USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 394 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 Single : A 511 SER OG : rot 180:sc= 0 USER MOD Single : A 514 THR OG1 : rot 180:sc= 0.0589 USER MOD Single : A 515 CYS SG : rot 66:sc= 1.19 USER MOD Single : A 516 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 517 SER OG : rot 180:sc= 0 USER MOD Single : A 520 SER OG : rot -85:sc= 1.19 USER MOD Single : A 521 GLN : amide:sc=-1.26e-05 K(o=-1.3e-05,f=-0.83) USER MOD Single : A 524 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.118) USER MOD Single : A 526 THR OG1 : rot 180:sc= 0 USER MOD Single : A 527 LYS NZ :NH3+ 162:sc= -0.0928 (180deg=-0.558) USER MOD Single : A 528 GLN : amide:sc= -0.0829 X(o=-0.083,f=0) USER MOD Single : A 530 LYS NZ :NH3+ 161:sc= -0.0588 (180deg=-0.343) USER MOD Single : A 532 GLN : amide:sc= -1.29! K(o=-1.3!,f=-0.012) USER MOD Single : A 533 THR OG1 : rot 81:sc= 1.27 USER MOD Single : A 538 THR OG1 : rot 89:sc= 1.28 USER MOD Single : A 540 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.84) USER MOD Single : A 541 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 542 GLN : amide:sc= -1.52! K(o=-1.5!,f=-0.034) USER MOD Single : A 544 GLN : amide:sc= -1.09 K(o=-1.1,f=0) USER MOD Single : A 545 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 550 GLN : amide:sc= -2.91! K(o=-2.9!,f=-0.02) USER MOD Single : A 551 LYS NZ :NH3+ 163:sc= -0.0164 (180deg=-0.193) USER MOD Single : A 552 SER OG : rot 70:sc= 0.905 USER MOD Single : A 555 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 556 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 510 -37.635 -1.409 1.507 1.00 9.10 N ATOM 2 CA GLY A 510 -37.409 -0.689 0.233 1.00 8.55 C ATOM 3 C GLY A 510 -36.307 0.344 0.344 1.00 7.83 C ATOM 4 O GLY A 510 -36.090 0.908 1.417 1.00 8.04 O ATOM 0 HA2 GLY A 510 -37.154 -1.407 -0.547 1.00 8.55 H new ATOM 0 HA3 GLY A 510 -38.333 -0.199 -0.074 1.00 8.55 H new ATOM 10 N SER A 511 -35.602 0.559 -0.770 1.00 7.22 N ATOM 11 CA SER A 511 -34.541 1.569 -0.885 1.00 6.73 C ATOM 12 C SER A 511 -33.298 1.210 -0.063 1.00 6.19 C ATOM 13 O SER A 511 -32.201 1.076 -0.614 1.00 5.90 O ATOM 14 CB SER A 511 -35.064 2.953 -0.496 1.00 6.95 C ATOM 15 OG SER A 511 -36.145 3.336 -1.333 1.00 7.47 O ATOM 0 H SER A 511 -35.752 0.031 -1.630 1.00 7.22 H new ATOM 0 HA SER A 511 -34.236 1.589 -1.931 1.00 6.73 H new ATOM 0 HB2 SER A 511 -35.389 2.945 0.544 1.00 6.95 H new ATOM 0 HB3 SER A 511 -34.261 3.686 -0.574 1.00 6.95 H new ATOM 0 HG SER A 511 -36.466 4.223 -1.067 1.00 7.47 H new ATOM 21 N VAL A 512 -33.468 1.048 1.247 1.00 6.20 N ATOM 22 CA VAL A 512 -32.363 0.721 2.148 1.00 5.78 C ATOM 23 C VAL A 512 -31.674 -0.570 1.720 1.00 5.49 C ATOM 24 O VAL A 512 -30.459 -0.717 1.860 1.00 5.11 O ATOM 25 CB VAL A 512 -32.860 0.586 3.604 1.00 6.06 C ATOM 26 CG1 VAL A 512 -31.735 0.157 4.534 1.00 5.88 C ATOM 27 CG2 VAL A 512 -33.480 1.891 4.080 1.00 6.40 C ATOM 0 H VAL A 512 -34.371 1.139 1.713 1.00 6.20 H new ATOM 0 HA VAL A 512 -31.644 1.538 2.095 1.00 5.78 H new ATOM 0 HB VAL A 512 -33.625 -0.190 3.626 1.00 6.06 H new ATOM 0 HG11 VAL A 512 -32.117 0.071 5.551 1.00 5.88 H new ATOM 0 HG12 VAL A 512 -31.343 -0.807 4.211 1.00 5.88 H new ATOM 0 HG13 VAL A 512 -30.938 0.900 4.507 1.00 5.88 H new ATOM 0 HG21 VAL A 512 -33.824 1.777 5.108 1.00 6.40 H new ATOM 0 HG22 VAL A 512 -32.736 2.686 4.033 1.00 6.40 H new ATOM 0 HG23 VAL A 512 -34.325 2.147 3.441 1.00 6.40 H new ATOM 37 N GLU A 513 -32.463 -1.478 1.164 1.00 5.73 N ATOM 38 CA GLU A 513 -31.962 -2.751 0.656 1.00 5.58 C ATOM 39 C GLU A 513 -30.835 -2.543 -0.359 1.00 5.26 C ATOM 40 O GLU A 513 -29.821 -3.242 -0.332 1.00 4.95 O ATOM 41 CB GLU A 513 -33.109 -3.527 0.008 1.00 6.03 C ATOM 42 CG GLU A 513 -33.908 -2.699 -0.990 1.00 6.54 C ATOM 43 CD GLU A 513 -35.020 -3.477 -1.660 1.00 7.02 C ATOM 44 OE1 GLU A 513 -34.720 -4.313 -2.538 1.00 7.27 O ATOM 45 OE2 GLU A 513 -36.194 -3.273 -1.295 1.00 7.40 O ATOM 0 H GLU A 513 -33.469 -1.355 1.051 1.00 5.73 H new ATOM 0 HA GLU A 513 -31.557 -3.319 1.494 1.00 5.58 H new ATOM 0 HB2 GLU A 513 -32.705 -4.403 -0.499 1.00 6.03 H new ATOM 0 HB3 GLU A 513 -33.779 -3.890 0.787 1.00 6.03 H new ATOM 0 HG2 GLU A 513 -34.335 -1.837 -0.477 1.00 6.54 H new ATOM 0 HG3 GLU A 513 -33.233 -2.313 -1.754 1.00 6.54 H new ATOM 52 N THR A 514 -31.012 -1.566 -1.239 1.00 5.38 N ATOM 53 CA THR A 514 -30.031 -1.278 -2.268 1.00 5.15 C ATOM 54 C THR A 514 -28.888 -0.442 -1.701 1.00 4.74 C ATOM 55 O THR A 514 -27.719 -0.669 -2.016 1.00 4.68 O ATOM 56 CB THR A 514 -30.676 -0.514 -3.436 1.00 5.39 C ATOM 57 OG1 THR A 514 -32.097 -0.715 -3.419 1.00 5.70 O ATOM 58 CG2 THR A 514 -30.110 -0.984 -4.764 1.00 5.67 C ATOM 0 H THR A 514 -31.831 -0.959 -1.257 1.00 5.38 H new ATOM 0 HA THR A 514 -29.641 -2.230 -2.629 1.00 5.15 H new ATOM 0 HB THR A 514 -30.454 0.547 -3.320 1.00 5.39 H new ATOM 0 HG1 THR A 514 -32.506 -0.226 -4.163 1.00 5.70 H new ATOM 0 HG21 THR A 514 -30.580 -0.430 -5.576 1.00 5.67 H new ATOM 0 HG22 THR A 514 -29.034 -0.811 -4.782 1.00 5.67 H new ATOM 0 HG23 THR A 514 -30.309 -2.049 -4.888 1.00 5.67 H new ATOM 66 N CYS A 515 -29.233 0.513 -0.843 1.00 4.56 N ATOM 67 CA CYS A 515 -28.257 1.449 -0.299 1.00 4.21 C ATOM 68 C CYS A 515 -27.269 0.746 0.626 1.00 3.93 C ATOM 69 O CYS A 515 -26.090 1.091 0.663 1.00 3.56 O ATOM 70 CB CYS A 515 -28.963 2.578 0.446 1.00 4.40 C ATOM 71 SG CYS A 515 -30.286 3.372 -0.499 1.00 4.96 S ATOM 0 H CYS A 515 -30.186 0.659 -0.509 1.00 4.56 H new ATOM 0 HA CYS A 515 -27.696 1.869 -1.134 1.00 4.21 H new ATOM 0 HB2 CYS A 515 -29.380 2.183 1.372 1.00 4.40 H new ATOM 0 HB3 CYS A 515 -28.226 3.332 0.724 1.00 4.40 H new ATOM 0 HG CYS A 515 -31.249 2.522 -0.695 1.00 4.96 H new ATOM 77 N MET A 516 -27.746 -0.241 1.371 1.00 4.13 N ATOM 78 CA MET A 516 -26.876 -1.018 2.239 1.00 3.95 C ATOM 79 C MET A 516 -25.837 -1.755 1.400 1.00 3.70 C ATOM 80 O MET A 516 -24.669 -1.866 1.787 1.00 3.40 O ATOM 81 CB MET A 516 -27.698 -1.993 3.086 1.00 4.28 C ATOM 82 CG MET A 516 -26.870 -2.805 4.072 1.00 4.27 C ATOM 83 SD MET A 516 -26.100 -4.263 3.335 1.00 4.83 S ATOM 84 CE MET A 516 -25.203 -4.915 4.742 1.00 5.80 C ATOM 0 H MET A 516 -28.727 -0.521 1.391 1.00 4.13 H new ATOM 0 HA MET A 516 -26.355 -0.346 2.921 1.00 3.95 H new ATOM 0 HB2 MET A 516 -28.453 -1.432 3.637 1.00 4.28 H new ATOM 0 HB3 MET A 516 -28.228 -2.677 2.423 1.00 4.28 H new ATOM 0 HG2 MET A 516 -26.093 -2.167 4.494 1.00 4.27 H new ATOM 0 HG3 MET A 516 -27.508 -3.119 4.898 1.00 4.27 H new ATOM 0 HE1 MET A 516 -24.673 -5.821 4.448 1.00 5.80 H new ATOM 0 HE2 MET A 516 -24.486 -4.172 5.092 1.00 5.80 H new ATOM 0 HE3 MET A 516 -25.904 -5.149 5.543 1.00 5.80 H new ATOM 94 N SER A 517 -26.259 -2.218 0.229 1.00 3.87 N ATOM 95 CA SER A 517 -25.386 -2.952 -0.673 1.00 3.73 C ATOM 96 C SER A 517 -24.317 -2.035 -1.276 1.00 3.38 C ATOM 97 O SER A 517 -23.138 -2.380 -1.295 1.00 3.11 O ATOM 98 CB SER A 517 -26.213 -3.614 -1.779 1.00 4.09 C ATOM 99 OG SER A 517 -25.390 -4.310 -2.700 1.00 4.52 O ATOM 0 H SER A 517 -27.210 -2.095 -0.118 1.00 3.87 H new ATOM 0 HA SER A 517 -24.875 -3.727 -0.101 1.00 3.73 H new ATOM 0 HB2 SER A 517 -26.929 -4.306 -1.335 1.00 4.09 H new ATOM 0 HB3 SER A 517 -26.790 -2.855 -2.307 1.00 4.09 H new ATOM 0 HG SER A 517 -25.949 -4.722 -3.392 1.00 4.52 H new ATOM 105 N LEU A 518 -24.726 -0.866 -1.762 1.00 3.41 N ATOM 106 CA LEU A 518 -23.780 0.062 -2.364 1.00 3.15 C ATOM 107 C LEU A 518 -22.805 0.616 -1.330 1.00 2.83 C ATOM 108 O LEU A 518 -21.619 0.769 -1.610 1.00 2.54 O ATOM 109 CB LEU A 518 -24.488 1.193 -3.135 1.00 3.32 C ATOM 110 CG LEU A 518 -25.668 1.898 -2.444 1.00 3.52 C ATOM 111 CD1 LEU A 518 -25.190 2.991 -1.496 1.00 3.34 C ATOM 112 CD2 LEU A 518 -26.616 2.477 -3.485 1.00 3.86 C ATOM 0 H LEU A 518 -25.694 -0.544 -1.750 1.00 3.41 H new ATOM 0 HA LEU A 518 -23.200 -0.505 -3.093 1.00 3.15 H new ATOM 0 HB2 LEU A 518 -23.743 1.949 -3.381 1.00 3.32 H new ATOM 0 HB3 LEU A 518 -24.848 0.782 -4.078 1.00 3.32 H new ATOM 0 HG LEU A 518 -26.200 1.155 -1.850 1.00 3.52 H new ATOM 0 HD11 LEU A 518 -26.051 3.467 -1.026 1.00 3.34 H new ATOM 0 HD12 LEU A 518 -24.553 2.553 -0.728 1.00 3.34 H new ATOM 0 HD13 LEU A 518 -24.624 3.736 -2.055 1.00 3.34 H new ATOM 0 HD21 LEU A 518 -27.447 2.973 -2.984 1.00 3.86 H new ATOM 0 HD22 LEU A 518 -26.081 3.199 -4.103 1.00 3.86 H new ATOM 0 HD23 LEU A 518 -26.999 1.674 -4.115 1.00 3.86 H new ATOM 124 N ALA A 519 -23.307 0.903 -0.137 1.00 2.92 N ATOM 125 CA ALA A 519 -22.472 1.416 0.945 1.00 2.71 C ATOM 126 C ALA A 519 -21.426 0.388 1.380 1.00 2.50 C ATOM 127 O ALA A 519 -20.266 0.731 1.603 1.00 2.24 O ATOM 128 CB ALA A 519 -23.333 1.835 2.125 1.00 2.96 C ATOM 0 H ALA A 519 -24.291 0.790 0.108 1.00 2.92 H new ATOM 0 HA ALA A 519 -21.940 2.291 0.571 1.00 2.71 H new ATOM 0 HB1 ALA A 519 -22.696 2.215 2.923 1.00 2.96 H new ATOM 0 HB2 ALA A 519 -24.026 2.616 1.811 1.00 2.96 H new ATOM 0 HB3 ALA A 519 -23.896 0.975 2.488 1.00 2.96 H new ATOM 134 N SER A 520 -21.831 -0.872 1.500 1.00 2.66 N ATOM 135 CA SER A 520 -20.899 -1.936 1.860 1.00 2.54 C ATOM 136 C SER A 520 -19.900 -2.174 0.731 1.00 2.31 C ATOM 137 O SER A 520 -18.735 -2.485 0.976 1.00 2.10 O ATOM 138 CB SER A 520 -21.650 -3.219 2.219 1.00 2.83 C ATOM 139 OG SER A 520 -22.584 -3.572 1.216 1.00 2.98 O ATOM 0 H SER A 520 -22.792 -1.181 1.354 1.00 2.66 H new ATOM 0 HA SER A 520 -20.341 -1.624 2.743 1.00 2.54 H new ATOM 0 HB2 SER A 520 -20.938 -4.032 2.356 1.00 2.83 H new ATOM 0 HB3 SER A 520 -22.168 -3.085 3.169 1.00 2.83 H new ATOM 0 HG SER A 520 -23.426 -3.094 1.370 1.00 2.98 H new ATOM 145 N GLN A 521 -20.361 -2.015 -0.503 1.00 2.40 N ATOM 146 CA GLN A 521 -19.492 -2.111 -1.667 1.00 2.26 C ATOM 147 C GLN A 521 -18.414 -1.032 -1.608 1.00 1.95 C ATOM 148 O GLN A 521 -17.235 -1.306 -1.828 1.00 1.75 O ATOM 149 CB GLN A 521 -20.312 -1.981 -2.948 1.00 2.49 C ATOM 150 CG GLN A 521 -19.477 -1.970 -4.216 1.00 2.84 C ATOM 151 CD GLN A 521 -20.323 -1.952 -5.470 1.00 3.23 C ATOM 152 OE1 GLN A 521 -21.432 -2.490 -5.499 1.00 3.85 O ATOM 153 NE2 GLN A 521 -19.805 -1.338 -6.521 1.00 3.40 N ATOM 0 H GLN A 521 -21.337 -1.818 -0.723 1.00 2.40 H new ATOM 0 HA GLN A 521 -19.006 -3.086 -1.666 1.00 2.26 H new ATOM 0 HB2 GLN A 521 -21.021 -2.807 -2.999 1.00 2.49 H new ATOM 0 HB3 GLN A 521 -20.896 -1.062 -2.902 1.00 2.49 H new ATOM 0 HG2 GLN A 521 -18.825 -1.097 -4.210 1.00 2.84 H new ATOM 0 HG3 GLN A 521 -18.832 -2.849 -4.230 1.00 2.84 H new ATOM 0 HE21 GLN A 521 -18.884 -0.905 -6.456 1.00 3.40 H new ATOM 0 HE22 GLN A 521 -20.327 -1.298 -7.396 1.00 3.40 H new ATOM 162 N VAL A 522 -18.822 0.192 -1.290 1.00 1.94 N ATOM 163 CA VAL A 522 -17.878 1.283 -1.079 1.00 1.71 C ATOM 164 C VAL A 522 -16.904 0.927 0.040 1.00 1.52 C ATOM 165 O VAL A 522 -15.707 1.193 -0.054 1.00 1.28 O ATOM 166 CB VAL A 522 -18.598 2.605 -0.729 1.00 1.86 C ATOM 167 CG1 VAL A 522 -17.597 3.700 -0.382 1.00 1.69 C ATOM 168 CG2 VAL A 522 -19.485 3.049 -1.881 1.00 2.07 C ATOM 0 H VAL A 522 -19.801 0.453 -1.173 1.00 1.94 H new ATOM 0 HA VAL A 522 -17.334 1.428 -2.013 1.00 1.71 H new ATOM 0 HB VAL A 522 -19.222 2.425 0.146 1.00 1.86 H new ATOM 0 HG11 VAL A 522 -18.132 4.618 -0.140 1.00 1.69 H new ATOM 0 HG12 VAL A 522 -17.002 3.390 0.477 1.00 1.69 H new ATOM 0 HG13 VAL A 522 -16.940 3.876 -1.234 1.00 1.69 H new ATOM 0 HG21 VAL A 522 -19.984 3.981 -1.617 1.00 2.07 H new ATOM 0 HG22 VAL A 522 -18.875 3.203 -2.771 1.00 2.07 H new ATOM 0 HG23 VAL A 522 -20.232 2.281 -2.082 1.00 2.07 H new ATOM 178 N VAL A 523 -17.427 0.303 1.087 1.00 1.66 N ATOM 179 CA VAL A 523 -16.622 -0.131 2.214 1.00 1.58 C ATOM 180 C VAL A 523 -15.567 -1.149 1.770 1.00 1.41 C ATOM 181 O VAL A 523 -14.404 -1.059 2.170 1.00 1.24 O ATOM 182 CB VAL A 523 -17.534 -0.718 3.319 1.00 1.85 C ATOM 183 CG1 VAL A 523 -16.797 -1.720 4.183 1.00 1.86 C ATOM 184 CG2 VAL A 523 -18.115 0.398 4.172 1.00 1.98 C ATOM 0 H VAL A 523 -18.419 0.085 1.176 1.00 1.66 H new ATOM 0 HA VAL A 523 -16.095 0.731 2.622 1.00 1.58 H new ATOM 0 HB VAL A 523 -18.349 -1.249 2.828 1.00 1.85 H new ATOM 0 HG11 VAL A 523 -17.472 -2.108 4.946 1.00 1.86 H new ATOM 0 HG12 VAL A 523 -16.439 -2.542 3.563 1.00 1.86 H new ATOM 0 HG13 VAL A 523 -15.949 -1.232 4.663 1.00 1.86 H new ATOM 0 HG21 VAL A 523 -18.754 -0.030 4.945 1.00 1.98 H new ATOM 0 HG22 VAL A 523 -17.305 0.958 4.640 1.00 1.98 H new ATOM 0 HG23 VAL A 523 -18.703 1.067 3.544 1.00 1.98 H new ATOM 194 N LYS A 524 -15.966 -2.095 0.923 1.00 1.52 N ATOM 195 CA LYS A 524 -15.024 -3.067 0.364 1.00 1.44 C ATOM 196 C LYS A 524 -13.986 -2.374 -0.510 1.00 1.21 C ATOM 197 O LYS A 524 -12.802 -2.712 -0.466 1.00 1.07 O ATOM 198 CB LYS A 524 -15.754 -4.139 -0.454 1.00 1.69 C ATOM 199 CG LYS A 524 -16.056 -5.410 0.318 1.00 1.91 C ATOM 200 CD LYS A 524 -17.158 -5.194 1.334 1.00 2.09 C ATOM 201 CE LYS A 524 -17.398 -6.437 2.174 1.00 2.33 C ATOM 202 NZ LYS A 524 -17.834 -7.591 1.343 1.00 2.48 N ATOM 0 H LYS A 524 -16.929 -2.211 0.609 1.00 1.52 H new ATOM 0 HA LYS A 524 -14.519 -3.551 1.200 1.00 1.44 H new ATOM 0 HB2 LYS A 524 -16.690 -3.722 -0.826 1.00 1.69 H new ATOM 0 HB3 LYS A 524 -15.149 -4.391 -1.325 1.00 1.69 H new ATOM 0 HG2 LYS A 524 -16.349 -6.198 -0.376 1.00 1.91 H new ATOM 0 HG3 LYS A 524 -15.154 -5.752 0.825 1.00 1.91 H new ATOM 0 HD2 LYS A 524 -16.895 -4.360 1.985 1.00 2.09 H new ATOM 0 HD3 LYS A 524 -18.079 -4.919 0.820 1.00 2.09 H new ATOM 0 HE2 LYS A 524 -16.483 -6.698 2.706 1.00 2.33 H new ATOM 0 HE3 LYS A 524 -18.156 -6.225 2.928 1.00 2.33 H new ATOM 0 HZ1 LYS A 524 -18.149 -8.365 1.962 1.00 2.48 H new ATOM 0 HZ2 LYS A 524 -18.619 -7.298 0.727 1.00 2.48 H new ATOM 0 HZ3 LYS A 524 -17.039 -7.918 0.758 1.00 2.48 H new ATOM 216 N LEU A 525 -14.431 -1.407 -1.304 1.00 1.21 N ATOM 217 CA LEU A 525 -13.535 -0.635 -2.157 1.00 1.06 C ATOM 218 C LEU A 525 -12.515 0.117 -1.317 1.00 0.82 C ATOM 219 O LEU A 525 -11.315 0.060 -1.582 1.00 0.67 O ATOM 220 CB LEU A 525 -14.327 0.352 -3.019 1.00 1.19 C ATOM 221 CG LEU A 525 -14.724 -0.154 -4.410 1.00 1.42 C ATOM 222 CD1 LEU A 525 -15.279 -1.565 -4.338 1.00 1.62 C ATOM 223 CD2 LEU A 525 -15.735 0.788 -5.038 1.00 1.56 C ATOM 0 H LEU A 525 -15.412 -1.138 -1.375 1.00 1.21 H new ATOM 0 HA LEU A 525 -13.010 -1.330 -2.812 1.00 1.06 H new ATOM 0 HB2 LEU A 525 -15.233 0.631 -2.481 1.00 1.19 H new ATOM 0 HB3 LEU A 525 -13.735 1.260 -3.137 1.00 1.19 H new ATOM 0 HG LEU A 525 -13.832 -0.179 -5.035 1.00 1.42 H new ATOM 0 HD11 LEU A 525 -15.553 -1.900 -5.339 1.00 1.62 H new ATOM 0 HD12 LEU A 525 -14.522 -2.233 -3.926 1.00 1.62 H new ATOM 0 HD13 LEU A 525 -16.161 -1.577 -3.697 1.00 1.62 H new ATOM 0 HD21 LEU A 525 -16.011 0.420 -6.026 1.00 1.56 H new ATOM 0 HD22 LEU A 525 -16.624 0.840 -4.409 1.00 1.56 H new ATOM 0 HD23 LEU A 525 -15.298 1.782 -5.130 1.00 1.56 H new ATOM 235 N THR A 526 -13.003 0.793 -0.286 1.00 0.84 N ATOM 236 CA THR A 526 -12.157 1.561 0.604 1.00 0.73 C ATOM 237 C THR A 526 -11.134 0.656 1.297 1.00 0.62 C ATOM 238 O THR A 526 -9.969 1.030 1.463 1.00 0.52 O ATOM 239 CB THR A 526 -13.026 2.324 1.637 1.00 0.91 C ATOM 240 OG1 THR A 526 -13.093 3.715 1.293 1.00 1.14 O ATOM 241 CG2 THR A 526 -12.510 2.161 3.058 1.00 1.40 C ATOM 0 H THR A 526 -13.994 0.822 -0.047 1.00 0.84 H new ATOM 0 HA THR A 526 -11.602 2.293 0.017 1.00 0.73 H new ATOM 0 HB THR A 526 -14.025 1.890 1.604 1.00 0.91 H new ATOM 0 HG1 THR A 526 -13.645 4.188 1.950 1.00 1.14 H new ATOM 0 HG21 THR A 526 -13.152 2.714 3.744 1.00 1.40 H new ATOM 0 HG22 THR A 526 -12.515 1.105 3.328 1.00 1.40 H new ATOM 0 HG23 THR A 526 -11.493 2.547 3.122 1.00 1.40 H new ATOM 249 N LYS A 527 -11.573 -0.543 1.671 1.00 0.72 N ATOM 250 CA LYS A 527 -10.700 -1.507 2.318 1.00 0.71 C ATOM 251 C LYS A 527 -9.584 -1.941 1.371 1.00 0.55 C ATOM 252 O LYS A 527 -8.409 -1.940 1.738 1.00 0.47 O ATOM 253 CB LYS A 527 -11.505 -2.725 2.782 1.00 0.91 C ATOM 254 CG LYS A 527 -10.647 -3.809 3.407 1.00 1.04 C ATOM 255 CD LYS A 527 -9.995 -3.334 4.694 1.00 1.12 C ATOM 256 CE LYS A 527 -11.024 -3.115 5.786 1.00 1.24 C ATOM 257 NZ LYS A 527 -11.810 -4.349 6.057 1.00 1.60 N ATOM 0 H LYS A 527 -12.531 -0.867 1.535 1.00 0.72 H new ATOM 0 HA LYS A 527 -10.248 -1.032 3.189 1.00 0.71 H new ATOM 0 HB2 LYS A 527 -12.254 -2.403 3.505 1.00 0.91 H new ATOM 0 HB3 LYS A 527 -12.042 -3.142 1.931 1.00 0.91 H new ATOM 0 HG2 LYS A 527 -11.260 -4.686 3.612 1.00 1.04 H new ATOM 0 HG3 LYS A 527 -9.876 -4.117 2.700 1.00 1.04 H new ATOM 0 HD2 LYS A 527 -9.261 -4.069 5.025 1.00 1.12 H new ATOM 0 HD3 LYS A 527 -9.455 -2.405 4.509 1.00 1.12 H new ATOM 0 HE2 LYS A 527 -10.523 -2.795 6.699 1.00 1.24 H new ATOM 0 HE3 LYS A 527 -11.699 -2.310 5.494 1.00 1.24 H new ATOM 0 HZ1 LYS A 527 -12.275 -4.268 6.984 1.00 1.60 H new ATOM 0 HZ2 LYS A 527 -12.531 -4.471 5.317 1.00 1.60 H new ATOM 0 HZ3 LYS A 527 -11.174 -5.172 6.060 1.00 1.60 H new ATOM 271 N GLN A 528 -9.959 -2.291 0.146 1.00 0.59 N ATOM 272 CA GLN A 528 -8.998 -2.738 -0.854 1.00 0.55 C ATOM 273 C GLN A 528 -7.996 -1.634 -1.177 1.00 0.40 C ATOM 274 O GLN A 528 -6.811 -1.899 -1.370 1.00 0.37 O ATOM 275 CB GLN A 528 -9.719 -3.186 -2.124 1.00 0.75 C ATOM 276 CG GLN A 528 -10.591 -4.414 -1.921 1.00 1.38 C ATOM 277 CD GLN A 528 -11.399 -4.758 -3.152 1.00 1.87 C ATOM 278 OE1 GLN A 528 -10.951 -5.513 -4.014 1.00 2.56 O ATOM 279 NE2 GLN A 528 -12.596 -4.203 -3.243 1.00 2.33 N ATOM 0 H GLN A 528 -10.926 -2.273 -0.179 1.00 0.59 H new ATOM 0 HA GLN A 528 -8.451 -3.587 -0.443 1.00 0.55 H new ATOM 0 HB2 GLN A 528 -10.338 -2.367 -2.490 1.00 0.75 H new ATOM 0 HB3 GLN A 528 -8.980 -3.398 -2.897 1.00 0.75 H new ATOM 0 HG2 GLN A 528 -9.962 -5.263 -1.654 1.00 1.38 H new ATOM 0 HG3 GLN A 528 -11.266 -4.242 -1.083 1.00 1.38 H new ATOM 0 HE21 GLN A 528 -12.928 -3.583 -2.505 1.00 2.33 H new ATOM 0 HE22 GLN A 528 -13.187 -4.395 -4.052 1.00 2.33 H new ATOM 288 N LEU A 529 -8.479 -0.398 -1.227 1.00 0.37 N ATOM 289 CA LEU A 529 -7.616 0.749 -1.466 1.00 0.33 C ATOM 290 C LEU A 529 -6.622 0.915 -0.328 1.00 0.22 C ATOM 291 O LEU A 529 -5.427 1.098 -0.556 1.00 0.26 O ATOM 292 CB LEU A 529 -8.453 2.020 -1.591 1.00 0.43 C ATOM 293 CG LEU A 529 -9.399 2.073 -2.787 1.00 0.58 C ATOM 294 CD1 LEU A 529 -10.297 3.288 -2.675 1.00 0.67 C ATOM 295 CD2 LEU A 529 -8.613 2.104 -4.089 1.00 0.69 C ATOM 0 H LEU A 529 -9.465 -0.166 -1.105 1.00 0.37 H new ATOM 0 HA LEU A 529 -7.072 0.578 -2.395 1.00 0.33 H new ATOM 0 HB2 LEU A 529 -9.041 2.137 -0.681 1.00 0.43 H new ATOM 0 HB3 LEU A 529 -7.778 2.874 -1.647 1.00 0.43 H new ATOM 0 HG LEU A 529 -10.018 1.176 -2.789 1.00 0.58 H new ATOM 0 HD11 LEU A 529 -10.971 3.322 -3.531 1.00 0.67 H new ATOM 0 HD12 LEU A 529 -10.880 3.226 -1.756 1.00 0.67 H new ATOM 0 HD13 LEU A 529 -9.687 4.191 -2.657 1.00 0.67 H new ATOM 0 HD21 LEU A 529 -9.305 2.142 -4.931 1.00 0.69 H new ATOM 0 HD22 LEU A 529 -7.972 2.986 -4.106 1.00 0.69 H new ATOM 0 HD23 LEU A 529 -7.998 1.207 -4.164 1.00 0.69 H new ATOM 307 N LYS A 530 -7.124 0.827 0.898 1.00 0.23 N ATOM 308 CA LYS A 530 -6.279 0.937 2.083 1.00 0.30 C ATOM 309 C LYS A 530 -5.231 -0.165 2.126 1.00 0.24 C ATOM 310 O LYS A 530 -4.045 0.110 2.293 1.00 0.29 O ATOM 311 CB LYS A 530 -7.122 0.873 3.359 1.00 0.47 C ATOM 312 CG LYS A 530 -7.850 2.165 3.684 1.00 1.14 C ATOM 313 CD LYS A 530 -6.875 3.318 3.855 1.00 1.72 C ATOM 314 CE LYS A 530 -7.529 4.506 4.534 1.00 2.36 C ATOM 315 NZ LYS A 530 -7.874 4.211 5.949 1.00 2.78 N ATOM 0 H LYS A 530 -8.113 0.680 1.099 1.00 0.23 H new ATOM 0 HA LYS A 530 -5.774 1.901 2.026 1.00 0.30 H new ATOM 0 HB2 LYS A 530 -7.854 0.071 3.259 1.00 0.47 H new ATOM 0 HB3 LYS A 530 -6.475 0.612 4.197 1.00 0.47 H new ATOM 0 HG2 LYS A 530 -8.556 2.398 2.887 1.00 1.14 H new ATOM 0 HG3 LYS A 530 -8.431 2.038 4.598 1.00 1.14 H new ATOM 0 HD2 LYS A 530 -6.019 2.987 4.444 1.00 1.72 H new ATOM 0 HD3 LYS A 530 -6.493 3.620 2.880 1.00 1.72 H new ATOM 0 HE2 LYS A 530 -6.856 5.363 4.495 1.00 2.36 H new ATOM 0 HE3 LYS A 530 -8.432 4.784 3.990 1.00 2.36 H new ATOM 0 HZ1 LYS A 530 -8.012 5.103 6.466 1.00 2.78 H new ATOM 0 HZ2 LYS A 530 -8.750 3.652 5.983 1.00 2.78 H new ATOM 0 HZ3 LYS A 530 -7.101 3.672 6.390 1.00 2.78 H new ATOM 329 N GLU A 531 -5.666 -1.405 1.937 1.00 0.21 N ATOM 330 CA GLU A 531 -4.763 -2.546 2.030 1.00 0.26 C ATOM 331 C GLU A 531 -3.726 -2.522 0.913 1.00 0.23 C ATOM 332 O GLU A 531 -2.566 -2.870 1.134 1.00 0.26 O ATOM 333 CB GLU A 531 -5.539 -3.863 2.030 1.00 0.37 C ATOM 334 CG GLU A 531 -6.383 -4.055 3.279 1.00 0.50 C ATOM 335 CD GLU A 531 -6.859 -5.482 3.459 1.00 0.68 C ATOM 336 OE1 GLU A 531 -6.049 -6.347 3.845 1.00 1.00 O ATOM 337 OE2 GLU A 531 -8.052 -5.752 3.191 1.00 0.98 O ATOM 0 H GLU A 531 -6.633 -1.646 1.720 1.00 0.21 H new ATOM 0 HA GLU A 531 -4.231 -2.471 2.978 1.00 0.26 H new ATOM 0 HB2 GLU A 531 -6.185 -3.898 1.153 1.00 0.37 H new ATOM 0 HB3 GLU A 531 -4.837 -4.692 1.942 1.00 0.37 H new ATOM 0 HG2 GLU A 531 -5.802 -3.759 4.152 1.00 0.50 H new ATOM 0 HG3 GLU A 531 -7.247 -3.393 3.232 1.00 0.50 H new ATOM 344 N GLN A 532 -4.134 -2.087 -0.273 1.00 0.23 N ATOM 345 CA GLN A 532 -3.199 -1.924 -1.379 1.00 0.32 C ATOM 346 C GLN A 532 -2.144 -0.880 -1.032 1.00 0.33 C ATOM 347 O GLN A 532 -0.961 -1.054 -1.315 1.00 0.41 O ATOM 348 CB GLN A 532 -3.933 -1.504 -2.652 1.00 0.40 C ATOM 349 CG GLN A 532 -2.998 -1.228 -3.818 1.00 0.97 C ATOM 350 CD GLN A 532 -3.707 -0.637 -5.021 1.00 1.51 C ATOM 351 OE1 GLN A 532 -3.298 -0.852 -6.159 1.00 2.20 O ATOM 352 NE2 GLN A 532 -4.766 0.124 -4.779 1.00 2.06 N ATOM 0 H GLN A 532 -5.099 -1.842 -0.493 1.00 0.23 H new ATOM 0 HA GLN A 532 -2.713 -2.884 -1.553 1.00 0.32 H new ATOM 0 HB2 GLN A 532 -4.635 -2.289 -2.935 1.00 0.40 H new ATOM 0 HB3 GLN A 532 -4.521 -0.610 -2.446 1.00 0.40 H new ATOM 0 HG2 GLN A 532 -2.214 -0.544 -3.493 1.00 0.97 H new ATOM 0 HG3 GLN A 532 -2.509 -2.157 -4.112 1.00 0.97 H new ATOM 0 HE21 GLN A 532 -5.074 0.278 -3.819 1.00 2.06 H new ATOM 0 HE22 GLN A 532 -5.272 0.555 -5.553 1.00 2.06 H new ATOM 361 N THR A 533 -2.579 0.195 -0.402 1.00 0.29 N ATOM 362 CA THR A 533 -1.687 1.290 -0.074 1.00 0.36 C ATOM 363 C THR A 533 -0.740 0.914 1.065 1.00 0.35 C ATOM 364 O THR A 533 0.463 1.155 0.977 1.00 0.41 O ATOM 365 CB THR A 533 -2.475 2.558 0.304 1.00 0.41 C ATOM 366 OG1 THR A 533 -3.450 2.846 -0.710 1.00 0.45 O ATOM 367 CG2 THR A 533 -1.542 3.745 0.457 1.00 0.53 C ATOM 0 H THR A 533 -3.546 0.333 -0.107 1.00 0.29 H new ATOM 0 HA THR A 533 -1.095 1.497 -0.966 1.00 0.36 H new ATOM 0 HB THR A 533 -2.976 2.380 1.256 1.00 0.41 H new ATOM 0 HG1 THR A 533 -4.239 2.281 -0.575 1.00 0.45 H new ATOM 0 HG21 THR A 533 -2.120 4.630 0.724 1.00 0.53 H new ATOM 0 HG22 THR A 533 -0.814 3.537 1.241 1.00 0.53 H new ATOM 0 HG23 THR A 533 -1.021 3.922 -0.484 1.00 0.53 H new ATOM 375 N VAL A 534 -1.274 0.299 2.120 1.00 0.29 N ATOM 376 CA VAL A 534 -0.467 -0.049 3.287 1.00 0.32 C ATOM 377 C VAL A 534 0.639 -1.044 2.934 1.00 0.32 C ATOM 378 O VAL A 534 1.756 -0.933 3.437 1.00 0.35 O ATOM 379 CB VAL A 534 -1.318 -0.594 4.459 1.00 0.32 C ATOM 380 CG1 VAL A 534 -2.280 0.473 4.958 1.00 0.36 C ATOM 381 CG2 VAL A 534 -2.078 -1.848 4.062 1.00 0.28 C ATOM 0 H VAL A 534 -2.256 0.033 2.190 1.00 0.29 H new ATOM 0 HA VAL A 534 -0.006 0.881 3.618 1.00 0.32 H new ATOM 0 HB VAL A 534 -0.636 -0.861 5.267 1.00 0.32 H new ATOM 0 HG11 VAL A 534 -2.871 0.073 5.782 1.00 0.36 H new ATOM 0 HG12 VAL A 534 -1.715 1.339 5.303 1.00 0.36 H new ATOM 0 HG13 VAL A 534 -2.944 0.772 4.147 1.00 0.36 H new ATOM 0 HG21 VAL A 534 -2.664 -2.202 4.910 1.00 0.28 H new ATOM 0 HG22 VAL A 534 -2.744 -1.621 3.230 1.00 0.28 H new ATOM 0 HG23 VAL A 534 -1.372 -2.622 3.761 1.00 0.28 H new ATOM 391 N GLU A 535 0.343 -2.009 2.070 1.00 0.29 N ATOM 392 CA GLU A 535 1.361 -2.951 1.631 1.00 0.32 C ATOM 393 C GLU A 535 2.342 -2.267 0.685 1.00 0.36 C ATOM 394 O GLU A 535 3.533 -2.564 0.698 1.00 0.39 O ATOM 395 CB GLU A 535 0.740 -4.175 0.955 1.00 0.34 C ATOM 396 CG GLU A 535 -0.043 -3.853 -0.305 1.00 0.36 C ATOM 397 CD GLU A 535 -0.369 -5.081 -1.127 1.00 0.54 C ATOM 398 OE1 GLU A 535 -1.243 -5.868 -0.715 1.00 0.81 O ATOM 399 OE2 GLU A 535 0.264 -5.272 -2.186 1.00 0.69 O ATOM 0 H GLU A 535 -0.581 -2.157 1.665 1.00 0.29 H new ATOM 0 HA GLU A 535 1.898 -3.295 2.515 1.00 0.32 H new ATOM 0 HB2 GLU A 535 1.532 -4.882 0.708 1.00 0.34 H new ATOM 0 HB3 GLU A 535 0.079 -4.673 1.664 1.00 0.34 H new ATOM 0 HG2 GLU A 535 -0.970 -3.349 -0.032 1.00 0.36 H new ATOM 0 HG3 GLU A 535 0.531 -3.156 -0.915 1.00 0.36 H new ATOM 406 N ARG A 536 1.835 -1.339 -0.120 1.00 0.38 N ATOM 407 CA ARG A 536 2.659 -0.624 -1.084 1.00 0.44 C ATOM 408 C ARG A 536 3.642 0.309 -0.384 1.00 0.46 C ATOM 409 O ARG A 536 4.819 0.341 -0.729 1.00 0.49 O ATOM 410 CB ARG A 536 1.773 0.136 -2.065 1.00 0.49 C ATOM 411 CG ARG A 536 2.544 0.861 -3.149 1.00 0.59 C ATOM 412 CD ARG A 536 2.322 2.351 -3.047 1.00 0.65 C ATOM 413 NE ARG A 536 0.931 2.709 -3.343 1.00 0.70 N ATOM 414 CZ ARG A 536 0.410 3.917 -3.145 1.00 0.93 C ATOM 415 NH1 ARG A 536 1.156 4.898 -2.648 1.00 1.38 N ATOM 416 NH2 ARG A 536 -0.865 4.146 -3.441 1.00 0.94 N ATOM 0 H ARG A 536 0.853 -1.065 -0.122 1.00 0.38 H new ATOM 0 HA ARG A 536 3.248 -1.350 -1.644 1.00 0.44 H new ATOM 0 HB2 ARG A 536 1.080 -0.564 -2.531 1.00 0.49 H new ATOM 0 HB3 ARG A 536 1.173 0.859 -1.513 1.00 0.49 H new ATOM 0 HG2 ARG A 536 3.607 0.638 -3.059 1.00 0.59 H new ATOM 0 HG3 ARG A 536 2.226 0.506 -4.129 1.00 0.59 H new ATOM 0 HD2 ARG A 536 2.581 2.691 -2.044 1.00 0.65 H new ATOM 0 HD3 ARG A 536 2.987 2.867 -3.740 1.00 0.65 H new ATOM 0 HE ARG A 536 0.323 1.985 -3.726 1.00 0.70 H new ATOM 0 HH11 ARG A 536 2.134 4.727 -2.416 1.00 1.38 H new ATOM 0 HH12 ARG A 536 0.750 5.822 -2.499 1.00 1.38 H new ATOM 0 HH21 ARG A 536 -1.443 3.396 -3.820 1.00 0.94 H new ATOM 0 HH22 ARG A 536 -1.265 5.072 -3.290 1.00 0.94 H new ATOM 430 N VAL A 537 3.167 1.051 0.611 1.00 0.45 N ATOM 431 CA VAL A 537 4.043 1.942 1.371 1.00 0.49 C ATOM 432 C VAL A 537 5.074 1.133 2.148 1.00 0.45 C ATOM 433 O VAL A 537 6.237 1.521 2.253 1.00 0.48 O ATOM 434 CB VAL A 537 3.261 2.871 2.333 1.00 0.51 C ATOM 435 CG1 VAL A 537 2.273 3.717 1.554 1.00 0.55 C ATOM 436 CG2 VAL A 537 2.539 2.080 3.414 1.00 0.47 C ATOM 0 H VAL A 537 2.192 1.055 0.909 1.00 0.45 H new ATOM 0 HA VAL A 537 4.548 2.582 0.648 1.00 0.49 H new ATOM 0 HB VAL A 537 3.982 3.523 2.826 1.00 0.51 H new ATOM 0 HG11 VAL A 537 1.729 4.366 2.240 1.00 0.55 H new ATOM 0 HG12 VAL A 537 2.810 4.326 0.827 1.00 0.55 H new ATOM 0 HG13 VAL A 537 1.569 3.068 1.034 1.00 0.55 H new ATOM 0 HG21 VAL A 537 2.002 2.766 4.069 1.00 0.47 H new ATOM 0 HG22 VAL A 537 1.832 1.392 2.951 1.00 0.47 H new ATOM 0 HG23 VAL A 537 3.265 1.515 3.998 1.00 0.47 H new ATOM 446 N THR A 538 4.634 0.008 2.689 1.00 0.40 N ATOM 447 CA THR A 538 5.512 -0.904 3.399 1.00 0.38 C ATOM 448 C THR A 538 6.540 -1.525 2.445 1.00 0.36 C ATOM 449 O THR A 538 7.712 -1.680 2.790 1.00 0.34 O ATOM 450 CB THR A 538 4.689 -2.002 4.091 1.00 0.35 C ATOM 451 OG1 THR A 538 3.829 -1.411 5.075 1.00 0.36 O ATOM 452 CG2 THR A 538 5.588 -3.033 4.742 1.00 0.36 C ATOM 0 H THR A 538 3.661 -0.297 2.648 1.00 0.40 H new ATOM 0 HA THR A 538 6.053 -0.340 4.159 1.00 0.38 H new ATOM 0 HB THR A 538 4.088 -2.508 3.336 1.00 0.35 H new ATOM 0 HG1 THR A 538 2.975 -1.169 4.660 1.00 0.36 H new ATOM 0 HG21 THR A 538 4.977 -3.797 5.223 1.00 0.36 H new ATOM 0 HG22 THR A 538 6.218 -3.497 3.983 1.00 0.36 H new ATOM 0 HG23 THR A 538 6.217 -2.548 5.489 1.00 0.36 H new ATOM 460 N LEU A 539 6.097 -1.847 1.234 1.00 0.37 N ATOM 461 CA LEU A 539 6.976 -2.364 0.202 1.00 0.37 C ATOM 462 C LEU A 539 8.033 -1.315 -0.131 1.00 0.38 C ATOM 463 O LEU A 539 9.219 -1.620 -0.217 1.00 0.35 O ATOM 464 CB LEU A 539 6.134 -2.744 -1.033 1.00 0.42 C ATOM 465 CG LEU A 539 6.887 -3.231 -2.278 1.00 0.47 C ATOM 466 CD1 LEU A 539 7.379 -2.047 -3.083 1.00 0.52 C ATOM 467 CD2 LEU A 539 8.047 -4.143 -1.902 1.00 0.44 C ATOM 0 H LEU A 539 5.123 -1.756 0.945 1.00 0.37 H new ATOM 0 HA LEU A 539 7.492 -3.260 0.548 1.00 0.37 H new ATOM 0 HB2 LEU A 539 5.434 -3.525 -0.736 1.00 0.42 H new ATOM 0 HB3 LEU A 539 5.541 -1.875 -1.317 1.00 0.42 H new ATOM 0 HG LEU A 539 6.196 -3.812 -2.889 1.00 0.47 H new ATOM 0 HD11 LEU A 539 7.912 -2.403 -3.965 1.00 0.52 H new ATOM 0 HD12 LEU A 539 6.529 -1.440 -3.394 1.00 0.52 H new ATOM 0 HD13 LEU A 539 8.051 -1.445 -2.471 1.00 0.52 H new ATOM 0 HD21 LEU A 539 8.560 -4.471 -2.806 1.00 0.44 H new ATOM 0 HD22 LEU A 539 8.745 -3.600 -1.265 1.00 0.44 H new ATOM 0 HD23 LEU A 539 7.667 -5.012 -1.365 1.00 0.44 H new ATOM 479 N GLN A 540 7.587 -0.078 -0.297 1.00 0.43 N ATOM 480 CA GLN A 540 8.488 1.033 -0.575 1.00 0.45 C ATOM 481 C GLN A 540 9.440 1.274 0.587 1.00 0.35 C ATOM 482 O GLN A 540 10.546 1.765 0.399 1.00 0.30 O ATOM 483 CB GLN A 540 7.691 2.293 -0.876 1.00 0.58 C ATOM 484 CG GLN A 540 6.847 2.163 -2.125 1.00 0.69 C ATOM 485 CD GLN A 540 7.691 1.994 -3.375 1.00 0.73 C ATOM 486 OE1 GLN A 540 8.816 2.492 -3.453 1.00 1.05 O ATOM 487 NE2 GLN A 540 7.157 1.289 -4.361 1.00 1.55 N ATOM 0 H GLN A 540 6.602 0.183 -0.244 1.00 0.43 H new ATOM 0 HA GLN A 540 9.085 0.774 -1.449 1.00 0.45 H new ATOM 0 HB2 GLN A 540 7.046 2.521 -0.028 1.00 0.58 H new ATOM 0 HB3 GLN A 540 8.376 3.133 -0.991 1.00 0.58 H new ATOM 0 HG2 GLN A 540 6.179 1.308 -2.022 1.00 0.69 H new ATOM 0 HG3 GLN A 540 6.219 3.048 -2.230 1.00 0.69 H new ATOM 0 HE21 GLN A 540 6.223 0.893 -4.257 1.00 1.55 H new ATOM 0 HE22 GLN A 540 7.680 1.142 -5.224 1.00 1.55 H new ATOM 496 N ASN A 541 9.001 0.926 1.787 1.00 0.37 N ATOM 497 CA ASN A 541 9.858 1.001 2.971 1.00 0.34 C ATOM 498 C ASN A 541 10.977 -0.033 2.876 1.00 0.25 C ATOM 499 O ASN A 541 12.144 0.272 3.132 1.00 0.25 O ATOM 500 CB ASN A 541 9.031 0.778 4.245 1.00 0.42 C ATOM 501 CG ASN A 541 9.873 0.808 5.507 1.00 0.49 C ATOM 502 OD1 ASN A 541 10.299 -0.232 6.009 1.00 1.08 O ATOM 503 ND2 ASN A 541 10.117 2.000 6.029 1.00 1.21 N ATOM 0 H ASN A 541 8.056 0.588 1.972 1.00 0.37 H new ATOM 0 HA ASN A 541 10.303 1.995 3.018 1.00 0.34 H new ATOM 0 HB2 ASN A 541 8.259 1.545 4.310 1.00 0.42 H new ATOM 0 HB3 ASN A 541 8.520 -0.183 4.177 1.00 0.42 H new ATOM 0 HD21 ASN A 541 10.677 2.080 6.878 1.00 1.21 H new ATOM 0 HD22 ASN A 541 9.745 2.838 5.582 1.00 1.21 H new ATOM 510 N GLN A 542 10.611 -1.251 2.494 1.00 0.22 N ATOM 511 CA GLN A 542 11.587 -2.314 2.285 1.00 0.21 C ATOM 512 C GLN A 542 12.513 -1.943 1.135 1.00 0.18 C ATOM 513 O GLN A 542 13.730 -2.118 1.211 1.00 0.24 O ATOM 514 CB GLN A 542 10.878 -3.631 1.966 1.00 0.27 C ATOM 515 CG GLN A 542 9.817 -4.022 2.977 1.00 0.33 C ATOM 516 CD GLN A 542 9.040 -5.255 2.556 1.00 1.18 C ATOM 517 OE1 GLN A 542 8.554 -6.011 3.395 1.00 1.94 O ATOM 518 NE2 GLN A 542 8.930 -5.474 1.253 1.00 1.98 N ATOM 0 H GLN A 542 9.644 -1.527 2.322 1.00 0.22 H new ATOM 0 HA GLN A 542 12.170 -2.438 3.197 1.00 0.21 H new ATOM 0 HB2 GLN A 542 10.416 -3.554 0.982 1.00 0.27 H new ATOM 0 HB3 GLN A 542 11.621 -4.427 1.908 1.00 0.27 H new ATOM 0 HG2 GLN A 542 10.289 -4.206 3.942 1.00 0.33 H new ATOM 0 HG3 GLN A 542 9.126 -3.190 3.114 1.00 0.33 H new ATOM 0 HE21 GLN A 542 9.348 -4.822 0.589 1.00 1.98 H new ATOM 0 HE22 GLN A 542 8.427 -6.294 0.914 1.00 1.98 H new ATOM 527 N LEU A 543 11.912 -1.414 0.075 1.00 0.19 N ATOM 528 CA LEU A 543 12.650 -0.976 -1.097 1.00 0.23 C ATOM 529 C LEU A 543 13.567 0.187 -0.737 1.00 0.16 C ATOM 530 O LEU A 543 14.654 0.316 -1.287 1.00 0.24 O ATOM 531 CB LEU A 543 11.674 -0.586 -2.216 1.00 0.34 C ATOM 532 CG LEU A 543 12.297 -0.397 -3.601 1.00 0.46 C ATOM 533 CD1 LEU A 543 11.270 -0.689 -4.682 1.00 0.61 C ATOM 534 CD2 LEU A 543 12.843 1.015 -3.777 1.00 0.43 C ATOM 0 H LEU A 543 10.903 -1.278 0.007 1.00 0.19 H new ATOM 0 HA LEU A 543 13.271 -1.796 -1.457 1.00 0.23 H new ATOM 0 HB2 LEU A 543 10.904 -1.354 -2.286 1.00 0.34 H new ATOM 0 HB3 LEU A 543 11.175 0.341 -1.932 1.00 0.34 H new ATOM 0 HG LEU A 543 13.128 -1.097 -3.690 1.00 0.46 H new ATOM 0 HD11 LEU A 543 11.725 -0.551 -5.663 1.00 0.61 H new ATOM 0 HD12 LEU A 543 10.922 -1.717 -4.585 1.00 0.61 H new ATOM 0 HD13 LEU A 543 10.425 -0.008 -4.575 1.00 0.61 H new ATOM 0 HD21 LEU A 543 13.278 1.115 -4.771 1.00 0.43 H new ATOM 0 HD22 LEU A 543 12.033 1.735 -3.661 1.00 0.43 H new ATOM 0 HD23 LEU A 543 13.608 1.205 -3.025 1.00 0.43 H new ATOM 546 N GLN A 544 13.133 1.016 0.204 1.00 0.11 N ATOM 547 CA GLN A 544 13.944 2.112 0.700 1.00 0.20 C ATOM 548 C GLN A 544 15.240 1.572 1.303 1.00 0.29 C ATOM 549 O GLN A 544 16.329 2.064 1.009 1.00 0.37 O ATOM 550 CB GLN A 544 13.156 2.908 1.742 1.00 0.32 C ATOM 551 CG GLN A 544 13.957 4.015 2.389 1.00 0.49 C ATOM 552 CD GLN A 544 13.201 4.737 3.485 1.00 0.78 C ATOM 553 OE1 GLN A 544 13.397 5.932 3.704 1.00 1.34 O ATOM 554 NE2 GLN A 544 12.348 4.015 4.193 1.00 1.64 N ATOM 0 H GLN A 544 12.214 0.945 0.640 1.00 0.11 H new ATOM 0 HA GLN A 544 14.199 2.775 -0.127 1.00 0.20 H new ATOM 0 HB2 GLN A 544 12.274 3.338 1.268 1.00 0.32 H new ATOM 0 HB3 GLN A 544 12.802 2.227 2.516 1.00 0.32 H new ATOM 0 HG2 GLN A 544 14.874 3.596 2.804 1.00 0.49 H new ATOM 0 HG3 GLN A 544 14.252 4.735 1.626 1.00 0.49 H new ATOM 0 HE21 GLN A 544 12.215 3.027 3.978 1.00 1.64 H new ATOM 0 HE22 GLN A 544 11.823 4.447 4.954 1.00 1.64 H new ATOM 563 N GLN A 545 15.114 0.540 2.128 1.00 0.33 N ATOM 564 CA GLN A 545 16.262 -0.139 2.688 1.00 0.47 C ATOM 565 C GLN A 545 17.082 -0.797 1.577 1.00 0.50 C ATOM 566 O GLN A 545 18.312 -0.839 1.631 1.00 0.63 O ATOM 567 CB GLN A 545 15.783 -1.188 3.691 1.00 0.53 C ATOM 568 CG GLN A 545 16.903 -1.811 4.488 1.00 1.16 C ATOM 569 CD GLN A 545 16.404 -2.740 5.576 1.00 1.53 C ATOM 570 OE1 GLN A 545 16.184 -2.321 6.712 1.00 1.91 O ATOM 571 NE2 GLN A 545 16.213 -4.006 5.239 1.00 2.20 N ATOM 0 H GLN A 545 14.216 0.156 2.423 1.00 0.33 H new ATOM 0 HA GLN A 545 16.899 0.583 3.198 1.00 0.47 H new ATOM 0 HB2 GLN A 545 15.072 -0.726 4.377 1.00 0.53 H new ATOM 0 HB3 GLN A 545 15.247 -1.973 3.157 1.00 0.53 H new ATOM 0 HG2 GLN A 545 17.557 -2.366 3.815 1.00 1.16 H new ATOM 0 HG3 GLN A 545 17.505 -1.022 4.938 1.00 1.16 H new ATOM 0 HE21 GLN A 545 16.407 -4.315 4.286 1.00 2.20 H new ATOM 0 HE22 GLN A 545 15.872 -4.672 5.932 1.00 2.20 H new ATOM 580 N PHE A 546 16.382 -1.284 0.559 1.00 0.42 N ATOM 581 CA PHE A 546 17.007 -1.951 -0.575 1.00 0.53 C ATOM 582 C PHE A 546 17.821 -0.970 -1.430 1.00 0.61 C ATOM 583 O PHE A 546 18.963 -1.255 -1.788 1.00 0.77 O ATOM 584 CB PHE A 546 15.921 -2.661 -1.398 1.00 0.54 C ATOM 585 CG PHE A 546 16.212 -2.786 -2.864 1.00 0.68 C ATOM 586 CD1 PHE A 546 17.028 -3.795 -3.351 1.00 1.26 C ATOM 587 CD2 PHE A 546 15.656 -1.888 -3.758 1.00 0.93 C ATOM 588 CE1 PHE A 546 17.280 -3.904 -4.704 1.00 1.38 C ATOM 589 CE2 PHE A 546 15.904 -1.989 -5.107 1.00 1.03 C ATOM 590 CZ PHE A 546 16.718 -2.998 -5.584 1.00 0.99 C ATOM 0 H PHE A 546 15.365 -1.227 0.497 1.00 0.42 H new ATOM 0 HA PHE A 546 17.715 -2.694 -0.208 1.00 0.53 H new ATOM 0 HB2 PHE A 546 15.770 -3.659 -0.987 1.00 0.54 H new ATOM 0 HB3 PHE A 546 14.982 -2.121 -1.275 1.00 0.54 H new ATOM 0 HD1 PHE A 546 17.471 -4.503 -2.666 1.00 1.26 H new ATOM 0 HD2 PHE A 546 15.019 -1.097 -3.391 1.00 0.93 H new ATOM 0 HE1 PHE A 546 17.915 -4.695 -5.074 1.00 1.38 H new ATOM 0 HE2 PHE A 546 15.463 -1.280 -5.792 1.00 1.03 H new ATOM 0 HZ PHE A 546 16.915 -3.079 -6.643 1.00 0.99 H new ATOM 600 N LEU A 547 17.242 0.180 -1.753 1.00 0.53 N ATOM 601 CA LEU A 547 17.933 1.179 -2.559 1.00 0.64 C ATOM 602 C LEU A 547 19.161 1.712 -1.827 1.00 0.74 C ATOM 603 O LEU A 547 20.207 1.936 -2.435 1.00 0.89 O ATOM 604 CB LEU A 547 16.970 2.310 -2.957 1.00 0.59 C ATOM 605 CG LEU A 547 16.528 3.268 -1.844 1.00 0.50 C ATOM 606 CD1 LEU A 547 17.490 4.439 -1.725 1.00 0.66 C ATOM 607 CD2 LEU A 547 15.122 3.773 -2.107 1.00 0.46 C ATOM 0 H LEU A 547 16.298 0.444 -1.470 1.00 0.53 H new ATOM 0 HA LEU A 547 18.283 0.705 -3.476 1.00 0.64 H new ATOM 0 HB2 LEU A 547 17.444 2.898 -3.743 1.00 0.59 H new ATOM 0 HB3 LEU A 547 16.078 1.859 -3.391 1.00 0.59 H new ATOM 0 HG LEU A 547 16.535 2.719 -0.902 1.00 0.50 H new ATOM 0 HD11 LEU A 547 17.156 5.105 -0.929 1.00 0.66 H new ATOM 0 HD12 LEU A 547 18.488 4.068 -1.492 1.00 0.66 H new ATOM 0 HD13 LEU A 547 17.517 4.985 -2.668 1.00 0.66 H new ATOM 0 HD21 LEU A 547 14.824 4.452 -1.308 1.00 0.46 H new ATOM 0 HD22 LEU A 547 15.098 4.302 -3.060 1.00 0.46 H new ATOM 0 HD23 LEU A 547 14.433 2.929 -2.142 1.00 0.46 H new ATOM 619 N GLU A 548 19.031 1.899 -0.522 1.00 0.69 N ATOM 620 CA GLU A 548 20.154 2.327 0.298 1.00 0.85 C ATOM 621 C GLU A 548 21.222 1.238 0.365 1.00 0.97 C ATOM 622 O GLU A 548 22.418 1.527 0.428 1.00 1.12 O ATOM 623 CB GLU A 548 19.697 2.723 1.698 1.00 0.87 C ATOM 624 CG GLU A 548 18.795 3.946 1.710 1.00 0.88 C ATOM 625 CD GLU A 548 18.653 4.552 3.088 1.00 1.55 C ATOM 626 OE1 GLU A 548 18.914 3.841 4.080 1.00 1.98 O ATOM 627 OE2 GLU A 548 18.263 5.733 3.188 1.00 2.23 O ATOM 0 H GLU A 548 18.160 1.761 -0.009 1.00 0.69 H new ATOM 0 HA GLU A 548 20.592 3.208 -0.171 1.00 0.85 H new ATOM 0 HB2 GLU A 548 19.168 1.885 2.151 1.00 0.87 H new ATOM 0 HB3 GLU A 548 20.572 2.919 2.317 1.00 0.87 H new ATOM 0 HG2 GLU A 548 19.196 4.695 1.028 1.00 0.88 H new ATOM 0 HG3 GLU A 548 17.809 3.669 1.336 1.00 0.88 H new ATOM 634 N ALA A 549 20.784 -0.014 0.366 1.00 0.93 N ATOM 635 CA ALA A 549 21.705 -1.139 0.282 1.00 1.09 C ATOM 636 C ALA A 549 22.499 -1.060 -1.019 1.00 1.20 C ATOM 637 O ALA A 549 23.703 -1.313 -1.036 1.00 1.35 O ATOM 638 CB ALA A 549 20.955 -2.460 0.381 1.00 1.06 C ATOM 0 H ALA A 549 19.800 -0.275 0.424 1.00 0.93 H new ATOM 0 HA ALA A 549 22.400 -1.089 1.120 1.00 1.09 H new ATOM 0 HB1 ALA A 549 21.663 -3.286 0.316 1.00 1.06 H new ATOM 0 HB2 ALA A 549 20.428 -2.508 1.334 1.00 1.06 H new ATOM 0 HB3 ALA A 549 20.237 -2.533 -0.436 1.00 1.06 H new ATOM 644 N GLN A 550 21.822 -0.677 -2.102 1.00 1.15 N ATOM 645 CA GLN A 550 22.487 -0.471 -3.384 1.00 1.31 C ATOM 646 C GLN A 550 23.510 0.649 -3.269 1.00 1.43 C ATOM 647 O GLN A 550 24.624 0.534 -3.769 1.00 1.65 O ATOM 648 CB GLN A 550 21.486 -0.126 -4.486 1.00 1.26 C ATOM 649 CG GLN A 550 20.448 -1.197 -4.731 1.00 1.20 C ATOM 650 CD GLN A 550 19.628 -0.923 -5.975 1.00 1.71 C ATOM 651 OE1 GLN A 550 19.989 -1.343 -7.075 1.00 2.38 O ATOM 652 NE2 GLN A 550 18.525 -0.210 -5.818 1.00 2.29 N ATOM 0 H GLN A 550 20.817 -0.504 -2.115 1.00 1.15 H new ATOM 0 HA GLN A 550 22.985 -1.404 -3.649 1.00 1.31 H new ATOM 0 HB2 GLN A 550 20.980 0.803 -4.225 1.00 1.26 H new ATOM 0 HB3 GLN A 550 22.030 0.057 -5.413 1.00 1.26 H new ATOM 0 HG2 GLN A 550 20.942 -2.164 -4.829 1.00 1.20 H new ATOM 0 HG3 GLN A 550 19.785 -1.263 -3.868 1.00 1.20 H new ATOM 0 HE21 GLN A 550 18.259 0.120 -4.890 1.00 2.29 H new ATOM 0 HE22 GLN A 550 17.940 0.009 -6.625 1.00 2.29 H new ATOM 661 N LYS A 551 23.115 1.735 -2.611 1.00 1.33 N ATOM 662 CA LYS A 551 24.027 2.846 -2.346 1.00 1.50 C ATOM 663 C LYS A 551 25.256 2.352 -1.593 1.00 1.72 C ATOM 664 O LYS A 551 26.386 2.692 -1.937 1.00 2.01 O ATOM 665 CB LYS A 551 23.342 3.931 -1.514 1.00 1.43 C ATOM 666 CG LYS A 551 22.086 4.523 -2.133 1.00 1.36 C ATOM 667 CD LYS A 551 22.375 5.231 -3.446 1.00 1.66 C ATOM 668 CE LYS A 551 21.204 6.103 -3.871 1.00 1.93 C ATOM 669 NZ LYS A 551 21.074 7.309 -3.008 1.00 2.36 N ATOM 0 H LYS A 551 22.170 1.871 -2.251 1.00 1.33 H new ATOM 0 HA LYS A 551 24.324 3.266 -3.307 1.00 1.50 H new ATOM 0 HB2 LYS A 551 23.086 3.513 -0.540 1.00 1.43 H new ATOM 0 HB3 LYS A 551 24.055 4.736 -1.338 1.00 1.43 H new ATOM 0 HG2 LYS A 551 21.357 3.730 -2.302 1.00 1.36 H new ATOM 0 HG3 LYS A 551 21.635 5.227 -1.434 1.00 1.36 H new ATOM 0 HD2 LYS A 551 23.270 5.845 -3.342 1.00 1.66 H new ATOM 0 HD3 LYS A 551 22.583 4.494 -4.221 1.00 1.66 H new ATOM 0 HE2 LYS A 551 21.337 6.410 -4.908 1.00 1.93 H new ATOM 0 HE3 LYS A 551 20.283 5.522 -3.826 1.00 1.93 H new ATOM 0 HZ1 LYS A 551 20.472 8.012 -3.482 1.00 2.36 H new ATOM 0 HZ2 LYS A 551 20.644 7.041 -2.100 1.00 2.36 H new ATOM 0 HZ3 LYS A 551 22.015 7.718 -2.839 1.00 2.36 H new ATOM 683 N SER A 552 25.020 1.536 -0.574 1.00 1.61 N ATOM 684 CA SER A 552 26.090 0.996 0.253 1.00 1.82 C ATOM 685 C SER A 552 27.045 0.128 -0.568 1.00 1.95 C ATOM 686 O SER A 552 28.250 0.100 -0.312 1.00 2.23 O ATOM 687 CB SER A 552 25.489 0.193 1.410 1.00 1.69 C ATOM 688 OG SER A 552 24.602 0.999 2.165 1.00 1.76 O ATOM 0 H SER A 552 24.086 1.231 -0.299 1.00 1.61 H new ATOM 0 HA SER A 552 26.670 1.827 0.655 1.00 1.82 H new ATOM 0 HB2 SER A 552 24.958 -0.676 1.020 1.00 1.69 H new ATOM 0 HB3 SER A 552 26.286 -0.182 2.053 1.00 1.69 H new ATOM 0 HG SER A 552 23.797 1.182 1.637 1.00 1.76 H new ATOM 694 N GLU A 553 26.511 -0.570 -1.561 1.00 1.81 N ATOM 695 CA GLU A 553 27.337 -1.393 -2.434 1.00 2.00 C ATOM 696 C GLU A 553 28.028 -0.537 -3.486 1.00 2.25 C ATOM 697 O GLU A 553 29.194 -0.756 -3.816 1.00 2.55 O ATOM 698 CB GLU A 553 26.497 -2.479 -3.101 1.00 1.88 C ATOM 699 CG GLU A 553 25.937 -3.479 -2.114 1.00 1.75 C ATOM 700 CD GLU A 553 27.021 -4.191 -1.334 1.00 1.97 C ATOM 701 OE1 GLU A 553 27.623 -5.137 -1.878 1.00 1.91 O ATOM 702 OE2 GLU A 553 27.281 -3.808 -0.175 1.00 2.46 O ATOM 0 H GLU A 553 25.515 -0.583 -1.781 1.00 1.81 H new ATOM 0 HA GLU A 553 28.102 -1.873 -1.824 1.00 2.00 H new ATOM 0 HB2 GLU A 553 25.675 -2.013 -3.644 1.00 1.88 H new ATOM 0 HB3 GLU A 553 27.108 -3.004 -3.836 1.00 1.88 H new ATOM 0 HG2 GLU A 553 25.271 -2.966 -1.420 1.00 1.75 H new ATOM 0 HG3 GLU A 553 25.335 -4.214 -2.648 1.00 1.75 H new ATOM 709 N GLY A 554 27.300 0.444 -4.001 1.00 2.16 N ATOM 710 CA GLY A 554 27.837 1.332 -5.011 1.00 2.43 C ATOM 711 C GLY A 554 28.946 2.215 -4.478 1.00 2.68 C ATOM 712 O GLY A 554 29.943 2.443 -5.161 1.00 2.98 O ATOM 0 H GLY A 554 26.336 0.642 -3.733 1.00 2.16 H new ATOM 0 HA2 GLY A 554 28.217 0.741 -5.845 1.00 2.43 H new ATOM 0 HA3 GLY A 554 27.035 1.958 -5.403 1.00 2.43 H new ATOM 716 N LYS A 555 28.779 2.711 -3.255 1.00 2.59 N ATOM 717 CA LYS A 555 29.789 3.568 -2.635 1.00 2.88 C ATOM 718 C LYS A 555 31.053 2.774 -2.315 1.00 3.09 C ATOM 719 O LYS A 555 32.114 3.345 -2.054 1.00 3.44 O ATOM 720 CB LYS A 555 29.234 4.217 -1.363 1.00 2.82 C ATOM 721 CG LYS A 555 29.066 3.262 -0.191 1.00 2.71 C ATOM 722 CD LYS A 555 28.434 3.959 1.006 1.00 2.71 C ATOM 723 CE LYS A 555 28.336 3.032 2.208 1.00 2.99 C ATOM 724 NZ LYS A 555 27.695 3.694 3.374 1.00 3.58 N ATOM 0 H LYS A 555 27.958 2.536 -2.675 1.00 2.59 H new ATOM 0 HA LYS A 555 30.048 4.354 -3.344 1.00 2.88 H new ATOM 0 HB2 LYS A 555 29.899 5.027 -1.063 1.00 2.82 H new ATOM 0 HB3 LYS A 555 28.267 4.666 -1.591 1.00 2.82 H new ATOM 0 HG2 LYS A 555 28.445 2.419 -0.493 1.00 2.71 H new ATOM 0 HG3 LYS A 555 30.037 2.857 0.093 1.00 2.71 H new ATOM 0 HD2 LYS A 555 29.024 4.836 1.270 1.00 2.71 H new ATOM 0 HD3 LYS A 555 27.439 4.313 0.737 1.00 2.71 H new ATOM 0 HE2 LYS A 555 27.764 2.145 1.936 1.00 2.99 H new ATOM 0 HE3 LYS A 555 29.334 2.694 2.487 1.00 2.99 H new ATOM 0 HZ1 LYS A 555 27.649 3.026 4.170 1.00 3.58 H new ATOM 0 HZ2 LYS A 555 28.254 4.526 3.652 1.00 3.58 H new ATOM 0 HZ3 LYS A 555 26.733 3.994 3.117 1.00 3.58 H new ATOM 738 N SER A 556 30.933 1.453 -2.343 1.00 2.91 N ATOM 739 CA SER A 556 32.061 0.575 -2.094 1.00 3.12 C ATOM 740 C SER A 556 32.907 0.451 -3.360 1.00 3.40 C ATOM 741 O SER A 556 32.844 -0.550 -4.081 1.00 3.67 O ATOM 742 CB SER A 556 31.574 -0.805 -1.628 1.00 2.84 C ATOM 743 OG SER A 556 32.659 -1.621 -1.216 1.00 3.07 O ATOM 0 H SER A 556 30.058 0.967 -2.537 1.00 2.91 H new ATOM 0 HA SER A 556 32.676 1.001 -1.301 1.00 3.12 H new ATOM 0 HB2 SER A 556 30.872 -0.686 -0.803 1.00 2.84 H new ATOM 0 HB3 SER A 556 31.034 -1.295 -2.438 1.00 2.84 H new ATOM 0 HG SER A 556 32.320 -2.493 -0.923 1.00 3.07 H new ATOM 749 N LEU A 557 33.672 1.493 -3.638 1.00 3.70 N ATOM 750 CA LEU A 557 34.544 1.521 -4.798 1.00 4.05 C ATOM 751 C LEU A 557 35.787 2.326 -4.448 1.00 4.48 C ATOM 752 O LEU A 557 35.770 3.562 -4.617 1.00 4.98 O ATOM 753 CB LEU A 557 33.805 2.137 -5.996 1.00 4.73 C ATOM 754 CG LEU A 557 34.324 1.747 -7.388 1.00 5.04 C ATOM 755 CD1 LEU A 557 33.346 2.206 -8.457 1.00 5.74 C ATOM 756 CD2 LEU A 557 35.698 2.348 -7.652 1.00 5.35 C ATOM 757 OXT LEU A 557 36.757 1.724 -3.950 1.00 4.73 O ATOM 0 H LEU A 557 33.706 2.339 -3.069 1.00 3.70 H new ATOM 0 HA LEU A 557 34.838 0.509 -5.075 1.00 4.05 H new ATOM 0 HB2 LEU A 557 32.754 1.856 -5.931 1.00 4.73 H new ATOM 0 HB3 LEU A 557 33.851 3.222 -5.905 1.00 4.73 H new ATOM 0 HG LEU A 557 34.414 0.661 -7.422 1.00 5.04 H new ATOM 0 HD11 LEU A 557 33.723 1.925 -9.440 1.00 5.74 H new ATOM 0 HD12 LEU A 557 32.378 1.734 -8.291 1.00 5.74 H new ATOM 0 HD13 LEU A 557 33.235 3.289 -8.407 1.00 5.74 H new ATOM 0 HD21 LEU A 557 36.039 2.054 -8.645 1.00 5.35 H new ATOM 0 HD22 LEU A 557 35.637 3.435 -7.596 1.00 5.35 H new ATOM 0 HD23 LEU A 557 36.403 1.986 -6.904 1.00 5.35 H new TER 769 LEU A 557