0.00 H new ATOM 0 HG2 MET A 542 1.641 6.696 -0.068 1.00 0.00 H new ATOM 0 HG3 MET A 542 1.334 5.406 -1.215 1.00 0.00 H new ATOM 0 HE1 MET A 542 4.605 4.866 -2.044 1.00 0.00 H new ATOM 0 HE2 MET A 542 2.889 4.402 -1.964 1.00 0.00 H new ATOM 0 HE3 MET A 542 3.570 5.032 -3.482 1.00 0.00 H new ATOM 221 N GLN A 543 -2.275 8.762 -2.180 1.00 0.00 N ATOM 222 CA GLN A 543 -3.016 9.999 -2.360 1.00 0.00 C ATOM 223 C GLN A 543 -4.084 10.141 -1.274 1.00 0.00 C ATOM 224 O GLN A 543 -4.201 11.193 -0.646 1.00 0.00 O ATOM 225 CB GLN A 543 -3.641 10.066 -3.755 1.00 0.00 C ATOM 226 CG GLN A 543 -2.561 10.098 -4.839 1.00 0.00 C ATOM 227 CD GLN A 543 -2.982 9.273 -6.056 1.00 0.00 C ATOM 228 OE1 GLN A 543 -2.937 9.723 -7.189 1.00 0.00 O ATOM 229 NE2 GLN A 543 -3.393 8.043 -5.761 1.00 0.00 N ATOM 0 H GLN A 543 -2.377 8.089 -2.940 1.00 0.00 H new ATOM 0 HA GLN A 543 -2.320 10.833 -2.269 1.00 0.00 H new ATOM 0 HB2 GLN A 543 -4.290 9.204 -3.908 1.00 0.00 H new ATOM 0 HB3 GLN A 543 -4.267 10.954 -3.834 1.00 0.00 H new ATOM 0 HG2 GLN A 543 -2.374 11.129 -5.141 1.00 0.00 H new ATOM 0 HG3 GLN A 543 -1.626 9.709 -4.437 1.00 0.00 H new ATOM 0 HE21 GLN A 543 -3.406 7.729 -4.791 1.00 0.00 H new ATOM 0 HE22 GLN A 543 -3.695 7.414 -6.505 1.00 0.00 H new ATOM 238 N VAL A 544 -4.836 9.067 -1.084 1.00 0.00 N ATOM 239 CA VAL A 544 -5.891 9.059 -0.085 1.00 0.00 C ATOM 240 C VAL A 544 -5.264 9.026 1.311 1.00 0.00 C ATOM 241 O VAL A 544 -5.797 9.617 2.249 1.00 0.00 O ATOM 242 CB VAL A 544 -6.844 7.890 -0.340 1.00 0.00 C ATOM 243 CG1 VAL A 544 -8.037 7.937 0.618 1.00 0.00 C ATOM 244 CG2 VAL A 544 -7.311 7.871 -1.797 1.00 0.00 C ATOM 0 H VAL A 544 -4.736 8.196 -1.605 1.00 0.00 H new ATOM 0 HA VAL A 544 -6.488 9.968 -0.152 1.00 0.00 H new ATOM 0 HB VAL A 544 -6.299 6.965 -0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 544 -8.699 7.095 0.416 1.00 0.00 H new ATOM 0 HG12 VAL A 544 -7.680 7.879 1.646 1.00 0.00 H new ATOM 0 HG13 VAL A 544 -8.582 8.870 0.475 1.00 0.00 H new ATOM 0 HG21 VAL A 544 -7.987 7.030 -1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 544 -7.831 8.802 -2.025 1.00 0.00 H new ATOM 0 HG23 VAL A 544 -6.448 7.768 -2.454 1.00 0.00 H new ATOM 254 N LEU A 545 -4.141 8.329 1.404 1.00 0.00 N ATOM 255 CA LEU A 545 -3.437 8.211 2.669 1.00 0.00 C ATOM 256 C LEU A 545 -3.186 9.608 3.240 1.00 0.00 C ATOM 257 O LEU A 545 -3.986 10.115 4.025 1.00 0.00 O ATOM 258 CB LEU A 545 -2.164 7.379 2.498 1.00 0.00 C ATOM 259 CG LEU A 545 -2.161 6.010 3.183 1.00 0.00 C ATOM 260 CD1 LEU A 545 -2.249 6.157 4.703 1.00 0.00 C ATOM 261 CD2 LEU A 545 -3.272 5.117 2.628 1.00 0.00 C ATOM 0 H LEU A 545 -3.702 7.840 0.624 1.00 0.00 H new ATOM 0 HA LEU A 545 -4.046 7.674 3.396 1.00 0.00 H new ATOM 0 HB2 LEU A 545 -1.991 7.230 1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 545 -1.322 7.956 2.880 1.00 0.00 H new ATOM 0 HG LEU A 545 -1.213 5.520 2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 545 -2.245 5.170 5.165 1.00 0.00 H new ATOM 0 HD12 LEU A 545 -1.394 6.730 5.063 1.00 0.00 H new ATOM 0 HD13 LEU A 545 -3.170 6.677 4.966 1.00 0.00 H new ATOM 0 HD21 LEU A 545 -3.248 4.151 3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 545 -4.239 5.591 2.798 1.00 0.00 H new ATOM 0 HD23 LEU A 545 -3.122 4.972 1.558 1.00 0.00 H new ATOM 273 N GLN A 546 -2.070 10.191 2.825 1.00 0.00 N ATOM 274 CA GLN A 546 -1.704 11.519 3.286 1.00 0.00 C ATOM 275 C GLN A 546 -1.977 12.554 2.192 1.00 0.00 C ATOM 276 O GLN A 546 -2.308 13.701 2.487 1.00 0.00 O ATOM 277 CB GLN A 546 -0.240 11.562 3.728 1.00 0.00 C ATOM 278 CG GLN A 546 0.698 11.322 2.543 1.00 0.00 C ATOM 279 CD GLN A 546 0.910 9.826 2.305 1.00 0.00 C ATOM 280 OE1 GLN A 546 1.219 9.066 3.208 1.00 0.00 O ATOM 281 NE2 GLN A 546 0.728 9.447 1.043 1.00 0.00 N ATOM 0 H GLN A 546 -1.408 9.768 2.175 1.00 0.00 H new ATOM 0 HA GLN A 546 -2.318 11.764 4.153 1.00 0.00 H new ATOM 0 HB2 GLN A 546 -0.021 12.530 4.180 1.00 0.00 H new ATOM 0 HB3 GLN A 546 -0.065 10.806 4.494 1.00 0.00 H new ATOM 0 HG2 GLN A 546 0.281 11.781 1.646 1.00 0.00 H new ATOM 0 HG3 GLN A 546 1.658 11.803 2.731 1.00 0.00 H new ATOM 0 HE21 GLN A 546 0.470 10.135 0.336 1.00 0.00 H new ATOM 0 HE22 GLN A 546 0.847 8.468 0.782 1.00 0.00 H new ATOM 290 N LEU A 547 -1.828 12.111 0.952 1.00 0.00 N ATOM 291 CA LEU A 547 -2.054 12.985 -0.187 1.00 0.00 C ATOM 292 C LEU A 547 -0.753 13.712 -0.533 1.00 0.00 C ATOM 293 O LEU A 547 -0.763 14.909 -0.815 1.00 0.00 O ATOM 294 CB LEU A 547 -3.231 13.925 0.084 1.00 0.00 C ATOM 295 CG LEU A 547 -2.870 15.316 0.609 1.00 0.00 C ATOM 296 CD1 LEU A 547 -2.872 16.346 -0.522 1.00 0.00 C ATOM 297 CD2 LEU A 547 -3.795 15.725 1.758 1.00 0.00 C ATOM 0 H LEU A 547 -1.554 11.159 0.711 1.00 0.00 H new ATOM 0 HA LEU A 547 -2.337 12.403 -1.064 1.00 0.00 H new ATOM 0 HB2 LEU A 547 -3.797 14.043 -0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 547 -3.894 13.447 0.805 1.00 0.00 H new ATOM 0 HG LEU A 547 -1.857 15.278 1.009 1.00 0.00 H new ATOM 0 HD11 LEU A 547 -2.612 17.326 -0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 547 -2.142 16.058 -1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 547 -3.863 16.389 -0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 547 -3.517 16.717 2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 547 -4.827 15.741 1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 547 -3.701 15.008 2.574 1.00 0.00 H new ATOM 309 N THR A 548 0.336 12.958 -0.499 1.00 0.00 N ATOM 310 CA THR A 548 1.642 13.516 -0.806 1.00 0.00 C ATOM 311 C THR A 548 2.525 12.465 -1.482 1.00 0.00 C ATOM 312 O THR A 548 3.138 12.734 -2.514 1.00 0.00 O ATOM 313 CB THR A 548 2.237 14.066 0.491 1.00 0.00 C ATOM 314 OG1 THR A 548 1.536 15.288 0.704 1.00 0.00 O ATOM 315 CG2 THR A 548 3.696 14.497 0.329 1.00 0.00 C ATOM 0 H THR A 548 0.341 11.966 -0.264 1.00 0.00 H new ATOM 0 HA THR A 548 1.564 14.337 -1.519 1.00 0.00 H new ATOM 0 HB THR A 548 2.167 13.309 1.272 1.00 0.00 H new ATOM 0 HG1 THR A 548 0.767 15.334 0.099 1.00 0.00 H new ATOM 0 HG21 THR A 548 4.070 14.880 1.279 1.00 0.00 H new ATOM 0 HG22 THR A 548 4.296 13.641 0.021 1.00 0.00 H new ATOM 0 HG23 THR A 548 3.763 15.278 -0.428 1.00 0.00 H new ATOM 323 N ALA A 549 2.563 11.289 -0.872 1.00 0.00 N ATOM 324 CA ALA A 549 3.361 10.197 -1.402 1.00 0.00 C ATOM 325 C ALA A 549 4.777 10.281 -0.830 1.00 0.00 C ATOM 326 O ALA A 549 5.423 9.258 -0.609 1.00 0.00 O ATOM 327 CB ALA A 549 3.346 10.248 -2.931 1.00 0.00 C ATOM 0 H ALA A 549 2.054 11.069 -0.016 1.00 0.00 H new ATOM 0 HA ALA A 549 2.942 9.236 -1.104 1.00 0.00 H new ATOM 0 HB1 ALA A 549 3.945 9.428 -3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 549 2.320 10.154 -3.288 1.00 0.00 H new ATOM 0 HB3 ALA A 549 3.762 11.198 -3.267 1.00 0.00 H new ATOM 333 N ASP A 550 5.219 11.511 -0.607 1.00 0.00 N ATOM 334 CA ASP A 550 6.547 11.742 -0.065 1.00 0.00 C ATOM 335 C ASP A 550 6.659 11.067 1.303 1.00 0.00 C ATOM 336 O ASP A 550 7.697 10.495 1.634 1.00 0.00 O ATOM 337 CB ASP A 550 6.812 13.237 0.122 1.00 0.00 C ATOM 338 CG ASP A 550 8.288 13.641 0.090 1.00 0.00 C ATOM 339 OD1 ASP A 550 9.123 12.763 0.398 1.00 0.00 O ATOM 340 OD2 ASP A 550 8.547 14.818 -0.240 1.00 0.00 O ATOM 0 H ASP A 550 4.681 12.357 -0.792 1.00 0.00 H new ATOM 0 HA ASP A 550 7.274 11.332 -0.766 1.00 0.00 H new ATOM 0 HB2 ASP A 550 6.284 13.785 -0.658 1.00 0.00 H new ATOM 0 HB3 ASP A 550 6.386 13.550 1.075 1.00 0.00 H new ATOM 345 N GLN A 551 5.577 11.156 2.062 1.00 0.00 N ATOM 346 CA GLN A 551 5.541 10.561 3.387 1.00 0.00 C ATOM 347 C GLN A 551 5.658 9.038 3.289 1.00 0.00 C ATOM 348 O GLN A 551 6.391 8.417 4.057 1.00 0.00 O ATOM 349 CB GLN A 551 4.270 10.966 4.136 1.00 0.00 C ATOM 350 CG GLN A 551 4.331 12.433 4.565 1.00 0.00 C ATOM 351 CD GLN A 551 3.398 12.697 5.749 1.00 0.00 C ATOM 352 OE1 GLN A 551 3.819 13.054 6.837 1.00 0.00 O ATOM 353 NE2 GLN A 551 2.111 12.503 5.477 1.00 0.00 N ATOM 0 H GLN A 551 4.718 11.631 1.785 1.00 0.00 H new ATOM 0 HA GLN A 551 6.393 10.935 3.955 1.00 0.00 H new ATOM 0 HB2 GLN A 551 3.401 10.806 3.498 1.00 0.00 H new ATOM 0 HB3 GLN A 551 4.143 10.332 5.013 1.00 0.00 H new ATOM 0 HG2 GLN A 551 5.354 12.694 4.838 1.00 0.00 H new ATOM 0 HG3 GLN A 551 4.052 13.072 3.728 1.00 0.00 H new ATOM 0 HE21 GLN A 551 1.826 12.204 4.544 1.00 0.00 H new ATOM 0 HE22 GLN A 551 1.408 12.653 6.201 1.00 0.00 H new ATOM 362 N ILE A 552 4.924 8.481 2.337 1.00 0.00 N ATOM 363 CA ILE A 552 4.935 7.043 2.128 1.00 0.00 C ATOM 364 C ILE A 552 6.244 6.642 1.444 1.00 0.00 C ATOM 365 O ILE A 552 6.699 5.508 1.583 1.00 0.00 O ATOM 366 CB ILE A 552 3.684 6.602 1.366 1.00 0.00 C ATOM 367 CG1 ILE A 552 2.473 6.525 2.299 1.00 0.00 C ATOM 368 CG2 ILE A 552 3.926 5.282 0.631 1.00 0.00 C ATOM 369 CD1 ILE A 552 1.900 5.107 2.338 1.00 0.00 C ATOM 0 H ILE A 552 4.318 9.000 1.702 1.00 0.00 H new ATOM 0 HA ILE A 552 4.899 6.519 3.083 1.00 0.00 H new ATOM 0 HB ILE A 552 3.461 7.355 0.610 1.00 0.00 H new ATOM 0 HG12 ILE A 552 2.764 6.831 3.304 1.00 0.00 H new ATOM 0 HG13 ILE A 552 1.705 7.222 1.963 1.00 0.00 H new ATOM 0 HG21 ILE A 552 3.021 4.991 0.098 1.00 0.00 H new ATOM 0 HG22 ILE A 552 4.742 5.406 -0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 552 4.187 4.507 1.352 1.00 0.00 H new ATOM 0 HD11 ILE A 552 1.041 5.080 3.008 1.00 0.00 H new ATOM 0 HD12 ILE A 552 1.588 4.813 1.336 1.00 0.00 H new ATOM 0 HD13 ILE A 552 2.663 4.416 2.698 1.00 0.00 H new ATOM 381 N ALA A 553 6.814 7.596 0.722 1.00 0.00 N ATOM 382 CA ALA A 553 8.061 7.356 0.017 1.00 0.00 C ATOM 383 C ALA A 553 9.142 6.957 1.023 1.00 0.00 C ATOM 384 O ALA A 553 10.130 6.320 0.659 1.00 0.00 O ATOM 385 CB ALA A 553 8.443 8.603 -0.785 1.00 0.00 C ATOM 0 H ALA A 553 6.435 8.536 0.610 1.00 0.00 H new ATOM 0 HA ALA A 553 7.949 6.534 -0.691 1.00 0.00 H new ATOM 0 HB1 ALA A 553 9.379 8.423 -1.314 1.00 0.00 H new ATOM 0 HB2 ALA A 553 7.656 8.827 -1.505 1.00 0.00 H new ATOM 0 HB3 ALA A 553 8.566 9.448 -0.107 1.00 0.00 H new ATOM 391 N MET A 554 8.919 7.347 2.269 1.00 0.00 N ATOM 392 CA MET A 554 9.862 7.038 3.331 1.00 0.00 C ATOM 393 C MET A 554 9.717 5.585 3.787 1.00 0.00 C ATOM 394 O MET A 554 10.560 5.074 4.522 1.00 0.00 O ATOM 395 CB MET A 554 9.619 7.972 4.518 1.00 0.00 C ATOM 396 CG MET A 554 10.168 9.372 4.235 1.00 0.00 C ATOM 397 SD MET A 554 10.886 10.058 5.718 1.00 0.00 S ATOM 398 CE MET A 554 12.537 9.390 5.601 1.00 0.00 C ATOM 0 H MET A 554 8.099 7.875 2.568 1.00 0.00 H new ATOM 0 HA MET A 554 10.872 7.180 2.947 1.00 0.00 H new ATOM 0 HB2 MET A 554 8.551 8.032 4.726 1.00 0.00 H new ATOM 0 HB3 MET A 554 10.095 7.564 5.410 1.00 0.00 H new ATOM 0 HG2 MET A 554 10.919 9.325 3.446 1.00 0.00 H new ATOM 0 HG3 MET A 554 9.368 10.019 3.875 1.00 0.00 H new ATOM 0 HE1 MET A 554 13.126 9.723 6.456 1.00 0.00 H new ATOM 0 HE2 MET A 554 12.489 8.301 5.595 1.00 0.00 H new ATOM 0 HE3 MET A 554 13.006 9.738 4.680 1.00 0.00 H new ATOM 408 N LEU A 555 8.641 4.960 3.331 1.00 0.00 N ATOM 409 CA LEU A 555 8.374 3.575 3.683 1.00 0.00 C ATOM 410 C LEU A 555 9.102 2.655 2.701 1.00 0.00 C ATOM 411 O LEU A 555 9.391 3.049 1.572 1.00 0.00 O ATOM 412 CB LEU A 555 6.867 3.323 3.761 1.00 0.00 C ATOM 413 CG LEU A 555 6.103 4.142 4.803 1.00 0.00 C ATOM 414 CD1 LEU A 555 4.624 4.260 4.431 1.00 0.00 C ATOM 415 CD2 LEU A 555 6.296 3.561 6.206 1.00 0.00 C ATOM 0 H LEU A 555 7.944 5.387 2.721 1.00 0.00 H new ATOM 0 HA LEU A 555 8.762 3.352 4.677 1.00 0.00 H new ATOM 0 HB2 LEU A 555 6.434 3.524 2.781 1.00 0.00 H new ATOM 0 HB3 LEU A 555 6.706 2.265 3.970 1.00 0.00 H new ATOM 0 HG LEU A 555 6.514 5.151 4.812 1.00 0.00 H new ATOM 0 HD11 LEU A 555 4.104 4.847 5.188 1.00 0.00 H new ATOM 0 HD12 LEU A 555 4.530 4.752 3.463 1.00 0.00 H new ATOM 0 HD13 LEU A 555 4.182 3.265 4.376 1.00 0.00 H new ATOM 0 HD21 LEU A 555 5.743 4.162 6.928 1.00 0.00 H new ATOM 0 HD22 LEU A 555 5.928 2.535 6.229 1.00 0.00 H new ATOM 0 HD23 LEU A 555 7.356 3.572 6.462 1.00 0.00 H new ATOM 427 N PRO A 556 9.385 1.413 3.179 1.00 0.00 N ATOM 428 CA PRO A 556 10.073 0.434 2.356 1.00 0.00 C ATOM 429 C PRO A 556 9.135 -0.150 1.297 1.00 0.00 C ATOM 430 O PRO A 556 7.939 0.140 1.295 1.00 0.00 O ATOM 431 CB PRO A 556 10.587 -0.610 3.334 1.00 0.00 C ATOM 432 CG PRO A 556 9.776 -0.425 4.606 1.00 0.00 C ATOM 433 CD PRO A 556 9.058 0.911 4.510 1.00 0.00 C ATOM 0 HA PRO A 556 10.895 0.867 1.787 1.00 0.00 H new ATOM 0 HB2 PRO A 556 10.461 -1.616 2.933 1.00 0.00 H new ATOM 0 HB3 PRO A 556 11.651 -0.474 3.526 1.00 0.00 H new ATOM 0 HG2 PRO A 556 9.058 -1.237 4.723 1.00 0.00 H new ATOM 0 HG3 PRO A 556 10.427 -0.447 5.480 1.00 0.00 H new ATOM 0 HD2 PRO A 556 7.982 0.792 4.635 1.00 0.00 H new ATOM 0 HD3 PRO A 556 9.395 1.598 5.286 1.00 0.00 H new ATOM 441 N PRO A 557 9.727 -0.983 0.400 1.00 0.00 N ATOM 442 CA PRO A 557 8.958 -1.609 -0.661 1.00 0.00 C ATOM 443 C PRO A 557 8.100 -2.752 -0.115 1.00 0.00 C ATOM 444 O PRO A 557 6.941 -2.901 -0.499 1.00 0.00 O ATOM 445 CB PRO A 557 9.991 -2.074 -1.674 1.00 0.00 C ATOM 446 CG PRO A 557 11.317 -2.108 -0.932 1.00 0.00 C ATOM 447 CD PRO A 557 11.141 -1.348 0.373 1.00 0.00 C ATOM 0 HA PRO A 557 8.246 -0.926 -1.123 1.00 0.00 H new ATOM 0 HB2 PRO A 557 9.738 -3.059 -2.066 1.00 0.00 H new ATOM 0 HB3 PRO A 557 10.037 -1.394 -2.525 1.00 0.00 H new ATOM 0 HG2 PRO A 557 11.619 -3.137 -0.737 1.00 0.00 H new ATOM 0 HG3 PRO A 557 12.104 -1.654 -1.535 1.00 0.00 H new ATOM 0 HD2 PRO A 557 11.407 -1.966 1.230 1.00 0.00 H new ATOM 0 HD3 PRO A 557 11.779 -0.465 0.406 1.00 0.00 H new ATOM 455 N GLU A 558 8.702 -3.529 0.773 1.00 0.00 N ATOM 456 CA GLU A 558 8.007 -4.654 1.376 1.00 0.00 C ATOM 457 C GLU A 558 6.839 -4.160 2.232 1.00 0.00 C ATOM 458 O GLU A 558 6.014 -4.954 2.680 1.00 0.00 O ATOM 459 CB GLU A 558 8.967 -5.513 2.202 1.00 0.00 C ATOM 460 CG GLU A 558 8.356 -6.882 2.505 1.00 0.00 C ATOM 461 CD GLU A 558 9.447 -7.936 2.711 1.00 0.00 C ATOM 462 OE1 GLU A 558 10.268 -7.731 3.630 1.00 0.00 O ATOM 463 OE2 GLU A 558 9.434 -8.923 1.943 1.00 0.00 O ATOM 0 H GLU A 558 9.663 -3.402 1.090 1.00 0.00 H new ATOM 0 HA GLU A 558 7.608 -5.279 0.577 1.00 0.00 H new ATOM 0 HB2 GLU A 558 9.904 -5.641 1.660 1.00 0.00 H new ATOM 0 HB3 GLU A 558 9.206 -5.003 3.135 1.00 0.00 H new ATOM 0 HG2 GLU A 558 7.735 -6.817 3.398 1.00 0.00 H new ATOM 0 HG3 GLU A 558 7.705 -7.183 1.685 1.00 0.00 H new ATOM 470 N GLN A 559 6.807 -2.851 2.433 1.00 0.00 N ATOM 471 CA GLN A 559 5.754 -2.241 3.227 1.00 0.00 C ATOM 472 C GLN A 559 4.769 -1.498 2.322 1.00 0.00 C ATOM 473 O GLN A 559 3.572 -1.462 2.600 1.00 0.00 O ATOM 474 CB GLN A 559 6.339 -1.304 4.287 1.00 0.00 C ATOM 475 CG GLN A 559 6.558 -2.041 5.609 1.00 0.00 C ATOM 476 CD GLN A 559 5.813 -1.349 6.753 1.00 0.00 C ATOM 477 OE1 GLN A 559 4.603 -1.435 6.881 1.00 0.00 O ATOM 478 NE2 GLN A 559 6.601 -0.660 7.573 1.00 0.00 N ATOM 0 H GLN A 559 7.494 -2.196 2.060 1.00 0.00 H new ATOM 0 HA GLN A 559 5.214 -3.032 3.747 1.00 0.00 H new ATOM 0 HB2 GLN A 559 7.285 -0.895 3.933 1.00 0.00 H new ATOM 0 HB3 GLN A 559 5.666 -0.461 4.444 1.00 0.00 H new ATOM 0 HG2 GLN A 559 6.214 -3.071 5.517 1.00 0.00 H new ATOM 0 HG3 GLN A 559 7.624 -2.080 5.835 1.00 0.00 H new ATOM 0 HE21 GLN A 559 7.607 -0.630 7.408 1.00 0.00 H new ATOM 0 HE22 GLN A 559 6.199 -0.162 8.367 1.00 0.00 H new ATOM 487 N ARG A 560 5.311 -0.924 1.258 1.00 0.00 N ATOM 488 CA ARG A 560 4.494 -0.184 0.311 1.00 0.00 C ATOM 489 C ARG A 560 3.206 -0.952 0.008 1.00 0.00 C ATOM 490 O ARG A 560 2.109 -0.434 0.210 1.00 0.00 O ATOM 491 CB ARG A 560 5.252 0.062 -0.995 1.00 0.00 C ATOM 492 CG ARG A 560 5.038 1.492 -1.493 1.00 0.00 C ATOM 493 CD ARG A 560 6.316 2.321 -1.349 1.00 0.00 C ATOM 494 NE ARG A 560 7.448 1.623 -2.000 1.00 0.00 N ATOM 495 CZ ARG A 560 8.664 2.159 -2.169 1.00 0.00 C ATOM 496 NH1 ARG A 560 8.914 3.402 -1.735 1.00 0.00 N ATOM 497 NH2 ARG A 560 9.630 1.452 -2.771 1.00 0.00 N ATOM 0 H ARG A 560 6.305 -0.956 1.031 1.00 0.00 H new ATOM 0 HA ARG A 560 4.250 0.777 0.763 1.00 0.00 H new ATOM 0 HB2 ARG A 560 6.316 -0.118 -0.841 1.00 0.00 H new ATOM 0 HB3 ARG A 560 4.916 -0.645 -1.753 1.00 0.00 H new ATOM 0 HG2 ARG A 560 4.728 1.474 -2.538 1.00 0.00 H new ATOM 0 HG3 ARG A 560 4.231 1.960 -0.929 1.00 0.00 H new ATOM 0 HD2 ARG A 560 6.175 3.303 -1.801 1.00 0.00 H new ATOM 0 HD3 ARG A 560 6.537 2.484 -0.294 1.00 0.00 H new ATOM 0 HE ARG A 560 7.292 0.674 -2.341 1.00 0.00 H new ATOM 0 HH11 ARG A 560 8.179 3.940 -1.276 1.00 0.00 H new ATOM 0 HH12 ARG A 560 9.840 3.810 -1.863 1.00 0.00 H new ATOM 0 HH21 ARG A 560 9.439 0.506 -3.101 1.00 0.00 H new ATOM 0 HH22 ARG A 560 10.556 1.860 -2.900 1.00 0.00 H new ATOM 511 N GLN A 561 3.382 -2.174 -0.472 1.00 0.00 N ATOM 512 CA GLN A 561 2.247 -3.018 -0.805 1.00 0.00 C ATOM 513 C GLN A 561 1.356 -3.218 0.423 1.00 0.00 C ATOM 514 O GLN A 561 0.146 -3.400 0.293 1.00 0.00 O ATOM 515 CB GLN A 561 2.710 -4.361 -1.372 1.00 0.00 C ATOM 516 CG GLN A 561 1.528 -5.159 -1.928 1.00 0.00 C ATOM 517 CD GLN A 561 1.490 -6.569 -1.335 1.00 0.00 C ATOM 518 OE1 GLN A 561 1.524 -7.566 -2.036 1.00 0.00 O ATOM 519 NE2 GLN A 561 1.418 -6.595 -0.007 1.00 0.00 N ATOM 0 H GLN A 561 4.294 -2.600 -0.638 1.00 0.00 H new ATOM 0 HA GLN A 561 1.661 -2.518 -1.577 1.00 0.00 H new ATOM 0 HB2 GLN A 561 3.443 -4.193 -2.161 1.00 0.00 H new ATOM 0 HB3 GLN A 561 3.207 -4.937 -0.592 1.00 0.00 H new ATOM 0 HG2 GLN A 561 0.596 -4.640 -1.702 1.00 0.00 H new ATOM 0 HG3 GLN A 561 1.604 -5.219 -3.014 1.00 0.00 H new ATOM 0 HE21 GLN A 561 1.393 -5.722 0.520 1.00 0.00 H new ATOM 0 HE22 GLN A 561 1.388 -7.488 0.485 1.00 0.00 H new ATOM 528 N SER A 562 1.989 -3.177 1.586 1.00 0.00 N ATOM 529 CA SER A 562 1.269 -3.352 2.836 1.00 0.00 C ATOM 530 C SER A 562 0.012 -2.479 2.843 1.00 0.00 C ATOM 531 O SER A 562 -1.019 -2.873 3.386 1.00 0.00 O ATOM 532 CB SER A 562 2.157 -3.014 4.035 1.00 0.00 C ATOM 533 OG SER A 562 1.744 -3.698 5.215 1.00 0.00 O ATOM 0 H SER A 562 2.992 -3.025 1.689 1.00 0.00 H new ATOM 0 HA SER A 562 0.977 -4.399 2.919 1.00 0.00 H new ATOM 0 HB2 SER A 562 3.190 -3.277 3.807 1.00 0.00 H new ATOM 0 HB3 SER A 562 2.133 -1.939 4.212 1.00 0.00 H new ATOM 0 HG SER A 562 2.337 -3.457 5.957 1.00 0.00 H new ATOM 539 N ILE A 563 0.140 -1.310 2.232 1.00 0.00 N ATOM 540 CA ILE A 563 -0.973 -0.378 2.161 1.00 0.00 C ATOM 541 C ILE A 563 -2.116 -1.015 1.369 1.00 0.00 C ATOM 542 O ILE A 563 -3.286 -0.816 1.692 1.00 0.00 O ATOM 543 CB ILE A 563 -0.510 0.967 1.599 1.00 0.00 C ATOM 544 CG1 ILE A 563 0.744 1.462 2.323 1.00 0.00 C ATOM 545 CG2 ILE A 563 -1.640 1.998 1.641 1.00 0.00 C ATOM 546 CD1 ILE A 563 0.526 1.494 3.837 1.00 0.00 C ATOM 0 H ILE A 563 0.997 -0.987 1.782 1.00 0.00 H new ATOM 0 HA ILE A 563 -1.356 -0.165 3.159 1.00 0.00 H new ATOM 0 HB ILE A 563 -0.243 0.825 0.552 1.00 0.00 H new ATOM 0 HG12 ILE A 563 1.586 0.811 2.087 1.00 0.00 H new ATOM 0 HG13 ILE A 563 1.003 2.459 1.968 1.00 0.00 H new ATOM 0 HG21 ILE A 563 -1.284 2.945 1.236 1.00 0.00 H new ATOM 0 HG22 ILE A 563 -2.480 1.641 1.045 1.00 0.00 H new ATOM 0 HG23 ILE A 563 -1.962 2.143 2.672 1.00 0.00 H new ATOM 0 HD11 ILE A 563 1.432 1.849 4.328 1.00 0.00 H new ATOM 0 HD12 ILE A 563 -0.301 2.165 4.071 1.00 0.00 H new ATOM 0 HD13 ILE A 563 0.291 0.491 4.192 1.00 0.00 H new ATOM 558 N LEU A 564 -1.738 -1.768 0.347 1.00 0.00 N ATOM 559 CA LEU A 564 -2.717 -2.435 -0.494 1.00 0.00 C ATOM 560 C LEU A 564 -3.432 -3.515 0.321 1.00 0.00 C ATOM 561 O LEU A 564 -4.640 -3.701 0.186 1.00 0.00 O ATOM 562 CB LEU A 564 -2.056 -2.964 -1.769 1.00 0.00 C ATOM 563 CG LEU A 564 -2.839 -4.031 -2.537 1.00 0.00 C ATOM 564 CD1 LEU A 564 -2.326 -4.160 -3.973 1.00 0.00 C ATOM 565 CD2 LEU A 564 -2.812 -5.370 -1.796 1.00 0.00 C ATOM 0 H LEU A 564 -0.767 -1.931 0.082 1.00 0.00 H new ATOM 0 HA LEU A 564 -3.478 -1.729 -0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 564 -1.876 -2.122 -2.438 1.00 0.00 H new ATOM 0 HB3 LEU A 564 -1.082 -3.376 -1.506 1.00 0.00 H new ATOM 0 HG LEU A 564 -3.881 -3.716 -2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 564 -2.899 -4.925 -4.497 1.00 0.00 H new ATOM 0 HD12 LEU A 564 -2.440 -3.206 -4.487 1.00 0.00 H new ATOM 0 HD13 LEU A 564 -1.273 -4.442 -3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 564 -3.376 -6.111 -2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 564 -1.780 -5.705 -1.687 1.00 0.00 H new ATOM 0 HD23 LEU A 564 -3.261 -5.249 -0.810 1.00 0.00 H new ATOM 577 N ILE A 565 -2.655 -4.198 1.148 1.00 0.00 N ATOM 578 CA ILE A 565 -3.199 -5.254 1.985 1.00 0.00 C ATOM 579 C ILE A 565 -4.200 -4.652 2.973 1.00 0.00 C ATOM 580 O ILE A 565 -5.304 -5.168 3.136 1.00 0.00 O ATOM 581 CB ILE A 565 -2.071 -6.041 2.656 1.00 0.00 C ATOM 582 CG1 ILE A 565 -1.058 -6.536 1.622 1.00 0.00 C ATOM 583 CG2 ILE A 565 -2.630 -7.184 3.505 1.00 0.00 C ATOM 584 CD1 ILE A 565 -1.643 -7.673 0.782 1.00 0.00 C ATOM 0 H ILE A 565 -1.653 -4.041 1.257 1.00 0.00 H new ATOM 0 HA ILE A 565 -3.744 -5.977 1.379 1.00 0.00 H new ATOM 0 HB ILE A 565 -1.540 -5.370 3.331 1.00 0.00 H new ATOM 0 HG12 ILE A 565 -0.765 -5.712 0.971 1.00 0.00 H new ATOM 0 HG13 ILE A 565 -0.155 -6.880 2.127 1.00 0.00 H new ATOM 0 HG21 ILE A 565 -1.808 -7.727 3.971 1.00 0.00 H new ATOM 0 HG22 ILE A 565 -3.281 -6.778 4.279 1.00 0.00 H new ATOM 0 HG23 ILE A 565 -3.200 -7.863 2.871 1.00 0.00 H new ATOM 0 HD11 ILE A 565 -0.903 -8.006 0.055 1.00 0.00 H new ATOM 0 HD12 ILE A 565 -1.913 -8.505 1.433 1.00 0.00 H new ATOM 0 HD13 ILE A 565 -2.531 -7.319 0.259 1.00 0.00 H new ATOM 596 N LEU A 566 -3.778 -3.567 3.606 1.00 0.00 N ATOM 597 CA LEU A 566 -4.624 -2.889 4.573 1.00 0.00 C ATOM 598 C LEU A 566 -5.817 -2.261 3.849 1.00 0.00 C ATOM 599 O LEU A 566 -6.918 -2.202 4.395 1.00 0.00 O ATOM 600 CB LEU A 566 -3.806 -1.888 5.392 1.00 0.00 C ATOM 601 CG LEU A 566 -3.727 -2.158 6.896 1.00 0.00 C ATOM 602 CD1 LEU A 566 -2.444 -2.912 7.251 1.00 0.00 C ATOM 603 CD2 LEU A 566 -3.869 -0.861 7.695 1.00 0.00 C ATOM 0 H LEU A 566 -2.862 -3.141 3.468 1.00 0.00 H new ATOM 0 HA LEU A 566 -5.026 -3.602 5.293 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -2.792 -1.865 4.993 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -4.229 -0.895 5.243 1.00 0.00 H new ATOM 0 HG LEU A 566 -4.564 -2.799 7.172 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -2.413 -3.091 8.326 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -2.425 -3.866 6.723 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -1.579 -2.317 6.957 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -3.809 -1.082 8.761 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -3.067 -0.175 7.421 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -4.832 -0.401 7.473 1.00 0.00 H new ATOM 615 N LYS A 567 -5.558 -1.808 2.632 1.00 0.00 N ATOM 616 CA LYS A 567 -6.596 -1.186 1.827 1.00 0.00 C ATOM 617 C LYS A 567 -7.713 -2.200 1.573 1.00 0.00 C ATOM 618 O LYS A 567 -8.893 -1.861 1.646 1.00 0.00 O ATOM 619 CB LYS A 567 -6.001 -0.594 0.548 1.00 0.00 C ATOM 620 CG LYS A 567 -5.929 0.932 0.633 1.00 0.00 C ATOM 621 CD LYS A 567 -7.316 1.557 0.463 1.00 0.00 C ATOM 622 CE LYS A 567 -7.569 2.627 1.526 1.00 0.00 C ATOM 623 NZ LYS A 567 -8.951 3.146 1.419 1.00 0.00 N ATOM 0 H LYS A 567 -4.644 -1.859 2.183 1.00 0.00 H new ATOM 0 HA LYS A 567 -7.041 -0.347 2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 567 -5.003 -1.000 0.385 1.00 0.00 H new ATOM 0 HB3 LYS A 567 -6.608 -0.886 -0.309 1.00 0.00 H new ATOM 0 HG2 LYS A 567 -5.509 1.227 1.595 1.00 0.00 H new ATOM 0 HG3 LYS A 567 -5.258 1.311 -0.138 1.00 0.00 H new ATOM 0 HD2 LYS A 567 -7.401 1.999 -0.530 1.00 0.00 H new ATOM 0 HD3 LYS A 567 -8.079 0.782 0.533 1.00 0.00 H new ATOM 0 HE2 LYS A 567 -7.408 2.207 2.519 1.00 0.00 H new ATOM 0 HE3 LYS A 567 -6.857 3.444 1.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 -9.107 3.872 2.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 -9.093 3.565 0.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 -9.626 2.367 1.556 1.00 0.00 H new ATOM 637 N GLU A 568 -7.302 -3.425 1.280 1.00 0.00 N ATOM 638 CA GLU A 568 -8.253 -4.491 1.014 1.00 0.00 C ATOM 639 C GLU A 568 -9.122 -4.746 2.247 1.00 0.00 C ATOM 640 O GLU A 568 -10.306 -5.058 2.123 1.00 0.00 O ATOM 641 CB GLU A 568 -7.536 -5.769 0.576 1.00 0.00 C ATOM 642 CG GLU A 568 -7.422 -6.760 1.736 1.00 0.00 C ATOM 643 CD GLU A 568 -8.741 -7.504 1.954 1.00 0.00 C ATOM 644 OE1 GLU A 568 -9.698 -7.191 1.212 1.00 0.00 O ATOM 645 OE2 GLU A 568 -8.763 -8.368 2.856 1.00 0.00 O ATOM 0 H GLU A 568 -6.322 -3.703 1.221 1.00 0.00 H new ATOM 0 HA GLU A 568 -8.900 -4.178 0.195 1.00 0.00 H new ATOM 0 HB2 GLU A 568 -8.079 -6.230 -0.249 1.00 0.00 H new ATOM 0 HB3 GLU A 568 -6.541 -5.523 0.204 1.00 0.00 H new ATOM 0 HG2 GLU A 568 -6.626 -7.476 1.530 1.00 0.00 H new ATOM 0 HG3 GLU A 568 -7.145 -6.229 2.647 1.00 0.00 H new ATOM 652 N GLN A 569 -8.502 -4.603 3.409 1.00 0.00 N ATOM 653 CA GLN A 569 -9.205 -4.813 4.663 1.00 0.00 C ATOM 654 C GLN A 569 -10.312 -3.771 4.833 1.00 0.00 C ATOM 655 O GLN A 569 -11.398 -4.087 5.317 1.00 0.00 O ATOM 656 CB GLN A 569 -8.235 -4.781 5.847 1.00 0.00 C ATOM 657 CG GLN A 569 -8.251 -6.111 6.604 1.00 0.00 C ATOM 658 CD GLN A 569 -7.106 -7.016 6.146 1.00 0.00 C ATOM 659 OE1 GLN A 569 -6.058 -7.097 6.766 1.00 0.00 O ATOM 660 NE2 GLN A 569 -7.363 -7.691 5.029 1.00 0.00 N ATOM 0 H GLN A 569 -7.520 -4.344 3.508 1.00 0.00 H new ATOM 0 HA GLN A 569 -9.665 -5.801 4.638 1.00 0.00 H new ATOM 0 HB2 GLN A 569 -7.226 -4.574 5.490 1.00 0.00 H new ATOM 0 HB3 GLN A 569 -8.507 -3.970 6.523 1.00 0.00 H new ATOM 0 HG2 GLN A 569 -8.166 -5.925 7.675 1.00 0.00 H new ATOM 0 HG3 GLN A 569 -9.204 -6.614 6.442 1.00 0.00 H new ATOM 0 HE21 GLN A 569 -8.261 -7.577 4.559 1.00 0.00 H new ATOM 0 HE22 GLN A 569 -6.662 -8.323 4.642 1.00 0.00 H new ATOM 669 N ILE A 570 -9.998 -2.550 4.425 1.00 0.00 N ATOM 670 CA ILE A 570 -10.953 -1.459 4.526 1.00 0.00 C ATOM 671 C ILE A 570 -12.203 -1.804 3.714 1.00 0.00 C ATOM 672 O ILE A 570 -13.323 -1.543 4.150 1.00 0.00 O ATOM 673 CB ILE A 570 -10.301 -0.136 4.120 1.00 0.00 C ATOM 674 CG1 ILE A 570 -9.208 0.265 5.113 1.00 0.00 C ATOM 675 CG2 ILE A 570 -11.351 0.963 3.948 1.00 0.00 C ATOM 676 CD1 ILE A 570 -8.405 1.459 4.593 1.00 0.00 C ATOM 0 H ILE A 570 -9.096 -2.292 4.024 1.00 0.00 H new ATOM 0 HA ILE A 570 -11.271 -1.326 5.560 1.00 0.00 H new ATOM 0 HB ILE A 570 -9.820 -0.276 3.152 1.00 0.00 H new ATOM 0 HG12 ILE A 570 -9.659 0.516 6.073 1.00 0.00 H new ATOM 0 HG13 ILE A 570 -8.541 -0.579 5.285 1.00 0.00 H new ATOM 0 HG21 ILE A 570 -10.861 1.893 3.659 1.00 0.00 H new ATOM 0 HG22 ILE A 570 -12.060 0.671 3.173 1.00 0.00 H new ATOM 0 HG23 ILE A 570 -11.882 1.110 4.889 1.00 0.00 H new ATOM 0 HD11 ILE A 570 -7.635 1.723 5.318 1.00 0.00 H new ATOM 0 HD12 ILE A 570 -7.936 1.197 3.645 1.00 0.00 H new ATOM 0 HD13 ILE A 570 -9.071 2.309 4.445 1.00 0.00 H new ATOM 688 N GLN A 571 -11.968 -2.385 2.546 1.00 0.00 N ATOM 689 CA GLN A 571 -13.061 -2.768 1.668 1.00 0.00 C ATOM 690 C GLN A 571 -13.971 -3.782 2.365 1.00 0.00 C ATOM 691 O GLN A 571 -15.183 -3.781 2.155 1.00 0.00 O ATOM 692 CB GLN A 571 -12.532 -3.324 0.345 1.00 0.00 C ATOM 693 CG GLN A 571 -12.582 -2.261 -0.755 1.00 0.00 C ATOM 694 CD GLN A 571 -11.800 -1.011 -0.345 1.00 0.00 C ATOM 695 OE1 GLN A 571 -12.284 -0.154 0.377 1.00 0.00 O ATOM 696 NE2 GLN A 571 -10.569 -0.955 -0.844 1.00 0.00 N ATOM 0 H GLN A 571 -11.037 -2.600 2.188 1.00 0.00 H new ATOM 0 HA GLN A 571 -13.648 -1.878 1.441 1.00 0.00 H new ATOM 0 HB2 GLN A 571 -11.506 -3.670 0.476 1.00 0.00 H new ATOM 0 HB3 GLN A 571 -13.124 -4.189 0.047 1.00 0.00 H new ATOM 0 HG2 GLN A 571 -12.168 -2.667 -1.678 1.00 0.00 H new ATOM 0 HG3 GLN A 571 -13.619 -1.995 -0.961 1.00 0.00 H new ATOM 0 HE21 GLN A 571 -10.226 -1.707 -1.442 1.00 0.00 H new ATOM 0 HE22 GLN A 571 -9.967 -0.160 -0.629 1.00 0.00 H new ATOM 705 N LYS A 572 -13.350 -4.624 3.178 1.00 0.00 N ATOM 706 CA LYS A 572 -14.089 -5.642 3.907 1.00 0.00 C ATOM 707 C LYS A 572 -14.776 -6.578 2.911 1.00 0.00 C ATOM 708 O LYS A 572 -14.745 -6.338 1.705 1.00 0.00 O ATOM 709 CB LYS A 572 -15.049 -4.994 4.906 1.00 0.00 C ATOM 710 CG LYS A 572 -14.334 -4.661 6.217 1.00 0.00 C ATOM 711 CD LYS A 572 -14.950 -5.428 7.389 1.00 0.00 C ATOM 712 CE LYS A 572 -14.226 -5.104 8.697 1.00 0.00 C ATOM 713 NZ LYS A 572 -14.770 -5.920 9.806 1.00 0.00 N ATOM 0 H LYS A 572 -12.344 -4.623 3.348 1.00 0.00 H new ATOM 0 HA LYS A 572 -13.411 -6.253 4.503 1.00 0.00 H new ATOM 0 HB2 LYS A 572 -15.468 -4.085 4.475 1.00 0.00 H new ATOM 0 HB3 LYS A 572 -15.883 -5.667 5.103 1.00 0.00 H new ATOM 0 HG2 LYS A 572 -13.276 -4.909 6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 572 -14.396 -3.589 6.407 1.00 0.00 H new ATOM 0 HD2 LYS A 572 -16.006 -5.173 7.481 1.00 0.00 H new ATOM 0 HD3 LYS A 572 -14.897 -6.499 7.195 1.00 0.00 H new ATOM 0 HE2 LYS A 572 -13.159 -5.296 8.586 1.00 0.00 H new ATOM 0 HE3 LYS A 572 -14.337 -4.045 8.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 572 -14.268 -5.688 10.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 572 -15.783 -5.717 9.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 572 -14.642 -6.929 9.590 1.00 0.00 H new ATOM 727 N SER A 573 -15.382 -7.624 3.452 1.00 0.00 N ATOM 728 CA SER A 573 -16.076 -8.597 2.626 1.00 0.00 C ATOM 729 C SER A 573 -17.472 -8.081 2.270 1.00 0.00 C ATOM 730 O SER A 573 -18.016 -7.223 2.963 1.00 0.00 O ATOM 731 CB SER A 573 -16.176 -9.950 3.334 1.00 0.00 C ATOM 732 OG SER A 573 -15.809 -9.862 4.708 1.00 0.00 O ATOM 0 H SER A 573 -15.407 -7.819 4.453 1.00 0.00 H new ATOM 0 HA SER A 573 -15.502 -8.738 1.710 1.00 0.00 H new ATOM 0 HB2 SER A 573 -17.196 -10.326 3.255 1.00 0.00 H new ATOM 0 HB3 SER A 573 -15.530 -10.671 2.832 1.00 0.00 H new ATOM 0 HG SER A 573 -15.888 -10.745 5.125 1.00 0.00 H new ATOM 738 N THR A 574 -18.011 -8.625 1.189 1.00 0.00 N ATOM 739 CA THR A 574 -19.333 -8.230 0.732 1.00 0.00 C ATOM 740 C THR A 574 -19.323 -6.772 0.268 1.00 0.00 C ATOM 741 O THR A 574 -19.565 -5.863 1.060 1.00 0.00 O ATOM 742 CB THR A 574 -20.325 -8.500 1.865 1.00 0.00 C ATOM 743 OG1 THR A 574 -20.202 -9.899 2.108 1.00 0.00 O ATOM 744 CG2 THR A 574 -21.779 -8.325 1.424 1.00 0.00 C ATOM 0 H THR A 574 -17.556 -9.336 0.616 1.00 0.00 H new ATOM 0 HA THR A 574 -19.642 -8.813 -0.136 1.00 0.00 H new ATOM 0 HB THR A 574 -20.115 -7.829 2.698 1.00 0.00 H new ATOM 0 HG1 THR A 574 -20.810 -10.160 2.831 1.00 0.00 H new ATOM 0 HG21 THR A 574 -22.441 -8.528 2.265 1.00 0.00 H new ATOM 0 HG22 THR A 574 -21.934 -7.303 1.079 1.00 0.00 H new ATOM 0 HG23 THR A 574 -21.999 -9.019 0.613 1.00 0.00 H new ATOM 752 N GLY A 575 -19.039 -6.594 -1.014 1.00 0.00 N ATOM 753 CA GLY A 575 -18.994 -5.263 -1.593 1.00 0.00 C ATOM 754 C GLY A 575 -18.057 -5.221 -2.801 1.00 0.00 C ATOM 755 O GLY A 575 -18.511 -5.215 -3.944 1.00 0.00 O ATOM 0 H GLY A 575 -18.838 -7.350 -1.668 1.00 0.00 H new ATOM 0 HA2 GLY A 575 -19.996 -4.960 -1.895 1.00 0.00 H new ATOM 0 HA3 GLY A 575 -18.658 -4.548 -0.843 1.00 0.00 H new ATOM 759 N ALA A 576 -16.765 -5.194 -2.507 1.00 0.00 N ATOM 760 CA ALA A 576 -15.759 -5.154 -3.555 1.00 0.00 C ATOM 761 C ALA A 576 -15.710 -6.510 -4.261 1.00 0.00 C ATOM 762 O ALA A 576 -15.760 -6.577 -5.488 1.00 0.00 O ATOM 763 CB ALA A 576 -14.409 -4.761 -2.952 1.00 0.00 C ATOM 0 H ALA A 576 -16.392 -5.199 -1.558 1.00 0.00 H new ATOM 0 HA ALA A 576 -16.013 -4.403 -4.303 1.00 0.00 H new ATOM 0 HB1 ALA A 576 -13.654 -4.731 -3.738 1.00 0.00 H new ATOM 0 HB2 ALA A 576 -14.490 -3.778 -2.489 1.00 0.00 H new ATOM 0 HB3 ALA A 576 -14.120 -5.494 -2.199 1.00 0.00 H new ATOM 769 N PRO A 577 -15.610 -7.585 -3.434 1.00 0.00 N ATOM 770 CA PRO A 577 -15.554 -8.936 -3.967 1.00 0.00 C ATOM 771 C PRO A 577 -16.931 -9.393 -4.451 1.00 0.00 C ATOM 772 O PRO A 577 -17.739 -8.578 -4.895 1.00 0.00 O ATOM 773 CB PRO A 577 -15.012 -9.785 -2.828 1.00 0.00 C ATOM 774 CG PRO A 577 -15.224 -8.970 -1.563 1.00 0.00 C ATOM 775 CD PRO A 577 -15.549 -7.544 -1.976 1.00 0.00 C ATOM 0 HA PRO A 577 -14.914 -9.016 -4.846 1.00 0.00 H new ATOM 0 HB2 PRO A 577 -15.535 -10.740 -2.770 1.00 0.00 H new ATOM 0 HB3 PRO A 577 -13.955 -10.009 -2.976 1.00 0.00 H new ATOM 0 HG2 PRO A 577 -16.036 -9.390 -0.970 1.00 0.00 H new ATOM 0 HG3 PRO A 577 -14.330 -8.993 -0.940 1.00 0.00 H new ATOM 0 HD2 PRO A 577 -16.496 -7.214 -1.549 1.00 0.00 H new ATOM 0 HD3 PRO A 577 -14.784 -6.848 -1.631 1.00 0.00 H new TER 783 PRO A 577