USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=13 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= 0.00907 USER MOD Single : A 515 CYS SG : rot 10:sc= 0.931 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 1:sc= 0.55 USER MOD Single : A 521 GLN : amide:sc= -0.0338 K(o=-0.034,f=-1.2!) USER MOD Single : A 524 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0949) USER MOD Single : A 526 THR OG1 : rot 180:sc= 0 USER MOD Single : A 527 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 528 GLN : amide:sc= -0.161 K(o=-0.16,f=-0.89) USER MOD Single : A 530 LYS NZ :NH3+ 167:sc=-0.00984 (180deg=-0.168) USER MOD Single : A 532 GLN : amide:sc= -0.0338 K(o=-0.034,f=-1.1) USER MOD Single : A 533 THR OG1 : rot 80:sc= 1.3 USER MOD Single : A 538 THR OG1 : rot 76:sc= 1.22 USER MOD Single : A 540 GLN : amide:sc= -1.08 K(o=-1.1,f=-0.03) USER MOD Single : A 541 ASN : amide:sc= -0.0506 K(o=-0.051,f=-0.68!) USER MOD Single : A 542 GLN : amide:sc= -0.917 K(o=-0.92,f=0) USER MOD Single : A 544 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 545 GLN : amide:sc= -1.8! K(o=-1.8!,f=-0.18) USER MOD Single : A 550 GLN : amide:sc= -5.18! K(o=-5.2!,f=-0.71) USER MOD Single : A 551 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 552 SER OG : rot 80:sc= 0.603 USER MOD Single : A 555 LYS NZ :NH3+ -167:sc= -0.0289 (180deg=-0.24) USER MOD Single : A 556 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 510 -38.975 2.953 -3.699 1.00 9.10 N ATOM 2 CA GLY A 510 -37.936 1.949 -3.385 1.00 8.55 C ATOM 3 C GLY A 510 -36.735 2.087 -4.290 1.00 7.83 C ATOM 4 O GLY A 510 -36.340 3.201 -4.631 1.00 8.04 O ATOM 0 HA2 GLY A 510 -37.624 2.061 -2.347 1.00 8.55 H new ATOM 0 HA3 GLY A 510 -38.355 0.948 -3.486 1.00 8.55 H new ATOM 10 N SER A 511 -36.169 0.950 -4.691 1.00 7.22 N ATOM 11 CA SER A 511 -34.987 0.921 -5.548 1.00 6.73 C ATOM 12 C SER A 511 -33.808 1.627 -4.878 1.00 6.19 C ATOM 13 O SER A 511 -33.047 2.352 -5.517 1.00 5.90 O ATOM 14 CB SER A 511 -35.300 1.544 -6.914 1.00 6.95 C ATOM 15 OG SER A 511 -36.383 0.868 -7.541 1.00 7.47 O ATOM 0 H SER A 511 -36.516 0.027 -4.432 1.00 7.22 H new ATOM 0 HA SER A 511 -34.703 -0.119 -5.706 1.00 6.73 H new ATOM 0 HB2 SER A 511 -35.546 2.598 -6.790 1.00 6.95 H new ATOM 0 HB3 SER A 511 -34.417 1.496 -7.552 1.00 6.95 H new ATOM 0 HG SER A 511 -36.568 1.282 -8.410 1.00 7.47 H new ATOM 21 N VAL A 512 -33.672 1.403 -3.577 1.00 6.20 N ATOM 22 CA VAL A 512 -32.576 1.965 -2.803 1.00 5.78 C ATOM 23 C VAL A 512 -31.483 0.921 -2.629 1.00 5.49 C ATOM 24 O VAL A 512 -30.294 1.241 -2.573 1.00 5.11 O ATOM 25 CB VAL A 512 -33.056 2.450 -1.414 1.00 6.06 C ATOM 26 CG1 VAL A 512 -31.879 2.872 -0.541 1.00 5.88 C ATOM 27 CG2 VAL A 512 -34.046 3.594 -1.563 1.00 6.40 C ATOM 0 H VAL A 512 -34.316 0.829 -3.032 1.00 6.20 H new ATOM 0 HA VAL A 512 -32.185 2.825 -3.347 1.00 5.78 H new ATOM 0 HB VAL A 512 -33.557 1.617 -0.922 1.00 6.06 H new ATOM 0 HG11 VAL A 512 -32.247 3.208 0.428 1.00 5.88 H new ATOM 0 HG12 VAL A 512 -31.208 2.025 -0.401 1.00 5.88 H new ATOM 0 HG13 VAL A 512 -31.340 3.686 -1.026 1.00 5.88 H new ATOM 0 HG21 VAL A 512 -34.373 3.923 -0.577 1.00 6.40 H new ATOM 0 HG22 VAL A 512 -33.567 4.424 -2.082 1.00 6.40 H new ATOM 0 HG23 VAL A 512 -34.909 3.256 -2.138 1.00 6.40 H new ATOM 37 N GLU A 513 -31.899 -0.337 -2.573 1.00 5.73 N ATOM 38 CA GLU A 513 -30.987 -1.451 -2.399 1.00 5.58 C ATOM 39 C GLU A 513 -29.962 -1.503 -3.531 1.00 5.26 C ATOM 40 O GLU A 513 -28.809 -1.879 -3.321 1.00 4.95 O ATOM 41 CB GLU A 513 -31.793 -2.744 -2.329 1.00 6.03 C ATOM 42 CG GLU A 513 -30.950 -3.993 -2.204 1.00 6.54 C ATOM 43 CD GLU A 513 -31.789 -5.249 -2.140 1.00 7.02 C ATOM 44 OE1 GLU A 513 -32.268 -5.595 -1.040 1.00 7.40 O ATOM 45 OE2 GLU A 513 -31.979 -5.895 -3.190 1.00 7.27 O ATOM 0 H GLU A 513 -32.879 -0.610 -2.647 1.00 5.73 H new ATOM 0 HA GLU A 513 -30.432 -1.321 -1.470 1.00 5.58 H new ATOM 0 HB2 GLU A 513 -32.472 -2.690 -1.478 1.00 6.03 H new ATOM 0 HB3 GLU A 513 -32.410 -2.823 -3.224 1.00 6.03 H new ATOM 0 HG2 GLU A 513 -30.270 -4.056 -3.054 1.00 6.54 H new ATOM 0 HG3 GLU A 513 -30.334 -3.924 -1.307 1.00 6.54 H new ATOM 52 N THR A 514 -30.378 -1.091 -4.722 1.00 5.38 N ATOM 53 CA THR A 514 -29.508 -1.099 -5.889 1.00 5.15 C ATOM 54 C THR A 514 -28.341 -0.122 -5.724 1.00 4.74 C ATOM 55 O THR A 514 -27.182 -0.485 -5.933 1.00 4.68 O ATOM 56 CB THR A 514 -30.304 -0.754 -7.159 1.00 5.39 C ATOM 57 OG1 THR A 514 -31.151 0.378 -6.911 1.00 5.70 O ATOM 58 CG2 THR A 514 -31.149 -1.932 -7.609 1.00 5.67 C ATOM 0 H THR A 514 -31.320 -0.745 -4.905 1.00 5.38 H new ATOM 0 HA THR A 514 -29.099 -2.105 -5.986 1.00 5.15 H new ATOM 0 HB THR A 514 -29.594 -0.515 -7.951 1.00 5.39 H new ATOM 0 HG1 THR A 514 -31.654 0.594 -7.724 1.00 5.70 H new ATOM 0 HG21 THR A 514 -31.701 -1.661 -8.509 1.00 5.67 H new ATOM 0 HG22 THR A 514 -30.502 -2.783 -7.823 1.00 5.67 H new ATOM 0 HG23 THR A 514 -31.851 -2.199 -6.819 1.00 5.67 H new ATOM 66 N CYS A 515 -28.646 1.112 -5.335 1.00 4.56 N ATOM 67 CA CYS A 515 -27.615 2.124 -5.148 1.00 4.21 C ATOM 68 C CYS A 515 -26.871 1.917 -3.834 1.00 3.93 C ATOM 69 O CYS A 515 -25.707 2.290 -3.703 1.00 3.56 O ATOM 70 CB CYS A 515 -28.219 3.526 -5.218 1.00 4.40 C ATOM 71 SG CYS A 515 -29.738 3.735 -4.262 1.00 4.96 S ATOM 0 H CYS A 515 -29.595 1.433 -5.144 1.00 4.56 H new ATOM 0 HA CYS A 515 -26.892 2.022 -5.957 1.00 4.21 H new ATOM 0 HB2 CYS A 515 -27.480 4.245 -4.864 1.00 4.40 H new ATOM 0 HB3 CYS A 515 -28.425 3.768 -6.261 1.00 4.40 H new ATOM 0 HG CYS A 515 -29.923 2.693 -3.507 1.00 4.96 H new ATOM 77 N MET A 516 -27.547 1.335 -2.858 1.00 4.13 N ATOM 78 CA MET A 516 -26.898 0.968 -1.608 1.00 3.95 C ATOM 79 C MET A 516 -25.828 -0.093 -1.868 1.00 3.70 C ATOM 80 O MET A 516 -24.740 -0.046 -1.297 1.00 3.40 O ATOM 81 CB MET A 516 -27.938 0.480 -0.594 1.00 4.28 C ATOM 82 CG MET A 516 -27.357 0.117 0.765 1.00 4.27 C ATOM 83 SD MET A 516 -26.673 -1.554 0.831 1.00 4.83 S ATOM 84 CE MET A 516 -26.063 -1.593 2.514 1.00 5.80 C ATOM 0 H MET A 516 -28.540 1.107 -2.905 1.00 4.13 H new ATOM 0 HA MET A 516 -26.408 1.845 -1.185 1.00 3.95 H new ATOM 0 HB2 MET A 516 -28.691 1.256 -0.460 1.00 4.28 H new ATOM 0 HB3 MET A 516 -28.448 -0.392 -1.004 1.00 4.28 H new ATOM 0 HG2 MET A 516 -26.575 0.832 1.020 1.00 4.27 H new ATOM 0 HG3 MET A 516 -28.135 0.213 1.522 1.00 4.27 H new ATOM 0 HE1 MET A 516 -25.609 -2.563 2.714 1.00 5.80 H new ATOM 0 HE2 MET A 516 -25.318 -0.809 2.649 1.00 5.80 H new ATOM 0 HE3 MET A 516 -26.890 -1.431 3.205 1.00 5.80 H new ATOM 94 N SER A 517 -26.140 -1.025 -2.764 1.00 3.87 N ATOM 95 CA SER A 517 -25.243 -2.132 -3.083 1.00 3.73 C ATOM 96 C SER A 517 -23.973 -1.642 -3.782 1.00 3.38 C ATOM 97 O SER A 517 -22.866 -2.078 -3.453 1.00 3.11 O ATOM 98 CB SER A 517 -25.974 -3.147 -3.967 1.00 4.09 C ATOM 99 OG SER A 517 -25.213 -4.331 -4.145 1.00 4.52 O ATOM 0 H SER A 517 -27.016 -1.035 -3.287 1.00 3.87 H new ATOM 0 HA SER A 517 -24.943 -2.608 -2.149 1.00 3.73 H new ATOM 0 HB2 SER A 517 -26.935 -3.396 -3.517 1.00 4.09 H new ATOM 0 HB3 SER A 517 -26.183 -2.699 -4.939 1.00 4.09 H new ATOM 0 HG SER A 517 -25.710 -4.957 -4.712 1.00 4.52 H new ATOM 105 N LEU A 518 -24.122 -0.750 -4.756 1.00 3.41 N ATOM 106 CA LEU A 518 -22.965 -0.231 -5.471 1.00 3.15 C ATOM 107 C LEU A 518 -22.083 0.619 -4.562 1.00 2.83 C ATOM 108 O LEU A 518 -20.858 0.561 -4.641 1.00 2.54 O ATOM 109 CB LEU A 518 -23.380 0.547 -6.735 1.00 3.32 C ATOM 110 CG LEU A 518 -24.499 1.588 -6.590 1.00 3.52 C ATOM 111 CD1 LEU A 518 -23.956 2.925 -6.101 1.00 3.34 C ATOM 112 CD2 LEU A 518 -25.228 1.767 -7.912 1.00 3.86 C ATOM 0 H LEU A 518 -25.020 -0.377 -5.064 1.00 3.41 H new ATOM 0 HA LEU A 518 -22.375 -1.088 -5.795 1.00 3.15 H new ATOM 0 HB2 LEU A 518 -22.497 1.054 -7.123 1.00 3.32 H new ATOM 0 HB3 LEU A 518 -23.689 -0.177 -7.489 1.00 3.32 H new ATOM 0 HG LEU A 518 -25.202 1.220 -5.843 1.00 3.52 H new ATOM 0 HD11 LEU A 518 -24.775 3.639 -6.010 1.00 3.34 H new ATOM 0 HD12 LEU A 518 -23.481 2.791 -5.129 1.00 3.34 H new ATOM 0 HD13 LEU A 518 -23.223 3.303 -6.814 1.00 3.34 H new ATOM 0 HD21 LEU A 518 -26.019 2.508 -7.794 1.00 3.86 H new ATOM 0 HD22 LEU A 518 -24.524 2.105 -8.673 1.00 3.86 H new ATOM 0 HD23 LEU A 518 -25.664 0.816 -8.218 1.00 3.86 H new ATOM 124 N ALA A 519 -22.713 1.389 -3.691 1.00 2.92 N ATOM 125 CA ALA A 519 -21.991 2.245 -2.760 1.00 2.71 C ATOM 126 C ALA A 519 -21.166 1.426 -1.767 1.00 2.50 C ATOM 127 O ALA A 519 -20.009 1.753 -1.498 1.00 2.24 O ATOM 128 CB ALA A 519 -22.961 3.153 -2.026 1.00 2.96 C ATOM 0 H ALA A 519 -23.728 1.440 -3.608 1.00 2.92 H new ATOM 0 HA ALA A 519 -21.297 2.857 -3.336 1.00 2.71 H new ATOM 0 HB1 ALA A 519 -22.411 3.789 -1.332 1.00 2.96 H new ATOM 0 HB2 ALA A 519 -23.492 3.776 -2.746 1.00 2.96 H new ATOM 0 HB3 ALA A 519 -23.678 2.547 -1.472 1.00 2.96 H new ATOM 134 N SER A 520 -21.750 0.357 -1.236 1.00 2.66 N ATOM 135 CA SER A 520 -21.033 -0.518 -0.316 1.00 2.54 C ATOM 136 C SER A 520 -19.894 -1.231 -1.042 1.00 2.31 C ATOM 137 O SER A 520 -18.829 -1.456 -0.471 1.00 2.10 O ATOM 138 CB SER A 520 -21.988 -1.525 0.326 1.00 2.83 C ATOM 139 OG SER A 520 -22.727 -2.228 -0.654 1.00 2.98 O ATOM 0 H SER A 520 -22.712 0.077 -1.425 1.00 2.66 H new ATOM 0 HA SER A 520 -20.604 0.091 0.480 1.00 2.54 H new ATOM 0 HB2 SER A 520 -21.421 -2.231 0.933 1.00 2.83 H new ATOM 0 HB3 SER A 520 -22.672 -1.005 0.997 1.00 2.83 H new ATOM 0 HG SER A 520 -22.455 -1.928 -1.546 1.00 2.98 H new ATOM 145 N GLN A 521 -20.119 -1.572 -2.311 1.00 2.40 N ATOM 146 CA GLN A 521 -19.077 -2.174 -3.132 1.00 2.26 C ATOM 147 C GLN A 521 -17.900 -1.211 -3.273 1.00 1.95 C ATOM 148 O GLN A 521 -16.748 -1.602 -3.117 1.00 1.75 O ATOM 149 CB GLN A 521 -19.613 -2.540 -4.514 1.00 2.49 C ATOM 150 CG GLN A 521 -18.587 -3.236 -5.392 1.00 2.84 C ATOM 151 CD GLN A 521 -19.000 -3.279 -6.848 1.00 3.23 C ATOM 152 OE1 GLN A 521 -19.682 -2.380 -7.336 1.00 3.85 O ATOM 153 NE2 GLN A 521 -18.588 -4.318 -7.554 1.00 3.40 N ATOM 0 H GLN A 521 -21.011 -1.441 -2.788 1.00 2.40 H new ATOM 0 HA GLN A 521 -18.741 -3.087 -2.640 1.00 2.26 H new ATOM 0 HB2 GLN A 521 -20.482 -3.188 -4.399 1.00 2.49 H new ATOM 0 HB3 GLN A 521 -19.955 -1.634 -5.015 1.00 2.49 H new ATOM 0 HG2 GLN A 521 -17.630 -2.721 -5.305 1.00 2.84 H new ATOM 0 HG3 GLN A 521 -18.436 -4.253 -5.031 1.00 2.84 H new ATOM 0 HE21 GLN A 521 -18.023 -5.043 -7.112 1.00 3.40 H new ATOM 0 HE22 GLN A 521 -18.835 -4.394 -8.541 1.00 3.40 H new ATOM 162 N VAL A 522 -18.206 0.053 -3.554 1.00 1.94 N ATOM 163 CA VAL A 522 -17.184 1.097 -3.634 1.00 1.71 C ATOM 164 C VAL A 522 -16.430 1.201 -2.313 1.00 1.52 C ATOM 165 O VAL A 522 -15.213 1.379 -2.288 1.00 1.28 O ATOM 166 CB VAL A 522 -17.798 2.469 -4.000 1.00 1.86 C ATOM 167 CG1 VAL A 522 -16.736 3.563 -3.993 1.00 1.69 C ATOM 168 CG2 VAL A 522 -18.475 2.400 -5.360 1.00 2.07 C ATOM 0 H VAL A 522 -19.155 0.381 -3.731 1.00 1.94 H new ATOM 0 HA VAL A 522 -16.489 0.818 -4.426 1.00 1.71 H new ATOM 0 HB VAL A 522 -18.546 2.717 -3.247 1.00 1.86 H new ATOM 0 HG11 VAL A 522 -17.195 4.517 -4.254 1.00 1.69 H new ATOM 0 HG12 VAL A 522 -16.292 3.633 -3.000 1.00 1.69 H new ATOM 0 HG13 VAL A 522 -15.961 3.322 -4.721 1.00 1.69 H new ATOM 0 HG21 VAL A 522 -18.902 3.373 -5.604 1.00 2.07 H new ATOM 0 HG22 VAL A 522 -17.741 2.126 -6.118 1.00 2.07 H new ATOM 0 HG23 VAL A 522 -19.267 1.652 -5.334 1.00 2.07 H new ATOM 178 N VAL A 523 -17.166 1.072 -1.219 1.00 1.66 N ATOM 179 CA VAL A 523 -16.588 1.062 0.110 1.00 1.58 C ATOM 180 C VAL A 523 -15.603 -0.109 0.257 1.00 1.41 C ATOM 181 O VAL A 523 -14.532 0.035 0.850 1.00 1.24 O ATOM 182 CB VAL A 523 -17.713 0.997 1.171 1.00 1.85 C ATOM 183 CG1 VAL A 523 -17.247 0.324 2.444 1.00 1.86 C ATOM 184 CG2 VAL A 523 -18.243 2.390 1.470 1.00 1.98 C ATOM 0 H VAL A 523 -18.181 0.971 -1.231 1.00 1.66 H new ATOM 0 HA VAL A 523 -16.027 1.983 0.267 1.00 1.58 H new ATOM 0 HB VAL A 523 -18.520 0.393 0.757 1.00 1.85 H new ATOM 0 HG11 VAL A 523 -18.066 0.299 3.163 1.00 1.86 H new ATOM 0 HG12 VAL A 523 -16.928 -0.694 2.221 1.00 1.86 H new ATOM 0 HG13 VAL A 523 -16.411 0.882 2.866 1.00 1.86 H new ATOM 0 HG21 VAL A 523 -19.033 2.326 2.218 1.00 1.98 H new ATOM 0 HG22 VAL A 523 -17.434 3.013 1.850 1.00 1.98 H new ATOM 0 HG23 VAL A 523 -18.643 2.831 0.557 1.00 1.98 H new ATOM 194 N LYS A 524 -15.964 -1.255 -0.310 1.00 1.52 N ATOM 195 CA LYS A 524 -15.079 -2.418 -0.324 1.00 1.44 C ATOM 196 C LYS A 524 -13.843 -2.159 -1.180 1.00 1.21 C ATOM 197 O LYS A 524 -12.729 -2.510 -0.790 1.00 1.07 O ATOM 198 CB LYS A 524 -15.817 -3.658 -0.830 1.00 1.69 C ATOM 199 CG LYS A 524 -16.390 -4.522 0.275 1.00 1.91 C ATOM 200 CD LYS A 524 -17.528 -3.825 0.988 1.00 2.09 C ATOM 201 CE LYS A 524 -17.987 -4.606 2.205 1.00 2.33 C ATOM 202 NZ LYS A 524 -18.480 -5.962 1.838 1.00 2.48 N ATOM 0 H LYS A 524 -16.864 -1.405 -0.767 1.00 1.52 H new ATOM 0 HA LYS A 524 -14.756 -2.598 0.701 1.00 1.44 H new ATOM 0 HB2 LYS A 524 -16.626 -3.344 -1.489 1.00 1.69 H new ATOM 0 HB3 LYS A 524 -15.132 -4.258 -1.429 1.00 1.69 H new ATOM 0 HG2 LYS A 524 -16.744 -5.464 -0.144 1.00 1.91 H new ATOM 0 HG3 LYS A 524 -15.606 -4.767 0.991 1.00 1.91 H new ATOM 0 HD2 LYS A 524 -17.210 -2.828 1.293 1.00 2.09 H new ATOM 0 HD3 LYS A 524 -18.364 -3.697 0.301 1.00 2.09 H new ATOM 0 HE2 LYS A 524 -17.161 -4.698 2.910 1.00 2.33 H new ATOM 0 HE3 LYS A 524 -18.780 -4.056 2.712 1.00 2.33 H new ATOM 0 HZ1 LYS A 524 -18.924 -6.406 2.667 1.00 2.48 H new ATOM 0 HZ2 LYS A 524 -19.179 -5.882 1.072 1.00 2.48 H new ATOM 0 HZ3 LYS A 524 -17.682 -6.547 1.518 1.00 2.48 H new ATOM 216 N LEU A 525 -14.036 -1.538 -2.342 1.00 1.21 N ATOM 217 CA LEU A 525 -12.916 -1.172 -3.207 1.00 1.06 C ATOM 218 C LEU A 525 -11.996 -0.196 -2.490 1.00 0.82 C ATOM 219 O LEU A 525 -10.778 -0.262 -2.627 1.00 0.67 O ATOM 220 CB LEU A 525 -13.397 -0.562 -4.531 1.00 1.19 C ATOM 221 CG LEU A 525 -13.674 -1.562 -5.656 1.00 1.42 C ATOM 222 CD1 LEU A 525 -14.830 -2.474 -5.295 1.00 1.62 C ATOM 223 CD2 LEU A 525 -13.953 -0.827 -6.957 1.00 1.56 C ATOM 0 H LEU A 525 -14.953 -1.279 -2.705 1.00 1.21 H new ATOM 0 HA LEU A 525 -12.367 -2.084 -3.439 1.00 1.06 H new ATOM 0 HB2 LEU A 525 -14.308 0.005 -4.340 1.00 1.19 H new ATOM 0 HB3 LEU A 525 -12.647 0.149 -4.877 1.00 1.19 H new ATOM 0 HG LEU A 525 -12.788 -2.182 -5.792 1.00 1.42 H new ATOM 0 HD11 LEU A 525 -15.008 -3.176 -6.110 1.00 1.62 H new ATOM 0 HD12 LEU A 525 -14.588 -3.026 -4.387 1.00 1.62 H new ATOM 0 HD13 LEU A 525 -15.726 -1.877 -5.128 1.00 1.62 H new ATOM 0 HD21 LEU A 525 -14.148 -1.550 -7.749 1.00 1.56 H new ATOM 0 HD22 LEU A 525 -14.823 -0.183 -6.831 1.00 1.56 H new ATOM 0 HD23 LEU A 525 -13.088 -0.220 -7.225 1.00 1.56 H new ATOM 235 N THR A 526 -12.592 0.693 -1.707 1.00 0.84 N ATOM 236 CA THR A 526 -11.846 1.647 -0.921 1.00 0.73 C ATOM 237 C THR A 526 -11.031 0.923 0.158 1.00 0.62 C ATOM 238 O THR A 526 -9.902 1.310 0.471 1.00 0.52 O ATOM 239 CB THR A 526 -12.815 2.685 -0.309 1.00 0.91 C ATOM 240 OG1 THR A 526 -12.856 3.866 -1.123 1.00 1.14 O ATOM 241 CG2 THR A 526 -12.447 3.038 1.117 1.00 1.40 C ATOM 0 H THR A 526 -13.604 0.767 -1.604 1.00 0.84 H new ATOM 0 HA THR A 526 -11.141 2.179 -1.560 1.00 0.73 H new ATOM 0 HB THR A 526 -13.806 2.232 -0.284 1.00 0.91 H new ATOM 0 HG1 THR A 526 -13.474 4.515 -0.727 1.00 1.14 H new ATOM 0 HG21 THR A 526 -13.155 3.770 1.505 1.00 1.40 H new ATOM 0 HG22 THR A 526 -12.479 2.140 1.734 1.00 1.40 H new ATOM 0 HG23 THR A 526 -11.442 3.458 1.140 1.00 1.40 H new ATOM 249 N LYS A 527 -11.603 -0.149 0.698 1.00 0.72 N ATOM 250 CA LYS A 527 -10.904 -0.986 1.662 1.00 0.71 C ATOM 251 C LYS A 527 -9.714 -1.669 0.994 1.00 0.55 C ATOM 252 O LYS A 527 -8.618 -1.720 1.557 1.00 0.47 O ATOM 253 CB LYS A 527 -11.857 -2.037 2.242 1.00 0.91 C ATOM 254 CG LYS A 527 -11.234 -2.887 3.337 1.00 1.04 C ATOM 255 CD LYS A 527 -10.930 -2.060 4.575 1.00 1.12 C ATOM 256 CE LYS A 527 -12.201 -1.516 5.205 1.00 1.24 C ATOM 257 NZ LYS A 527 -11.918 -0.640 6.371 1.00 1.60 N ATOM 0 H LYS A 527 -12.551 -0.457 0.482 1.00 0.72 H new ATOM 0 HA LYS A 527 -10.541 -0.357 2.475 1.00 0.71 H new ATOM 0 HB2 LYS A 527 -12.738 -1.535 2.641 1.00 0.91 H new ATOM 0 HB3 LYS A 527 -12.198 -2.689 1.438 1.00 0.91 H new ATOM 0 HG2 LYS A 527 -11.911 -3.700 3.598 1.00 1.04 H new ATOM 0 HG3 LYS A 527 -10.316 -3.343 2.968 1.00 1.04 H new ATOM 0 HD2 LYS A 527 -10.396 -2.673 5.301 1.00 1.12 H new ATOM 0 HD3 LYS A 527 -10.271 -1.233 4.309 1.00 1.12 H new ATOM 0 HE2 LYS A 527 -12.763 -0.955 4.459 1.00 1.24 H new ATOM 0 HE3 LYS A 527 -12.832 -2.346 5.521 1.00 1.24 H new ATOM 0 HZ1 LYS A 527 -12.813 -0.292 6.769 1.00 1.60 H new ATOM 0 HZ2 LYS A 527 -11.404 -1.181 7.095 1.00 1.60 H new ATOM 0 HZ3 LYS A 527 -11.338 0.167 6.066 1.00 1.60 H new ATOM 271 N GLN A 528 -9.937 -2.176 -0.215 1.00 0.59 N ATOM 272 CA GLN A 528 -8.881 -2.821 -0.985 1.00 0.55 C ATOM 273 C GLN A 528 -7.764 -1.829 -1.300 1.00 0.40 C ATOM 274 O GLN A 528 -6.585 -2.167 -1.222 1.00 0.37 O ATOM 275 CB GLN A 528 -9.439 -3.412 -2.284 1.00 0.75 C ATOM 276 CG GLN A 528 -10.482 -4.499 -2.071 1.00 1.38 C ATOM 277 CD GLN A 528 -9.961 -5.666 -1.254 1.00 1.87 C ATOM 278 OE1 GLN A 528 -8.767 -5.968 -1.265 1.00 2.56 O ATOM 279 NE2 GLN A 528 -10.854 -6.339 -0.547 1.00 2.33 N ATOM 0 H GLN A 528 -10.843 -2.152 -0.683 1.00 0.59 H new ATOM 0 HA GLN A 528 -8.471 -3.631 -0.382 1.00 0.55 H new ATOM 0 HB2 GLN A 528 -9.880 -2.610 -2.876 1.00 0.75 H new ATOM 0 HB3 GLN A 528 -8.615 -3.823 -2.868 1.00 0.75 H new ATOM 0 HG2 GLN A 528 -11.349 -4.070 -1.570 1.00 1.38 H new ATOM 0 HG3 GLN A 528 -10.822 -4.864 -3.040 1.00 1.38 H new ATOM 0 HE21 GLN A 528 -11.834 -6.058 -0.564 1.00 2.33 H new ATOM 0 HE22 GLN A 528 -10.562 -7.139 0.015 1.00 2.33 H new ATOM 288 N LEU A 529 -8.146 -0.604 -1.648 1.00 0.37 N ATOM 289 CA LEU A 529 -7.183 0.464 -1.898 1.00 0.33 C ATOM 290 C LEU A 529 -6.367 0.745 -0.645 1.00 0.22 C ATOM 291 O LEU A 529 -5.145 0.896 -0.702 1.00 0.26 O ATOM 292 CB LEU A 529 -7.911 1.736 -2.323 1.00 0.43 C ATOM 293 CG LEU A 529 -8.665 1.656 -3.649 1.00 0.58 C ATOM 294 CD1 LEU A 529 -9.486 2.917 -3.842 1.00 0.67 C ATOM 295 CD2 LEU A 529 -7.693 1.463 -4.803 1.00 0.69 C ATOM 0 H LEU A 529 -9.120 -0.325 -1.764 1.00 0.37 H new ATOM 0 HA LEU A 529 -6.513 0.145 -2.697 1.00 0.33 H new ATOM 0 HB2 LEU A 529 -8.619 2.007 -1.539 1.00 0.43 H new ATOM 0 HB3 LEU A 529 -7.183 2.545 -2.388 1.00 0.43 H new ATOM 0 HG LEU A 529 -9.336 0.797 -3.629 1.00 0.58 H new ATOM 0 HD11 LEU A 529 -10.024 2.860 -4.788 1.00 0.67 H new ATOM 0 HD12 LEU A 529 -10.200 3.015 -3.024 1.00 0.67 H new ATOM 0 HD13 LEU A 529 -8.825 3.784 -3.852 1.00 0.67 H new ATOM 0 HD21 LEU A 529 -8.247 1.408 -5.740 1.00 0.69 H new ATOM 0 HD22 LEU A 529 -7.000 2.304 -4.840 1.00 0.69 H new ATOM 0 HD23 LEU A 529 -7.134 0.539 -4.657 1.00 0.69 H new ATOM 307 N LYS A 530 -7.059 0.813 0.483 1.00 0.23 N ATOM 308 CA LYS A 530 -6.414 1.012 1.777 1.00 0.30 C ATOM 309 C LYS A 530 -5.395 -0.093 2.045 1.00 0.24 C ATOM 310 O LYS A 530 -4.249 0.182 2.404 1.00 0.29 O ATOM 311 CB LYS A 530 -7.464 1.029 2.892 1.00 0.47 C ATOM 312 CG LYS A 530 -6.883 1.279 4.274 1.00 1.14 C ATOM 313 CD LYS A 530 -7.933 1.103 5.355 1.00 1.72 C ATOM 314 CE LYS A 530 -7.379 1.421 6.734 1.00 2.36 C ATOM 315 NZ LYS A 530 -7.014 2.855 6.870 1.00 2.78 N ATOM 0 H LYS A 530 -8.075 0.733 0.530 1.00 0.23 H new ATOM 0 HA LYS A 530 -5.895 1.970 1.758 1.00 0.30 H new ATOM 0 HB2 LYS A 530 -8.202 1.801 2.673 1.00 0.47 H new ATOM 0 HB3 LYS A 530 -7.992 0.075 2.896 1.00 0.47 H new ATOM 0 HG2 LYS A 530 -6.056 0.592 4.453 1.00 1.14 H new ATOM 0 HG3 LYS A 530 -6.475 2.289 4.322 1.00 1.14 H new ATOM 0 HD2 LYS A 530 -8.783 1.752 5.146 1.00 1.72 H new ATOM 0 HD3 LYS A 530 -8.303 0.078 5.339 1.00 1.72 H new ATOM 0 HE2 LYS A 530 -8.119 1.162 7.491 1.00 2.36 H new ATOM 0 HE3 LYS A 530 -6.501 0.804 6.923 1.00 2.36 H new ATOM 0 HZ1 LYS A 530 -6.852 3.078 7.873 1.00 2.78 H new ATOM 0 HZ2 LYS A 530 -6.147 3.045 6.328 1.00 2.78 H new ATOM 0 HZ3 LYS A 530 -7.788 3.446 6.505 1.00 2.78 H new ATOM 329 N GLU A 531 -5.812 -1.340 1.845 1.00 0.21 N ATOM 330 CA GLU A 531 -4.932 -2.483 2.060 1.00 0.26 C ATOM 331 C GLU A 531 -3.761 -2.467 1.083 1.00 0.23 C ATOM 332 O GLU A 531 -2.624 -2.754 1.457 1.00 0.26 O ATOM 333 CB GLU A 531 -5.709 -3.792 1.930 1.00 0.37 C ATOM 334 CG GLU A 531 -6.767 -3.975 3.003 1.00 0.50 C ATOM 335 CD GLU A 531 -7.416 -5.342 2.959 1.00 0.68 C ATOM 336 OE1 GLU A 531 -6.740 -6.342 3.274 1.00 1.00 O ATOM 337 OE2 GLU A 531 -8.608 -5.422 2.594 1.00 0.98 O ATOM 0 H GLU A 531 -6.753 -1.584 1.535 1.00 0.21 H new ATOM 0 HA GLU A 531 -4.533 -2.410 3.072 1.00 0.26 H new ATOM 0 HB2 GLU A 531 -6.186 -3.827 0.950 1.00 0.37 H new ATOM 0 HB3 GLU A 531 -5.010 -4.627 1.974 1.00 0.37 H new ATOM 0 HG2 GLU A 531 -6.314 -3.824 3.983 1.00 0.50 H new ATOM 0 HG3 GLU A 531 -7.534 -3.210 2.885 1.00 0.50 H new ATOM 344 N GLN A 532 -4.046 -2.113 -0.164 1.00 0.23 N ATOM 345 CA GLN A 532 -3.014 -2.014 -1.188 1.00 0.32 C ATOM 346 C GLN A 532 -1.986 -0.955 -0.804 1.00 0.33 C ATOM 347 O GLN A 532 -0.786 -1.140 -0.994 1.00 0.41 O ATOM 348 CB GLN A 532 -3.635 -1.660 -2.540 1.00 0.40 C ATOM 349 CG GLN A 532 -2.623 -1.574 -3.670 1.00 0.97 C ATOM 350 CD GLN A 532 -3.185 -0.906 -4.909 1.00 1.51 C ATOM 351 OE1 GLN A 532 -4.042 -0.028 -4.822 1.00 2.20 O ATOM 352 NE2 GLN A 532 -2.707 -1.315 -6.071 1.00 2.06 N ATOM 0 H GLN A 532 -4.986 -1.889 -0.491 1.00 0.23 H new ATOM 0 HA GLN A 532 -2.518 -2.981 -1.267 1.00 0.32 H new ATOM 0 HB2 GLN A 532 -4.386 -2.408 -2.792 1.00 0.40 H new ATOM 0 HB3 GLN A 532 -4.153 -0.705 -2.454 1.00 0.40 H new ATOM 0 HG2 GLN A 532 -1.749 -1.020 -3.328 1.00 0.97 H new ATOM 0 HG3 GLN A 532 -2.284 -2.578 -3.926 1.00 0.97 H new ATOM 0 HE21 GLN A 532 -1.996 -2.046 -6.101 1.00 2.06 H new ATOM 0 HE22 GLN A 532 -3.049 -0.900 -6.938 1.00 2.06 H new ATOM 361 N THR A 533 -2.469 0.148 -0.246 1.00 0.29 N ATOM 362 CA THR A 533 -1.611 1.256 0.135 1.00 0.36 C ATOM 363 C THR A 533 -0.725 0.898 1.331 1.00 0.35 C ATOM 364 O THR A 533 0.473 1.175 1.319 1.00 0.41 O ATOM 365 CB THR A 533 -2.436 2.515 0.465 1.00 0.41 C ATOM 366 OG1 THR A 533 -3.303 2.832 -0.633 1.00 0.45 O ATOM 367 CG2 THR A 533 -1.528 3.704 0.742 1.00 0.53 C ATOM 0 H THR A 533 -3.458 0.297 -0.047 1.00 0.29 H new ATOM 0 HA THR A 533 -0.971 1.466 -0.722 1.00 0.36 H new ATOM 0 HB THR A 533 -3.027 2.308 1.357 1.00 0.41 H new ATOM 0 HG1 THR A 533 -4.095 2.256 -0.601 1.00 0.45 H new ATOM 0 HG21 THR A 533 -2.135 4.580 0.972 1.00 0.53 H new ATOM 0 HG22 THR A 533 -0.881 3.478 1.590 1.00 0.53 H new ATOM 0 HG23 THR A 533 -0.917 3.907 -0.137 1.00 0.53 H new ATOM 375 N VAL A 534 -1.302 0.266 2.355 1.00 0.29 N ATOM 376 CA VAL A 534 -0.542 -0.053 3.565 1.00 0.32 C ATOM 377 C VAL A 534 0.589 -1.040 3.276 1.00 0.32 C ATOM 378 O VAL A 534 1.698 -0.897 3.796 1.00 0.35 O ATOM 379 CB VAL A 534 -1.433 -0.589 4.712 1.00 0.32 C ATOM 380 CG1 VAL A 534 -2.420 0.476 5.157 1.00 0.36 C ATOM 381 CG2 VAL A 534 -2.171 -1.853 4.306 1.00 0.28 C ATOM 0 H VAL A 534 -2.278 -0.031 2.372 1.00 0.29 H new ATOM 0 HA VAL A 534 -0.110 0.890 3.900 1.00 0.32 H new ATOM 0 HB VAL A 534 -0.779 -0.840 5.547 1.00 0.32 H new ATOM 0 HG11 VAL A 534 -3.039 0.084 5.964 1.00 0.36 H new ATOM 0 HG12 VAL A 534 -1.876 1.352 5.510 1.00 0.36 H new ATOM 0 HG13 VAL A 534 -3.055 0.758 4.317 1.00 0.36 H new ATOM 0 HG21 VAL A 534 -2.786 -2.198 5.137 1.00 0.28 H new ATOM 0 HG22 VAL A 534 -2.808 -1.642 3.447 1.00 0.28 H new ATOM 0 HG23 VAL A 534 -1.450 -2.627 4.042 1.00 0.28 H new ATOM 391 N GLU A 535 0.330 -2.035 2.435 1.00 0.29 N ATOM 392 CA GLU A 535 1.375 -2.963 2.042 1.00 0.32 C ATOM 393 C GLU A 535 2.354 -2.287 1.084 1.00 0.36 C ATOM 394 O GLU A 535 3.546 -2.573 1.106 1.00 0.39 O ATOM 395 CB GLU A 535 0.790 -4.222 1.408 1.00 0.34 C ATOM 396 CG GLU A 535 -0.089 -3.954 0.205 1.00 0.36 C ATOM 397 CD GLU A 535 -0.368 -5.205 -0.591 1.00 0.54 C ATOM 398 OE1 GLU A 535 -1.240 -5.997 -0.188 1.00 0.81 O ATOM 399 OE2 GLU A 535 0.300 -5.412 -1.626 1.00 0.69 O ATOM 0 H GLU A 535 -0.583 -2.216 2.019 1.00 0.29 H new ATOM 0 HA GLU A 535 1.913 -3.262 2.941 1.00 0.32 H new ATOM 0 HB2 GLU A 535 1.607 -4.879 1.109 1.00 0.34 H new ATOM 0 HB3 GLU A 535 0.208 -4.758 2.158 1.00 0.34 H new ATOM 0 HG2 GLU A 535 -1.032 -3.519 0.537 1.00 0.36 H new ATOM 0 HG3 GLU A 535 0.393 -3.217 -0.438 1.00 0.36 H new ATOM 406 N ARG A 536 1.848 -1.369 0.264 1.00 0.38 N ATOM 407 CA ARG A 536 2.685 -0.655 -0.692 1.00 0.44 C ATOM 408 C ARG A 536 3.667 0.268 0.023 1.00 0.46 C ATOM 409 O ARG A 536 4.846 0.283 -0.308 1.00 0.49 O ATOM 410 CB ARG A 536 1.827 0.123 -1.691 1.00 0.49 C ATOM 411 CG ARG A 536 2.635 0.928 -2.697 1.00 0.59 C ATOM 412 CD ARG A 536 2.583 2.409 -2.382 1.00 0.65 C ATOM 413 NE ARG A 536 1.264 2.976 -2.667 1.00 0.70 N ATOM 414 CZ ARG A 536 0.840 4.163 -2.233 1.00 0.93 C ATOM 415 NH1 ARG A 536 1.624 4.918 -1.467 1.00 1.38 N ATOM 416 NH2 ARG A 536 -0.372 4.591 -2.572 1.00 0.94 N ATOM 0 H ARG A 536 0.863 -1.103 0.244 1.00 0.38 H new ATOM 0 HA ARG A 536 3.265 -1.391 -1.248 1.00 0.44 H new ATOM 0 HB2 ARG A 536 1.188 -0.577 -2.229 1.00 0.49 H new ATOM 0 HB3 ARG A 536 1.170 0.798 -1.143 1.00 0.49 H new ATOM 0 HG2 ARG A 536 3.671 0.588 -2.691 1.00 0.59 H new ATOM 0 HG3 ARG A 536 2.248 0.753 -3.701 1.00 0.59 H new ATOM 0 HD2 ARG A 536 2.828 2.567 -1.332 1.00 0.65 H new ATOM 0 HD3 ARG A 536 3.339 2.933 -2.968 1.00 0.65 H new ATOM 0 HE ARG A 536 0.624 2.424 -3.238 1.00 0.70 H new ATOM 0 HH11 ARG A 536 2.555 4.589 -1.209 1.00 1.38 H new ATOM 0 HH12 ARG A 536 1.294 5.825 -1.138 1.00 1.38 H new ATOM 0 HH21 ARG A 536 -0.971 4.012 -3.161 1.00 0.94 H new ATOM 0 HH22 ARG A 536 -0.703 5.498 -2.243 1.00 0.94 H new ATOM 430 N VAL A 537 3.194 1.029 1.010 1.00 0.45 N ATOM 431 CA VAL A 537 4.079 1.902 1.784 1.00 0.49 C ATOM 432 C VAL A 537 5.120 1.068 2.521 1.00 0.45 C ATOM 433 O VAL A 537 6.288 1.438 2.603 1.00 0.48 O ATOM 434 CB VAL A 537 3.317 2.802 2.790 1.00 0.51 C ATOM 435 CG1 VAL A 537 2.328 3.683 2.055 1.00 0.55 C ATOM 436 CG2 VAL A 537 2.603 1.980 3.850 1.00 0.47 C ATOM 0 H VAL A 537 2.214 1.060 1.291 1.00 0.45 H new ATOM 0 HA VAL A 537 4.566 2.567 1.071 1.00 0.49 H new ATOM 0 HB VAL A 537 4.050 3.429 3.297 1.00 0.51 H new ATOM 0 HG11 VAL A 537 1.798 4.311 2.771 1.00 0.55 H new ATOM 0 HG12 VAL A 537 2.861 4.314 1.344 1.00 0.55 H new ATOM 0 HG13 VAL A 537 1.612 3.059 1.520 1.00 0.55 H new ATOM 0 HG21 VAL A 537 2.081 2.646 4.536 1.00 0.47 H new ATOM 0 HG22 VAL A 537 1.884 1.315 3.372 1.00 0.47 H new ATOM 0 HG23 VAL A 537 3.332 1.388 4.403 1.00 0.47 H new ATOM 446 N THR A 538 4.682 -0.068 3.044 1.00 0.40 N ATOM 447 CA THR A 538 5.570 -1.011 3.694 1.00 0.38 C ATOM 448 C THR A 538 6.585 -1.573 2.689 1.00 0.36 C ATOM 449 O THR A 538 7.764 -1.749 3.004 1.00 0.34 O ATOM 450 CB THR A 538 4.751 -2.149 4.322 1.00 0.35 C ATOM 451 OG1 THR A 538 3.831 -1.607 5.276 1.00 0.36 O ATOM 452 CG2 THR A 538 5.649 -3.177 4.988 1.00 0.36 C ATOM 0 H THR A 538 3.704 -0.358 3.028 1.00 0.40 H new ATOM 0 HA THR A 538 6.119 -0.494 4.481 1.00 0.38 H new ATOM 0 HB THR A 538 4.201 -2.654 3.528 1.00 0.35 H new ATOM 0 HG1 THR A 538 3.080 -1.189 4.805 1.00 0.36 H new ATOM 0 HG21 THR A 538 5.037 -3.968 5.422 1.00 0.36 H new ATOM 0 HG22 THR A 538 6.324 -3.605 4.247 1.00 0.36 H new ATOM 0 HG23 THR A 538 6.232 -2.696 5.774 1.00 0.36 H new ATOM 460 N LEU A 539 6.119 -1.819 1.471 1.00 0.37 N ATOM 461 CA LEU A 539 6.965 -2.290 0.392 1.00 0.37 C ATOM 462 C LEU A 539 7.965 -1.202 0.006 1.00 0.38 C ATOM 463 O LEU A 539 9.135 -1.484 -0.222 1.00 0.35 O ATOM 464 CB LEU A 539 6.064 -2.712 -0.787 1.00 0.42 C ATOM 465 CG LEU A 539 6.738 -3.056 -2.124 1.00 0.47 C ATOM 466 CD1 LEU A 539 7.091 -1.788 -2.883 1.00 0.52 C ATOM 467 CD2 LEU A 539 7.969 -3.931 -1.915 1.00 0.44 C ATOM 0 H LEU A 539 5.141 -1.696 1.207 1.00 0.37 H new ATOM 0 HA LEU A 539 7.548 -3.158 0.702 1.00 0.37 H new ATOM 0 HB2 LEU A 539 5.486 -3.581 -0.471 1.00 0.42 H new ATOM 0 HB3 LEU A 539 5.353 -1.906 -0.969 1.00 0.42 H new ATOM 0 HG LEU A 539 6.029 -3.628 -2.723 1.00 0.47 H new ATOM 0 HD11 LEU A 539 7.568 -2.050 -3.828 1.00 0.52 H new ATOM 0 HD12 LEU A 539 6.183 -1.218 -3.080 1.00 0.52 H new ATOM 0 HD13 LEU A 539 7.776 -1.185 -2.286 1.00 0.52 H new ATOM 0 HD21 LEU A 539 8.423 -4.157 -2.880 1.00 0.44 H new ATOM 0 HD22 LEU A 539 8.689 -3.403 -1.290 1.00 0.44 H new ATOM 0 HD23 LEU A 539 7.676 -4.860 -1.426 1.00 0.44 H new ATOM 479 N GLN A 540 7.494 0.040 -0.065 1.00 0.43 N ATOM 480 CA GLN A 540 8.365 1.182 -0.344 1.00 0.45 C ATOM 481 C GLN A 540 9.416 1.338 0.747 1.00 0.35 C ATOM 482 O GLN A 540 10.542 1.749 0.482 1.00 0.30 O ATOM 483 CB GLN A 540 7.551 2.467 -0.465 1.00 0.58 C ATOM 484 CG GLN A 540 6.554 2.451 -1.608 1.00 0.69 C ATOM 485 CD GLN A 540 7.210 2.421 -2.977 1.00 0.73 C ATOM 486 OE1 GLN A 540 6.658 1.867 -3.927 1.00 1.05 O ATOM 487 NE2 GLN A 540 8.384 3.018 -3.093 1.00 1.55 N ATOM 0 H GLN A 540 6.512 0.283 0.067 1.00 0.43 H new ATOM 0 HA GLN A 540 8.868 0.994 -1.293 1.00 0.45 H new ATOM 0 HB2 GLN A 540 7.016 2.638 0.470 1.00 0.58 H new ATOM 0 HB3 GLN A 540 8.232 3.307 -0.600 1.00 0.58 H new ATOM 0 HG2 GLN A 540 5.906 1.580 -1.504 1.00 0.69 H new ATOM 0 HG3 GLN A 540 5.917 3.332 -1.537 1.00 0.69 H new ATOM 0 HE21 GLN A 540 8.810 3.467 -2.282 1.00 1.55 H new ATOM 0 HE22 GLN A 540 8.863 3.030 -3.993 1.00 1.55 H new ATOM 496 N ASN A 541 9.034 1.012 1.975 1.00 0.37 N ATOM 497 CA ASN A 541 9.959 1.019 3.105 1.00 0.34 C ATOM 498 C ASN A 541 11.036 -0.043 2.893 1.00 0.25 C ATOM 499 O ASN A 541 12.221 0.194 3.134 1.00 0.25 O ATOM 500 CB ASN A 541 9.185 0.758 4.404 1.00 0.42 C ATOM 501 CG ASN A 541 9.961 1.107 5.665 1.00 0.49 C ATOM 502 OD1 ASN A 541 11.184 0.985 5.726 1.00 1.08 O ATOM 503 ND2 ASN A 541 9.244 1.547 6.687 1.00 1.21 N ATOM 0 H ASN A 541 8.082 0.737 2.217 1.00 0.37 H new ATOM 0 HA ASN A 541 10.443 1.993 3.179 1.00 0.34 H new ATOM 0 HB2 ASN A 541 8.261 1.335 4.387 1.00 0.42 H new ATOM 0 HB3 ASN A 541 8.903 -0.294 4.442 1.00 0.42 H new ATOM 0 HD21 ASN A 541 9.704 1.798 7.562 1.00 1.21 H new ATOM 0 HD22 ASN A 541 8.232 1.635 6.599 1.00 1.21 H new ATOM 510 N GLN A 542 10.618 -1.210 2.416 1.00 0.22 N ATOM 511 CA GLN A 542 11.552 -2.273 2.070 1.00 0.21 C ATOM 512 C GLN A 542 12.401 -1.858 0.872 1.00 0.18 C ATOM 513 O GLN A 542 13.595 -2.132 0.821 1.00 0.24 O ATOM 514 CB GLN A 542 10.803 -3.569 1.752 1.00 0.27 C ATOM 515 CG GLN A 542 9.965 -4.092 2.906 1.00 0.33 C ATOM 516 CD GLN A 542 9.294 -5.415 2.593 1.00 1.18 C ATOM 517 OE1 GLN A 542 9.077 -6.241 3.482 1.00 1.94 O ATOM 518 NE2 GLN A 542 8.958 -5.626 1.331 1.00 1.98 N ATOM 0 H GLN A 542 9.637 -1.443 2.260 1.00 0.22 H new ATOM 0 HA GLN A 542 12.203 -2.448 2.926 1.00 0.21 H new ATOM 0 HB2 GLN A 542 10.155 -3.401 0.892 1.00 0.27 H new ATOM 0 HB3 GLN A 542 11.525 -4.333 1.464 1.00 0.27 H new ATOM 0 HG2 GLN A 542 10.599 -4.210 3.785 1.00 0.33 H new ATOM 0 HG3 GLN A 542 9.203 -3.355 3.159 1.00 0.33 H new ATOM 0 HE21 GLN A 542 9.155 -4.916 0.625 1.00 1.98 H new ATOM 0 HE22 GLN A 542 8.502 -6.498 1.064 1.00 1.98 H new ATOM 527 N LEU A 543 11.772 -1.178 -0.079 1.00 0.19 N ATOM 528 CA LEU A 543 12.457 -0.688 -1.266 1.00 0.23 C ATOM 529 C LEU A 543 13.457 0.399 -0.882 1.00 0.16 C ATOM 530 O LEU A 543 14.505 0.542 -1.506 1.00 0.24 O ATOM 531 CB LEU A 543 11.436 -0.167 -2.287 1.00 0.34 C ATOM 532 CG LEU A 543 11.979 0.101 -3.696 1.00 0.46 C ATOM 533 CD1 LEU A 543 10.875 -0.075 -4.725 1.00 0.61 C ATOM 534 CD2 LEU A 543 12.564 1.503 -3.801 1.00 0.43 C ATOM 0 H LEU A 543 10.778 -0.952 -0.049 1.00 0.19 H new ATOM 0 HA LEU A 543 13.008 -1.508 -1.727 1.00 0.23 H new ATOM 0 HB2 LEU A 543 10.624 -0.890 -2.362 1.00 0.34 H new ATOM 0 HB3 LEU A 543 11.005 0.757 -1.902 1.00 0.34 H new ATOM 0 HG LEU A 543 12.774 -0.618 -3.893 1.00 0.46 H new ATOM 0 HD11 LEU A 543 11.272 0.118 -5.722 1.00 0.61 H new ATOM 0 HD12 LEU A 543 10.493 -1.095 -4.678 1.00 0.61 H new ATOM 0 HD13 LEU A 543 10.067 0.625 -4.515 1.00 0.61 H new ATOM 0 HD21 LEU A 543 12.941 1.665 -4.811 1.00 0.43 H new ATOM 0 HD22 LEU A 543 11.790 2.238 -3.581 1.00 0.43 H new ATOM 0 HD23 LEU A 543 13.380 1.611 -3.087 1.00 0.43 H new ATOM 546 N GLN A 544 13.126 1.160 0.154 1.00 0.11 N ATOM 547 CA GLN A 544 14.034 2.148 0.701 1.00 0.20 C ATOM 548 C GLN A 544 15.295 1.456 1.203 1.00 0.29 C ATOM 549 O GLN A 544 16.409 1.899 0.929 1.00 0.37 O ATOM 550 CB GLN A 544 13.345 2.923 1.827 1.00 0.32 C ATOM 551 CG GLN A 544 14.275 3.835 2.601 1.00 0.49 C ATOM 552 CD GLN A 544 13.548 4.674 3.630 1.00 0.78 C ATOM 553 OE1 GLN A 544 13.100 5.784 3.337 1.00 1.34 O ATOM 554 NE2 GLN A 544 13.420 4.152 4.838 1.00 1.64 N ATOM 0 H GLN A 544 12.227 1.107 0.632 1.00 0.11 H new ATOM 0 HA GLN A 544 14.315 2.859 -0.076 1.00 0.20 H new ATOM 0 HB2 GLN A 544 12.537 3.519 1.403 1.00 0.32 H new ATOM 0 HB3 GLN A 544 12.889 2.213 2.518 1.00 0.32 H new ATOM 0 HG2 GLN A 544 15.035 3.233 3.100 1.00 0.49 H new ATOM 0 HG3 GLN A 544 14.795 4.492 1.904 1.00 0.49 H new ATOM 0 HE21 GLN A 544 13.806 3.229 5.038 1.00 1.64 H new ATOM 0 HE22 GLN A 544 12.935 4.672 5.569 1.00 1.64 H new ATOM 563 N GLN A 545 15.110 0.348 1.910 1.00 0.33 N ATOM 564 CA GLN A 545 16.227 -0.474 2.355 1.00 0.47 C ATOM 565 C GLN A 545 16.950 -1.078 1.153 1.00 0.50 C ATOM 566 O GLN A 545 18.167 -1.248 1.162 1.00 0.63 O ATOM 567 CB GLN A 545 15.735 -1.590 3.277 1.00 0.53 C ATOM 568 CG GLN A 545 15.105 -1.092 4.566 1.00 1.16 C ATOM 569 CD GLN A 545 14.477 -2.215 5.368 1.00 1.53 C ATOM 570 OE1 GLN A 545 15.135 -2.856 6.186 1.00 1.91 O ATOM 571 NE2 GLN A 545 13.193 -2.452 5.147 1.00 2.20 N ATOM 0 H GLN A 545 14.193 -0.002 2.188 1.00 0.33 H new ATOM 0 HA GLN A 545 16.921 0.159 2.907 1.00 0.47 H new ATOM 0 HB2 GLN A 545 15.007 -2.197 2.739 1.00 0.53 H new ATOM 0 HB3 GLN A 545 16.574 -2.241 3.522 1.00 0.53 H new ATOM 0 HG2 GLN A 545 15.864 -0.596 5.171 1.00 1.16 H new ATOM 0 HG3 GLN A 545 14.346 -0.346 4.333 1.00 1.16 H new ATOM 0 HE21 GLN A 545 12.683 -1.897 4.460 1.00 2.20 H new ATOM 0 HE22 GLN A 545 12.714 -3.189 5.664 1.00 2.20 H new ATOM 580 N PHE A 546 16.176 -1.389 0.122 1.00 0.42 N ATOM 581 CA PHE A 546 16.694 -1.972 -1.107 1.00 0.53 C ATOM 582 C PHE A 546 17.596 -0.984 -1.855 1.00 0.61 C ATOM 583 O PHE A 546 18.709 -1.332 -2.253 1.00 0.77 O ATOM 584 CB PHE A 546 15.511 -2.437 -1.971 1.00 0.54 C ATOM 585 CG PHE A 546 15.757 -2.428 -3.449 1.00 0.68 C ATOM 586 CD1 PHE A 546 16.495 -3.428 -4.060 1.00 1.26 C ATOM 587 CD2 PHE A 546 15.225 -1.419 -4.229 1.00 0.93 C ATOM 588 CE1 PHE A 546 16.696 -3.415 -5.426 1.00 1.38 C ATOM 589 CE2 PHE A 546 15.424 -1.397 -5.590 1.00 1.03 C ATOM 590 CZ PHE A 546 16.161 -2.398 -6.193 1.00 0.99 C ATOM 0 H PHE A 546 15.167 -1.243 0.115 1.00 0.42 H new ATOM 0 HA PHE A 546 17.317 -2.834 -0.868 1.00 0.53 H new ATOM 0 HB2 PHE A 546 15.238 -3.449 -1.671 1.00 0.54 H new ATOM 0 HB3 PHE A 546 14.653 -1.799 -1.758 1.00 0.54 H new ATOM 0 HD1 PHE A 546 16.916 -4.224 -3.464 1.00 1.26 H new ATOM 0 HD2 PHE A 546 14.645 -0.636 -3.763 1.00 0.93 H new ATOM 0 HE1 PHE A 546 17.271 -4.200 -5.895 1.00 1.38 H new ATOM 0 HE2 PHE A 546 15.005 -0.599 -6.186 1.00 1.03 H new ATOM 0 HZ PHE A 546 16.319 -2.386 -7.261 1.00 0.99 H new ATOM 600 N LEU A 547 17.123 0.243 -2.048 1.00 0.53 N ATOM 601 CA LEU A 547 17.919 1.265 -2.706 1.00 0.64 C ATOM 602 C LEU A 547 19.157 1.599 -1.874 1.00 0.74 C ATOM 603 O LEU A 547 20.244 1.784 -2.417 1.00 0.89 O ATOM 604 CB LEU A 547 17.068 2.515 -3.000 1.00 0.59 C ATOM 605 CG LEU A 547 16.638 3.366 -1.800 1.00 0.50 C ATOM 606 CD1 LEU A 547 17.673 4.440 -1.497 1.00 0.66 C ATOM 607 CD2 LEU A 547 15.279 3.999 -2.059 1.00 0.46 C ATOM 0 H LEU A 547 16.195 0.550 -1.758 1.00 0.53 H new ATOM 0 HA LEU A 547 18.264 0.877 -3.664 1.00 0.64 H new ATOM 0 HB2 LEU A 547 17.629 3.153 -3.683 1.00 0.59 H new ATOM 0 HB3 LEU A 547 16.169 2.196 -3.527 1.00 0.59 H new ATOM 0 HG LEU A 547 16.560 2.713 -0.931 1.00 0.50 H new ATOM 0 HD11 LEU A 547 17.345 5.030 -0.642 1.00 0.66 H new ATOM 0 HD12 LEU A 547 18.629 3.970 -1.268 1.00 0.66 H new ATOM 0 HD13 LEU A 547 17.787 5.090 -2.364 1.00 0.66 H new ATOM 0 HD21 LEU A 547 14.988 4.600 -1.198 1.00 0.46 H new ATOM 0 HD22 LEU A 547 15.336 4.635 -2.943 1.00 0.46 H new ATOM 0 HD23 LEU A 547 14.538 3.216 -2.223 1.00 0.46 H new ATOM 619 N GLU A 548 18.984 1.654 -0.558 1.00 0.69 N ATOM 620 CA GLU A 548 20.097 1.874 0.364 1.00 0.85 C ATOM 621 C GLU A 548 21.117 0.746 0.266 1.00 0.97 C ATOM 622 O GLU A 548 22.326 0.968 0.394 1.00 1.12 O ATOM 623 CB GLU A 548 19.595 2.009 1.803 1.00 0.87 C ATOM 624 CG GLU A 548 18.935 3.347 2.089 1.00 0.88 C ATOM 625 CD GLU A 548 19.894 4.510 1.937 1.00 1.55 C ATOM 626 OE1 GLU A 548 20.676 4.764 2.879 1.00 1.98 O ATOM 627 OE2 GLU A 548 19.869 5.178 0.883 1.00 2.23 O ATOM 0 H GLU A 548 18.078 1.549 -0.101 1.00 0.69 H new ATOM 0 HA GLU A 548 20.585 2.806 0.079 1.00 0.85 H new ATOM 0 HB2 GLU A 548 18.883 1.210 2.008 1.00 0.87 H new ATOM 0 HB3 GLU A 548 20.433 1.872 2.487 1.00 0.87 H new ATOM 0 HG2 GLU A 548 18.092 3.485 1.412 1.00 0.88 H new ATOM 0 HG3 GLU A 548 18.533 3.341 3.102 1.00 0.88 H new ATOM 634 N ALA A 549 20.629 -0.469 0.051 1.00 0.93 N ATOM 635 CA ALA A 549 21.504 -1.603 -0.180 1.00 1.09 C ATOM 636 C ALA A 549 22.321 -1.381 -1.445 1.00 1.20 C ATOM 637 O ALA A 549 23.536 -1.554 -1.435 1.00 1.35 O ATOM 638 CB ALA A 549 20.707 -2.895 -0.277 1.00 1.06 C ATOM 0 H ALA A 549 19.634 -0.691 0.032 1.00 0.93 H new ATOM 0 HA ALA A 549 22.184 -1.693 0.667 1.00 1.09 H new ATOM 0 HB1 ALA A 549 21.386 -3.730 -0.450 1.00 1.06 H new ATOM 0 HB2 ALA A 549 20.163 -3.057 0.653 1.00 1.06 H new ATOM 0 HB3 ALA A 549 20.000 -2.825 -1.104 1.00 1.06 H new ATOM 644 N GLN A 550 21.647 -0.965 -2.521 1.00 1.15 N ATOM 645 CA GLN A 550 22.317 -0.669 -3.790 1.00 1.31 C ATOM 646 C GLN A 550 23.385 0.398 -3.591 1.00 1.43 C ATOM 647 O GLN A 550 24.460 0.332 -4.190 1.00 1.65 O ATOM 648 CB GLN A 550 21.318 -0.184 -4.841 1.00 1.26 C ATOM 649 CG GLN A 550 20.177 -1.145 -5.100 1.00 1.20 C ATOM 650 CD GLN A 550 19.263 -0.655 -6.199 1.00 1.71 C ATOM 651 OE1 GLN A 550 19.452 -0.977 -7.372 1.00 2.38 O ATOM 652 NE2 GLN A 550 18.275 0.138 -5.828 1.00 2.29 N ATOM 0 H GLN A 550 20.637 -0.826 -2.538 1.00 1.15 H new ATOM 0 HA GLN A 550 22.780 -1.592 -4.140 1.00 1.31 H new ATOM 0 HB2 GLN A 550 20.907 0.773 -4.521 1.00 1.26 H new ATOM 0 HB3 GLN A 550 21.849 -0.007 -5.776 1.00 1.26 H new ATOM 0 HG2 GLN A 550 20.579 -2.121 -5.371 1.00 1.20 H new ATOM 0 HG3 GLN A 550 19.602 -1.281 -4.184 1.00 1.20 H new ATOM 0 HE21 GLN A 550 18.156 0.379 -4.844 1.00 2.29 H new ATOM 0 HE22 GLN A 550 17.630 0.510 -6.525 1.00 2.29 H new ATOM 661 N LYS A 551 23.071 1.389 -2.758 1.00 1.33 N ATOM 662 CA LYS A 551 24.050 2.397 -2.368 1.00 1.50 C ATOM 663 C LYS A 551 25.262 1.712 -1.776 1.00 1.72 C ATOM 664 O LYS A 551 26.350 1.792 -2.325 1.00 2.01 O ATOM 665 CB LYS A 551 23.469 3.360 -1.329 1.00 1.43 C ATOM 666 CG LYS A 551 22.222 4.103 -1.780 1.00 1.36 C ATOM 667 CD LYS A 551 22.522 5.102 -2.882 1.00 1.66 C ATOM 668 CE LYS A 551 21.282 5.901 -3.244 1.00 1.93 C ATOM 669 NZ LYS A 551 21.554 6.909 -4.299 1.00 2.36 N ATOM 0 H LYS A 551 22.148 1.514 -2.342 1.00 1.33 H new ATOM 0 HA LYS A 551 24.326 2.967 -3.255 1.00 1.50 H new ATOM 0 HB2 LYS A 551 23.234 2.799 -0.425 1.00 1.43 H new ATOM 0 HB3 LYS A 551 24.234 4.089 -1.062 1.00 1.43 H new ATOM 0 HG2 LYS A 551 21.481 3.386 -2.133 1.00 1.36 H new ATOM 0 HG3 LYS A 551 21.782 4.623 -0.929 1.00 1.36 H new ATOM 0 HD2 LYS A 551 23.313 5.778 -2.559 1.00 1.66 H new ATOM 0 HD3 LYS A 551 22.891 4.577 -3.763 1.00 1.66 H new ATOM 0 HE2 LYS A 551 20.501 5.222 -3.585 1.00 1.93 H new ATOM 0 HE3 LYS A 551 20.902 6.402 -2.354 1.00 1.93 H new ATOM 0 HZ1 LYS A 551 20.680 7.431 -4.514 1.00 2.36 H new ATOM 0 HZ2 LYS A 551 22.281 7.574 -3.965 1.00 2.36 H new ATOM 0 HZ3 LYS A 551 21.892 6.430 -5.158 1.00 2.36 H new ATOM 683 N SER A 552 25.040 1.010 -0.672 1.00 1.61 N ATOM 684 CA SER A 552 26.092 0.294 0.037 1.00 1.82 C ATOM 685 C SER A 552 26.925 -0.585 -0.897 1.00 1.95 C ATOM 686 O SER A 552 28.138 -0.689 -0.728 1.00 2.23 O ATOM 687 CB SER A 552 25.472 -0.555 1.145 1.00 1.69 C ATOM 688 OG SER A 552 24.650 0.241 1.983 1.00 1.76 O ATOM 0 H SER A 552 24.120 0.921 -0.241 1.00 1.61 H new ATOM 0 HA SER A 552 26.767 1.034 0.467 1.00 1.82 H new ATOM 0 HB2 SER A 552 24.882 -1.360 0.707 1.00 1.69 H new ATOM 0 HB3 SER A 552 26.259 -1.022 1.736 1.00 1.69 H new ATOM 0 HG SER A 552 23.782 0.382 1.551 1.00 1.76 H new ATOM 694 N GLU A 553 26.273 -1.201 -1.878 1.00 1.81 N ATOM 695 CA GLU A 553 26.959 -2.051 -2.846 1.00 2.00 C ATOM 696 C GLU A 553 27.964 -1.245 -3.672 1.00 2.25 C ATOM 697 O GLU A 553 29.179 -1.434 -3.557 1.00 2.55 O ATOM 698 CB GLU A 553 25.948 -2.722 -3.774 1.00 1.88 C ATOM 699 CG GLU A 553 24.955 -3.611 -3.047 1.00 1.75 C ATOM 700 CD GLU A 553 25.605 -4.800 -2.380 1.00 1.97 C ATOM 701 OE1 GLU A 553 25.729 -5.858 -3.028 1.00 1.91 O ATOM 702 OE2 GLU A 553 25.990 -4.690 -1.199 1.00 2.46 O ATOM 0 H GLU A 553 25.266 -1.127 -2.024 1.00 1.81 H new ATOM 0 HA GLU A 553 27.502 -2.817 -2.293 1.00 2.00 H new ATOM 0 HB2 GLU A 553 25.402 -1.953 -4.321 1.00 1.88 H new ATOM 0 HB3 GLU A 553 26.484 -3.318 -4.512 1.00 1.88 H new ATOM 0 HG2 GLU A 553 24.431 -3.021 -2.295 1.00 1.75 H new ATOM 0 HG3 GLU A 553 24.205 -3.964 -3.755 1.00 1.75 H new ATOM 709 N GLY A 554 27.443 -0.327 -4.482 1.00 2.16 N ATOM 710 CA GLY A 554 28.285 0.466 -5.364 1.00 2.43 C ATOM 711 C GLY A 554 29.214 1.393 -4.606 1.00 2.68 C ATOM 712 O GLY A 554 30.302 1.719 -5.081 1.00 2.98 O ATOM 0 H GLY A 554 26.447 -0.117 -4.544 1.00 2.16 H new ATOM 0 HA2 GLY A 554 28.876 -0.201 -5.992 1.00 2.43 H new ATOM 0 HA3 GLY A 554 27.654 1.055 -6.030 1.00 2.43 H new ATOM 716 N LYS A 555 28.774 1.829 -3.437 1.00 2.59 N ATOM 717 CA LYS A 555 29.572 2.678 -2.566 1.00 2.88 C ATOM 718 C LYS A 555 30.794 1.931 -2.031 1.00 3.09 C ATOM 719 O LYS A 555 31.870 2.510 -1.873 1.00 3.44 O ATOM 720 CB LYS A 555 28.693 3.165 -1.414 1.00 2.82 C ATOM 721 CG LYS A 555 29.424 3.882 -0.300 1.00 2.71 C ATOM 722 CD LYS A 555 28.453 4.302 0.793 1.00 2.71 C ATOM 723 CE LYS A 555 27.469 5.354 0.303 1.00 2.99 C ATOM 724 NZ LYS A 555 28.151 6.605 -0.111 1.00 3.58 N ATOM 0 H LYS A 555 27.852 1.604 -3.064 1.00 2.59 H new ATOM 0 HA LYS A 555 29.939 3.531 -3.137 1.00 2.88 H new ATOM 0 HB2 LYS A 555 27.933 3.834 -1.817 1.00 2.82 H new ATOM 0 HB3 LYS A 555 28.170 2.307 -0.990 1.00 2.82 H new ATOM 0 HG2 LYS A 555 30.191 3.230 0.118 1.00 2.71 H new ATOM 0 HG3 LYS A 555 29.934 4.759 -0.698 1.00 2.71 H new ATOM 0 HD2 LYS A 555 27.905 3.429 1.147 1.00 2.71 H new ATOM 0 HD3 LYS A 555 29.011 4.694 1.643 1.00 2.71 H new ATOM 0 HE2 LYS A 555 26.902 4.955 -0.538 1.00 2.99 H new ATOM 0 HE3 LYS A 555 26.753 5.577 1.094 1.00 2.99 H new ATOM 0 HZ1 LYS A 555 27.447 7.362 -0.226 1.00 3.58 H new ATOM 0 HZ2 LYS A 555 28.841 6.881 0.616 1.00 3.58 H new ATOM 0 HZ3 LYS A 555 28.643 6.450 -1.014 1.00 3.58 H new ATOM 738 N SER A 556 30.628 0.645 -1.760 1.00 2.91 N ATOM 739 CA SER A 556 31.693 -0.149 -1.180 1.00 3.12 C ATOM 740 C SER A 556 32.685 -0.582 -2.254 1.00 3.40 C ATOM 741 O SER A 556 33.900 -0.438 -2.090 1.00 3.67 O ATOM 742 CB SER A 556 31.104 -1.367 -0.471 1.00 2.84 C ATOM 743 OG SER A 556 32.058 -1.985 0.372 1.00 3.07 O ATOM 0 H SER A 556 29.764 0.132 -1.934 1.00 2.91 H new ATOM 0 HA SER A 556 32.228 0.459 -0.451 1.00 3.12 H new ATOM 0 HB2 SER A 556 30.238 -1.064 0.118 1.00 2.84 H new ATOM 0 HB3 SER A 556 30.751 -2.085 -1.211 1.00 2.84 H new ATOM 0 HG SER A 556 31.651 -2.760 0.813 1.00 3.07 H new ATOM 749 N LEU A 557 32.172 -1.107 -3.356 1.00 3.70 N ATOM 750 CA LEU A 557 33.023 -1.546 -4.448 1.00 4.05 C ATOM 751 C LEU A 557 32.585 -0.901 -5.757 1.00 4.48 C ATOM 752 O LEU A 557 31.720 -1.471 -6.459 1.00 4.98 O ATOM 753 CB LEU A 557 33.050 -3.083 -4.572 1.00 4.73 C ATOM 754 CG LEU A 557 31.691 -3.797 -4.572 1.00 5.04 C ATOM 755 CD1 LEU A 557 31.804 -5.136 -5.282 1.00 5.74 C ATOM 756 CD2 LEU A 557 31.195 -4.011 -3.148 1.00 5.35 C ATOM 757 OXT LEU A 557 33.115 0.180 -6.078 1.00 4.73 O ATOM 0 H LEU A 557 31.173 -1.239 -3.517 1.00 3.70 H new ATOM 0 HA LEU A 557 34.040 -1.224 -4.225 1.00 4.05 H new ATOM 0 HB2 LEU A 557 33.570 -3.341 -5.494 1.00 4.73 H new ATOM 0 HB3 LEU A 557 33.644 -3.481 -3.749 1.00 4.73 H new ATOM 0 HG LEU A 557 30.975 -3.168 -5.101 1.00 5.04 H new ATOM 0 HD11 LEU A 557 30.834 -5.634 -5.276 1.00 5.74 H new ATOM 0 HD12 LEU A 557 32.124 -4.976 -6.312 1.00 5.74 H new ATOM 0 HD13 LEU A 557 32.535 -5.760 -4.768 1.00 5.74 H new ATOM 0 HD21 LEU A 557 30.231 -4.518 -3.171 1.00 5.35 H new ATOM 0 HD22 LEU A 557 31.913 -4.621 -2.600 1.00 5.35 H new ATOM 0 HD23 LEU A 557 31.086 -3.047 -2.652 1.00 5.35 H new TER 769 LEU A 557