USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=12 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= 0.00404 USER MOD Single : A 515 CYS SG : rot 180:sc= 0 USER MOD Single : A 516 MET CE :methyl -151:sc= -0.166 (180deg=-1.27) USER MOD Single : A 517 SER OG : rot 180:sc= 0 USER MOD Single : A 520 SER OG : rot -84:sc= 1.06 USER MOD Single : A 521 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 524 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 X(o=0,f=0) USER MOD Single : A 530 LYS NZ :NH3+ 166:sc= -0.043 (180deg=-0.28) USER MOD Single : A 532 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 533 THR OG1 : rot 79:sc= 1.29 USER MOD Single : A 538 THR OG1 : rot 90:sc= 1.23 USER MOD Single : A 540 GLN : amide:sc= -1.54 K(o=-1.5,f=-0.038) USER MOD Single : A 541 ASN : amide:sc= -0.011 K(o=-0.011,f=-1) USER MOD Single : A 542 GLN : amide:sc= -0.245 X(o=-0.24,f=-0.24) USER MOD Single : A 544 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 545 GLN : amide:sc= -1.47! K(o=-1.5!,f=-0.18) USER MOD Single : A 550 GLN : amide:sc= -0.43 X(o=-0.43,f=-0.47) USER MOD Single : A 551 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 552 SER OG : rot 74:sc= 0.29 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 -32.525 13.245 1.586 1.00 9.10 N ATOM 2 CA GLY A 510 -33.293 11.981 1.484 1.00 8.55 C ATOM 3 C GLY A 510 -33.105 11.109 2.705 1.00 7.83 C ATOM 4 O GLY A 510 -32.592 11.569 3.729 1.00 8.04 O ATOM 0 HA2 GLY A 510 -34.352 12.208 1.359 1.00 8.55 H new ATOM 0 HA3 GLY A 510 -32.977 11.435 0.595 1.00 8.55 H new ATOM 10 N SER A 511 -33.512 9.853 2.603 1.00 7.22 N ATOM 11 CA SER A 511 -33.375 8.914 3.700 1.00 6.73 C ATOM 12 C SER A 511 -31.972 8.311 3.697 1.00 6.19 C ATOM 13 O SER A 511 -31.315 8.232 2.657 1.00 5.90 O ATOM 14 CB SER A 511 -34.431 7.812 3.577 1.00 6.95 C ATOM 15 OG SER A 511 -34.521 7.055 4.773 1.00 7.47 O ATOM 0 H SER A 511 -33.942 9.461 1.765 1.00 7.22 H new ATOM 0 HA SER A 511 -33.526 9.439 4.643 1.00 6.73 H new ATOM 0 HB2 SER A 511 -35.400 8.256 3.351 1.00 6.95 H new ATOM 0 HB3 SER A 511 -34.180 7.154 2.745 1.00 6.95 H new ATOM 0 HG SER A 511 -35.203 6.359 4.669 1.00 7.47 H new ATOM 21 N VAL A 512 -31.528 7.888 4.873 1.00 6.20 N ATOM 22 CA VAL A 512 -30.164 7.410 5.076 1.00 5.78 C ATOM 23 C VAL A 512 -29.913 6.069 4.384 1.00 5.49 C ATOM 24 O VAL A 512 -28.776 5.741 4.044 1.00 5.11 O ATOM 25 CB VAL A 512 -29.857 7.279 6.587 1.00 6.06 C ATOM 26 CG1 VAL A 512 -28.469 6.705 6.819 1.00 5.88 C ATOM 27 CG2 VAL A 512 -30.002 8.625 7.282 1.00 6.40 C ATOM 0 H VAL A 512 -32.103 7.866 5.715 1.00 6.20 H new ATOM 0 HA VAL A 512 -29.498 8.148 4.628 1.00 5.78 H new ATOM 0 HB VAL A 512 -30.582 6.587 7.016 1.00 6.06 H new ATOM 0 HG11 VAL A 512 -28.283 6.625 7.890 1.00 5.88 H new ATOM 0 HG12 VAL A 512 -28.403 5.716 6.365 1.00 5.88 H new ATOM 0 HG13 VAL A 512 -27.724 7.361 6.369 1.00 5.88 H new ATOM 0 HG21 VAL A 512 -29.782 8.512 8.344 1.00 6.40 H new ATOM 0 HG22 VAL A 512 -29.306 9.339 6.841 1.00 6.40 H new ATOM 0 HG23 VAL A 512 -31.022 8.990 7.160 1.00 6.40 H new ATOM 37 N GLU A 513 -30.979 5.314 4.159 1.00 5.73 N ATOM 38 CA GLU A 513 -30.882 3.974 3.601 1.00 5.58 C ATOM 39 C GLU A 513 -30.160 3.944 2.249 1.00 5.26 C ATOM 40 O GLU A 513 -29.459 2.980 1.937 1.00 4.95 O ATOM 41 CB GLU A 513 -32.276 3.384 3.458 1.00 6.03 C ATOM 42 CG GLU A 513 -33.075 3.377 4.749 1.00 6.54 C ATOM 43 CD GLU A 513 -34.341 2.556 4.643 1.00 7.02 C ATOM 44 OE1 GLU A 513 -35.335 3.057 4.079 1.00 7.27 O ATOM 45 OE2 GLU A 513 -34.353 1.403 5.123 1.00 7.40 O ATOM 0 H GLU A 513 -31.934 5.613 4.358 1.00 5.73 H new ATOM 0 HA GLU A 513 -30.286 3.376 4.290 1.00 5.58 H new ATOM 0 HB2 GLU A 513 -32.825 3.951 2.706 1.00 6.03 H new ATOM 0 HB3 GLU A 513 -32.191 2.362 3.089 1.00 6.03 H new ATOM 0 HG2 GLU A 513 -32.455 2.981 5.554 1.00 6.54 H new ATOM 0 HG3 GLU A 513 -33.332 4.401 5.019 1.00 6.54 H new ATOM 52 N THR A 514 -30.326 4.990 1.449 1.00 5.38 N ATOM 53 CA THR A 514 -29.666 5.057 0.153 1.00 5.15 C ATOM 54 C THR A 514 -28.189 5.408 0.309 1.00 4.74 C ATOM 55 O THR A 514 -27.316 4.741 -0.254 1.00 4.68 O ATOM 56 CB THR A 514 -30.347 6.082 -0.764 1.00 5.39 C ATOM 57 OG1 THR A 514 -30.508 7.332 -0.077 1.00 5.70 O ATOM 58 CG2 THR A 514 -31.699 5.573 -1.224 1.00 5.67 C ATOM 0 H THR A 514 -30.908 5.797 1.673 1.00 5.38 H new ATOM 0 HA THR A 514 -29.748 4.071 -0.304 1.00 5.15 H new ATOM 0 HB THR A 514 -29.713 6.232 -1.638 1.00 5.39 H new ATOM 0 HG1 THR A 514 -30.942 7.979 -0.672 1.00 5.70 H new ATOM 0 HG21 THR A 514 -32.165 6.314 -1.873 1.00 5.67 H new ATOM 0 HG22 THR A 514 -31.569 4.640 -1.773 1.00 5.67 H new ATOM 0 HG23 THR A 514 -32.336 5.398 -0.357 1.00 5.67 H new ATOM 66 N CYS A 515 -27.917 6.449 1.089 1.00 4.56 N ATOM 67 CA CYS A 515 -26.553 6.887 1.342 1.00 4.21 C ATOM 68 C CYS A 515 -25.749 5.779 2.011 1.00 3.93 C ATOM 69 O CYS A 515 -24.582 5.571 1.697 1.00 3.56 O ATOM 70 CB CYS A 515 -26.551 8.147 2.213 1.00 4.40 C ATOM 71 SG CYS A 515 -24.902 8.743 2.672 1.00 4.96 S ATOM 0 H CYS A 515 -28.630 7.007 1.559 1.00 4.56 H new ATOM 0 HA CYS A 515 -26.085 7.123 0.386 1.00 4.21 H new ATOM 0 HB2 CYS A 515 -27.075 8.941 1.682 1.00 4.40 H new ATOM 0 HB3 CYS A 515 -27.116 7.945 3.123 1.00 4.40 H new ATOM 0 HG CYS A 515 -25.015 9.811 3.405 1.00 4.96 H new ATOM 77 N MET A 516 -26.384 5.054 2.917 1.00 4.13 N ATOM 78 CA MET A 516 -25.720 3.965 3.615 1.00 3.95 C ATOM 79 C MET A 516 -25.265 2.888 2.631 1.00 3.70 C ATOM 80 O MET A 516 -24.211 2.276 2.812 1.00 3.40 O ATOM 81 CB MET A 516 -26.650 3.364 4.669 1.00 4.28 C ATOM 82 CG MET A 516 -25.992 2.291 5.523 1.00 4.27 C ATOM 83 SD MET A 516 -27.111 1.603 6.758 1.00 4.83 S ATOM 84 CE MET A 516 -27.481 3.064 7.729 1.00 5.80 C ATOM 0 H MET A 516 -27.357 5.199 3.186 1.00 4.13 H new ATOM 0 HA MET A 516 -24.838 4.366 4.114 1.00 3.95 H new ATOM 0 HB2 MET A 516 -27.013 4.161 5.318 1.00 4.28 H new ATOM 0 HB3 MET A 516 -27.521 2.937 4.172 1.00 4.28 H new ATOM 0 HG2 MET A 516 -25.632 1.489 4.878 1.00 4.27 H new ATOM 0 HG3 MET A 516 -25.121 2.714 6.023 1.00 4.27 H new ATOM 0 HE1 MET A 516 -27.700 2.772 8.756 1.00 5.80 H new ATOM 0 HE2 MET A 516 -26.622 3.735 7.718 1.00 5.80 H new ATOM 0 HE3 MET A 516 -28.346 3.574 7.304 1.00 5.80 H new ATOM 94 N SER A 517 -26.050 2.672 1.580 1.00 3.87 N ATOM 95 CA SER A 517 -25.717 1.666 0.582 1.00 3.73 C ATOM 96 C SER A 517 -24.505 2.109 -0.240 1.00 3.38 C ATOM 97 O SER A 517 -23.554 1.346 -0.421 1.00 3.11 O ATOM 98 CB SER A 517 -26.922 1.410 -0.332 1.00 4.09 C ATOM 99 OG SER A 517 -26.743 0.235 -1.109 1.00 4.52 O ATOM 0 H SER A 517 -26.917 3.178 1.399 1.00 3.87 H new ATOM 0 HA SER A 517 -25.463 0.737 1.093 1.00 3.73 H new ATOM 0 HB2 SER A 517 -27.825 1.315 0.272 1.00 4.09 H new ATOM 0 HB3 SER A 517 -27.068 2.265 -0.992 1.00 4.09 H new ATOM 0 HG SER A 517 -27.528 0.098 -1.680 1.00 4.52 H new ATOM 105 N LEU A 518 -24.524 3.352 -0.720 1.00 3.41 N ATOM 106 CA LEU A 518 -23.405 3.869 -1.493 1.00 3.15 C ATOM 107 C LEU A 518 -22.153 4.027 -0.633 1.00 2.83 C ATOM 108 O LEU A 518 -21.055 3.666 -1.053 1.00 2.54 O ATOM 109 CB LEU A 518 -23.764 5.181 -2.220 1.00 3.32 C ATOM 110 CG LEU A 518 -24.492 6.269 -1.416 1.00 3.52 C ATOM 111 CD1 LEU A 518 -23.509 7.162 -0.672 1.00 3.34 C ATOM 112 CD2 LEU A 518 -25.370 7.103 -2.335 1.00 3.86 C ATOM 0 H LEU A 518 -25.293 4.009 -0.588 1.00 3.41 H new ATOM 0 HA LEU A 518 -23.180 3.130 -2.262 1.00 3.15 H new ATOM 0 HB2 LEU A 518 -22.841 5.612 -2.608 1.00 3.32 H new ATOM 0 HB3 LEU A 518 -24.384 4.929 -3.080 1.00 3.32 H new ATOM 0 HG LEU A 518 -25.120 5.774 -0.675 1.00 3.52 H new ATOM 0 HD11 LEU A 518 -24.057 7.921 -0.114 1.00 3.34 H new ATOM 0 HD12 LEU A 518 -22.920 6.558 0.018 1.00 3.34 H new ATOM 0 HD13 LEU A 518 -22.845 7.647 -1.387 1.00 3.34 H new ATOM 0 HD21 LEU A 518 -25.880 7.870 -1.753 1.00 3.86 H new ATOM 0 HD22 LEU A 518 -24.752 7.577 -3.097 1.00 3.86 H new ATOM 0 HD23 LEU A 518 -26.108 6.460 -2.815 1.00 3.86 H new ATOM 124 N ALA A 519 -22.329 4.533 0.578 1.00 2.92 N ATOM 125 CA ALA A 519 -21.213 4.762 1.487 1.00 2.71 C ATOM 126 C ALA A 519 -20.531 3.457 1.879 1.00 2.50 C ATOM 127 O ALA A 519 -19.308 3.392 1.943 1.00 2.24 O ATOM 128 CB ALA A 519 -21.682 5.511 2.724 1.00 2.96 C ATOM 0 H ALA A 519 -23.239 4.795 0.957 1.00 2.92 H new ATOM 0 HA ALA A 519 -20.478 5.373 0.963 1.00 2.71 H new ATOM 0 HB1 ALA A 519 -20.837 5.674 3.393 1.00 2.96 H new ATOM 0 HB2 ALA A 519 -22.103 6.472 2.430 1.00 2.96 H new ATOM 0 HB3 ALA A 519 -22.443 4.924 3.238 1.00 2.96 H new ATOM 134 N SER A 520 -21.314 2.414 2.130 1.00 2.66 N ATOM 135 CA SER A 520 -20.747 1.120 2.484 1.00 2.54 C ATOM 136 C SER A 520 -19.990 0.536 1.295 1.00 2.31 C ATOM 137 O SER A 520 -18.949 -0.096 1.460 1.00 2.10 O ATOM 138 CB SER A 520 -21.836 0.157 2.964 1.00 2.83 C ATOM 139 OG SER A 520 -22.861 0.015 2.001 1.00 2.98 O ATOM 0 H SER A 520 -22.333 2.439 2.095 1.00 2.66 H new ATOM 0 HA SER A 520 -20.046 1.263 3.306 1.00 2.54 H new ATOM 0 HB2 SER A 520 -21.395 -0.817 3.174 1.00 2.83 H new ATOM 0 HB3 SER A 520 -22.261 0.523 3.899 1.00 2.83 H new ATOM 0 HG SER A 520 -23.504 0.748 2.097 1.00 2.98 H new ATOM 145 N GLN A 521 -20.510 0.770 0.093 1.00 2.40 N ATOM 146 CA GLN A 521 -19.830 0.357 -1.127 1.00 2.26 C ATOM 147 C GLN A 521 -18.484 1.071 -1.236 1.00 1.95 C ATOM 148 O GLN A 521 -17.465 0.460 -1.565 1.00 1.75 O ATOM 149 CB GLN A 521 -20.703 0.662 -2.345 1.00 2.49 C ATOM 150 CG GLN A 521 -20.118 0.190 -3.662 1.00 2.84 C ATOM 151 CD GLN A 521 -21.013 0.521 -4.840 1.00 3.23 C ATOM 152 OE1 GLN A 521 -20.891 1.583 -5.452 1.00 3.85 O ATOM 153 NE2 GLN A 521 -21.930 -0.379 -5.158 1.00 3.40 N ATOM 0 H GLN A 521 -21.400 1.244 -0.060 1.00 2.40 H new ATOM 0 HA GLN A 521 -19.653 -0.718 -1.093 1.00 2.26 H new ATOM 0 HB2 GLN A 521 -21.678 0.195 -2.205 1.00 2.49 H new ATOM 0 HB3 GLN A 521 -20.869 1.738 -2.399 1.00 2.49 H new ATOM 0 HG2 GLN A 521 -19.141 0.651 -3.809 1.00 2.84 H new ATOM 0 HG3 GLN A 521 -19.959 -0.888 -3.621 1.00 2.84 H new ATOM 0 HE21 GLN A 521 -21.999 -1.247 -4.626 1.00 3.40 H new ATOM 0 HE22 GLN A 521 -22.568 -0.205 -5.935 1.00 3.40 H new ATOM 162 N VAL A 522 -18.493 2.365 -0.938 1.00 1.94 N ATOM 163 CA VAL A 522 -17.268 3.153 -0.874 1.00 1.71 C ATOM 164 C VAL A 522 -16.342 2.602 0.208 1.00 1.52 C ATOM 165 O VAL A 522 -15.132 2.514 0.016 1.00 1.28 O ATOM 166 CB VAL A 522 -17.568 4.641 -0.584 1.00 1.86 C ATOM 167 CG1 VAL A 522 -16.281 5.438 -0.434 1.00 1.69 C ATOM 168 CG2 VAL A 522 -18.435 5.236 -1.681 1.00 2.07 C ATOM 0 H VAL A 522 -19.341 2.894 -0.736 1.00 1.94 H new ATOM 0 HA VAL A 522 -16.780 3.083 -1.846 1.00 1.71 H new ATOM 0 HB VAL A 522 -18.114 4.696 0.358 1.00 1.86 H new ATOM 0 HG11 VAL A 522 -16.521 6.482 -0.231 1.00 1.69 H new ATOM 0 HG12 VAL A 522 -15.696 5.033 0.392 1.00 1.69 H new ATOM 0 HG13 VAL A 522 -15.703 5.372 -1.355 1.00 1.69 H new ATOM 0 HG21 VAL A 522 -18.635 6.284 -1.458 1.00 2.07 H new ATOM 0 HG22 VAL A 522 -17.916 5.161 -2.636 1.00 2.07 H new ATOM 0 HG23 VAL A 522 -19.377 4.691 -1.736 1.00 2.07 H new ATOM 178 N VAL A 523 -16.926 2.220 1.339 1.00 1.66 N ATOM 179 CA VAL A 523 -16.179 1.674 2.456 1.00 1.58 C ATOM 180 C VAL A 523 -15.464 0.380 2.065 1.00 1.41 C ATOM 181 O VAL A 523 -14.302 0.181 2.418 1.00 1.24 O ATOM 182 CB VAL A 523 -17.114 1.448 3.669 1.00 1.85 C ATOM 183 CG1 VAL A 523 -16.587 0.366 4.588 1.00 1.86 C ATOM 184 CG2 VAL A 523 -17.302 2.748 4.432 1.00 1.98 C ATOM 0 H VAL A 523 -17.931 2.282 1.503 1.00 1.66 H new ATOM 0 HA VAL A 523 -15.414 2.397 2.740 1.00 1.58 H new ATOM 0 HB VAL A 523 -18.079 1.113 3.289 1.00 1.85 H new ATOM 0 HG11 VAL A 523 -17.270 0.237 5.427 1.00 1.86 H new ATOM 0 HG12 VAL A 523 -16.507 -0.571 4.038 1.00 1.86 H new ATOM 0 HG13 VAL A 523 -15.604 0.653 4.962 1.00 1.86 H new ATOM 0 HG21 VAL A 523 -17.961 2.578 5.283 1.00 1.98 H new ATOM 0 HG22 VAL A 523 -16.335 3.104 4.787 1.00 1.98 H new ATOM 0 HG23 VAL A 523 -17.745 3.496 3.774 1.00 1.98 H new ATOM 194 N LYS A 524 -16.150 -0.489 1.324 1.00 1.52 N ATOM 195 CA LYS A 524 -15.529 -1.715 0.822 1.00 1.44 C ATOM 196 C LYS A 524 -14.363 -1.388 -0.105 1.00 1.21 C ATOM 197 O LYS A 524 -13.291 -1.993 -0.014 1.00 1.07 O ATOM 198 CB LYS A 524 -16.547 -2.594 0.083 1.00 1.69 C ATOM 199 CG LYS A 524 -17.229 -3.627 0.964 1.00 1.91 C ATOM 200 CD LYS A 524 -18.258 -2.991 1.875 1.00 2.09 C ATOM 201 CE LYS A 524 -18.819 -3.991 2.874 1.00 2.33 C ATOM 202 NZ LYS A 524 -19.932 -3.415 3.673 1.00 2.48 N ATOM 0 H LYS A 524 -17.128 -0.369 1.059 1.00 1.52 H new ATOM 0 HA LYS A 524 -15.156 -2.269 1.684 1.00 1.44 H new ATOM 0 HB2 LYS A 524 -17.308 -1.954 -0.363 1.00 1.69 H new ATOM 0 HB3 LYS A 524 -16.042 -3.107 -0.736 1.00 1.69 H new ATOM 0 HG2 LYS A 524 -17.711 -4.378 0.338 1.00 1.91 H new ATOM 0 HG3 LYS A 524 -16.481 -4.145 1.565 1.00 1.91 H new ATOM 0 HD2 LYS A 524 -17.804 -2.157 2.411 1.00 2.09 H new ATOM 0 HD3 LYS A 524 -19.071 -2.580 1.276 1.00 2.09 H new ATOM 0 HE2 LYS A 524 -19.173 -4.874 2.343 1.00 2.33 H new ATOM 0 HE3 LYS A 524 -18.024 -4.319 3.544 1.00 2.33 H new ATOM 0 HZ1 LYS A 524 -20.285 -4.129 4.341 1.00 2.48 H new ATOM 0 HZ2 LYS A 524 -19.588 -2.587 4.201 1.00 2.48 H new ATOM 0 HZ3 LYS A 524 -20.702 -3.125 3.037 1.00 2.48 H new ATOM 216 N LEU A 525 -14.577 -0.417 -0.988 1.00 1.21 N ATOM 217 CA LEU A 525 -13.541 0.013 -1.921 1.00 1.06 C ATOM 218 C LEU A 525 -12.367 0.637 -1.177 1.00 0.82 C ATOM 219 O LEU A 525 -11.210 0.313 -1.445 1.00 0.67 O ATOM 220 CB LEU A 525 -14.112 1.006 -2.939 1.00 1.19 C ATOM 221 CG LEU A 525 -14.667 0.383 -4.224 1.00 1.42 C ATOM 222 CD1 LEU A 525 -15.517 -0.839 -3.917 1.00 1.62 C ATOM 223 CD2 LEU A 525 -15.473 1.410 -5.002 1.00 1.56 C ATOM 0 H LEU A 525 -15.459 0.087 -1.077 1.00 1.21 H new ATOM 0 HA LEU A 525 -13.181 -0.866 -2.455 1.00 1.06 H new ATOM 0 HB2 LEU A 525 -14.907 1.576 -2.459 1.00 1.19 H new ATOM 0 HB3 LEU A 525 -13.329 1.715 -3.208 1.00 1.19 H new ATOM 0 HG LEU A 525 -13.825 0.061 -4.836 1.00 1.42 H new ATOM 0 HD11 LEU A 525 -15.898 -1.260 -4.847 1.00 1.62 H new ATOM 0 HD12 LEU A 525 -14.910 -1.584 -3.402 1.00 1.62 H new ATOM 0 HD13 LEU A 525 -16.353 -0.550 -3.281 1.00 1.62 H new ATOM 0 HD21 LEU A 525 -15.861 0.954 -5.913 1.00 1.56 H new ATOM 0 HD22 LEU A 525 -16.303 1.761 -4.389 1.00 1.56 H new ATOM 0 HD23 LEU A 525 -14.833 2.253 -5.263 1.00 1.56 H new ATOM 235 N THR A 526 -12.677 1.502 -0.221 1.00 0.84 N ATOM 236 CA THR A 526 -11.676 2.170 0.577 1.00 0.73 C ATOM 237 C THR A 526 -10.894 1.153 1.405 1.00 0.62 C ATOM 238 O THR A 526 -9.690 1.306 1.628 1.00 0.52 O ATOM 239 CB THR A 526 -12.350 3.234 1.477 1.00 0.91 C ATOM 240 OG1 THR A 526 -12.277 4.529 0.869 1.00 1.14 O ATOM 241 CG2 THR A 526 -11.745 3.266 2.866 1.00 1.40 C ATOM 0 H THR A 526 -13.635 1.756 0.018 1.00 0.84 H new ATOM 0 HA THR A 526 -10.968 2.677 -0.079 1.00 0.73 H new ATOM 0 HB THR A 526 -13.398 2.953 1.583 1.00 0.91 H new ATOM 0 HG1 THR A 526 -12.709 5.188 1.451 1.00 1.14 H new ATOM 0 HG21 THR A 526 -12.247 4.026 3.464 1.00 1.40 H new ATOM 0 HG22 THR A 526 -11.869 2.292 3.339 1.00 1.40 H new ATOM 0 HG23 THR A 526 -10.683 3.503 2.795 1.00 1.40 H new ATOM 249 N LYS A 527 -11.583 0.097 1.827 1.00 0.72 N ATOM 250 CA LYS A 527 -10.959 -0.984 2.571 1.00 0.71 C ATOM 251 C LYS A 527 -9.850 -1.614 1.739 1.00 0.55 C ATOM 252 O LYS A 527 -8.722 -1.774 2.210 1.00 0.47 O ATOM 253 CB LYS A 527 -12.006 -2.045 2.931 1.00 0.91 C ATOM 254 CG LYS A 527 -11.489 -3.153 3.833 1.00 1.04 C ATOM 255 CD LYS A 527 -11.114 -2.621 5.204 1.00 1.12 C ATOM 256 CE LYS A 527 -12.306 -1.989 5.902 1.00 1.24 C ATOM 257 NZ LYS A 527 -11.925 -1.373 7.195 1.00 1.60 N ATOM 0 H LYS A 527 -12.582 -0.030 1.663 1.00 0.72 H new ATOM 0 HA LYS A 527 -10.531 -0.581 3.489 1.00 0.71 H new ATOM 0 HB2 LYS A 527 -12.848 -1.556 3.422 1.00 0.91 H new ATOM 0 HB3 LYS A 527 -12.387 -2.489 2.011 1.00 0.91 H new ATOM 0 HG2 LYS A 527 -12.251 -3.925 3.937 1.00 1.04 H new ATOM 0 HG3 LYS A 527 -10.620 -3.623 3.373 1.00 1.04 H new ATOM 0 HD2 LYS A 527 -10.722 -3.433 5.816 1.00 1.12 H new ATOM 0 HD3 LYS A 527 -10.317 -1.884 5.104 1.00 1.12 H new ATOM 0 HE2 LYS A 527 -12.746 -1.231 5.254 1.00 1.24 H new ATOM 0 HE3 LYS A 527 -13.071 -2.747 6.072 1.00 1.24 H new ATOM 0 HZ1 LYS A 527 -12.766 -0.953 7.640 1.00 1.60 H new ATOM 0 HZ2 LYS A 527 -11.528 -2.101 7.823 1.00 1.60 H new ATOM 0 HZ3 LYS A 527 -11.214 -0.632 7.030 1.00 1.60 H new ATOM 271 N GLN A 528 -10.173 -1.930 0.488 1.00 0.59 N ATOM 272 CA GLN A 528 -9.214 -2.543 -0.423 1.00 0.55 C ATOM 273 C GLN A 528 -8.109 -1.561 -0.794 1.00 0.40 C ATOM 274 O GLN A 528 -6.936 -1.925 -0.850 1.00 0.37 O ATOM 275 CB GLN A 528 -9.920 -3.025 -1.690 1.00 0.75 C ATOM 276 CG GLN A 528 -10.996 -4.064 -1.431 1.00 1.38 C ATOM 277 CD GLN A 528 -11.688 -4.506 -2.703 1.00 1.87 C ATOM 278 OE1 GLN A 528 -12.685 -3.915 -3.120 1.00 2.56 O ATOM 279 NE2 GLN A 528 -11.172 -5.554 -3.322 1.00 2.33 N ATOM 0 H GLN A 528 -11.095 -1.771 0.082 1.00 0.59 H new ATOM 0 HA GLN A 528 -8.765 -3.396 0.086 1.00 0.55 H new ATOM 0 HB2 GLN A 528 -10.368 -2.169 -2.194 1.00 0.75 H new ATOM 0 HB3 GLN A 528 -9.179 -3.444 -2.371 1.00 0.75 H new ATOM 0 HG2 GLN A 528 -10.551 -4.931 -0.943 1.00 1.38 H new ATOM 0 HG3 GLN A 528 -11.735 -3.654 -0.742 1.00 1.38 H new ATOM 0 HE21 GLN A 528 -10.345 -6.014 -2.942 1.00 2.33 H new ATOM 0 HE22 GLN A 528 -11.601 -5.902 -4.179 1.00 2.33 H new ATOM 288 N LEU A 529 -8.493 -0.313 -1.041 1.00 0.37 N ATOM 289 CA LEU A 529 -7.543 0.727 -1.417 1.00 0.33 C ATOM 290 C LEU A 529 -6.509 0.943 -0.324 1.00 0.22 C ATOM 291 O LEU A 529 -5.310 1.025 -0.595 1.00 0.26 O ATOM 292 CB LEU A 529 -8.276 2.041 -1.678 1.00 0.43 C ATOM 293 CG LEU A 529 -9.233 2.036 -2.865 1.00 0.58 C ATOM 294 CD1 LEU A 529 -10.041 3.319 -2.876 1.00 0.67 C ATOM 295 CD2 LEU A 529 -8.466 1.875 -4.165 1.00 0.69 C ATOM 0 H LEU A 529 -9.461 0.004 -0.987 1.00 0.37 H new ATOM 0 HA LEU A 529 -7.035 0.401 -2.325 1.00 0.33 H new ATOM 0 HB2 LEU A 529 -8.837 2.307 -0.782 1.00 0.43 H new ATOM 0 HB3 LEU A 529 -7.535 2.825 -1.835 1.00 0.43 H new ATOM 0 HG LEU A 529 -9.915 1.191 -2.768 1.00 0.58 H new ATOM 0 HD11 LEU A 529 -10.724 3.312 -3.726 1.00 0.67 H new ATOM 0 HD12 LEU A 529 -10.613 3.397 -1.951 1.00 0.67 H new ATOM 0 HD13 LEU A 529 -9.368 4.172 -2.959 1.00 0.67 H new ATOM 0 HD21 LEU A 529 -9.165 1.873 -5.002 1.00 0.69 H new ATOM 0 HD22 LEU A 529 -7.765 2.702 -4.279 1.00 0.69 H new ATOM 0 HD23 LEU A 529 -7.917 0.934 -4.149 1.00 0.69 H new ATOM 307 N LYS A 530 -6.981 1.027 0.912 1.00 0.23 N ATOM 308 CA LYS A 530 -6.094 1.200 2.055 1.00 0.30 C ATOM 309 C LYS A 530 -5.135 0.021 2.177 1.00 0.24 C ATOM 310 O LYS A 530 -3.936 0.207 2.383 1.00 0.29 O ATOM 311 CB LYS A 530 -6.900 1.361 3.347 1.00 0.47 C ATOM 312 CG LYS A 530 -6.039 1.669 4.562 1.00 1.14 C ATOM 313 CD LYS A 530 -6.882 1.836 5.814 1.00 1.72 C ATOM 314 CE LYS A 530 -6.031 2.217 7.018 1.00 2.36 C ATOM 315 NZ LYS A 530 -5.342 3.521 6.821 1.00 2.78 N ATOM 0 H LYS A 530 -7.972 0.978 1.149 1.00 0.23 H new ATOM 0 HA LYS A 530 -5.511 2.107 1.894 1.00 0.30 H new ATOM 0 HB2 LYS A 530 -7.628 2.161 3.215 1.00 0.47 H new ATOM 0 HB3 LYS A 530 -7.462 0.446 3.532 1.00 0.47 H new ATOM 0 HG2 LYS A 530 -5.319 0.865 4.712 1.00 1.14 H new ATOM 0 HG3 LYS A 530 -5.468 2.580 4.383 1.00 1.14 H new ATOM 0 HD2 LYS A 530 -7.637 2.603 5.645 1.00 1.72 H new ATOM 0 HD3 LYS A 530 -7.412 0.907 6.022 1.00 1.72 H new ATOM 0 HE2 LYS A 530 -6.661 2.270 7.906 1.00 2.36 H new ATOM 0 HE3 LYS A 530 -5.290 1.439 7.199 1.00 2.36 H new ATOM 0 HZ1 LYS A 530 -4.971 3.859 7.732 1.00 2.78 H new ATOM 0 HZ2 LYS A 530 -4.556 3.401 6.150 1.00 2.78 H new ATOM 0 HZ3 LYS A 530 -6.016 4.216 6.443 1.00 2.78 H new ATOM 329 N GLU A 531 -5.662 -1.190 2.021 1.00 0.21 N ATOM 330 CA GLU A 531 -4.847 -2.396 2.118 1.00 0.26 C ATOM 331 C GLU A 531 -3.818 -2.457 0.992 1.00 0.23 C ATOM 332 O GLU A 531 -2.677 -2.862 1.208 1.00 0.26 O ATOM 333 CB GLU A 531 -5.733 -3.641 2.110 1.00 0.37 C ATOM 334 CG GLU A 531 -6.633 -3.735 3.332 1.00 0.50 C ATOM 335 CD GLU A 531 -7.506 -4.969 3.331 1.00 0.68 C ATOM 336 OE1 GLU A 531 -7.000 -6.060 3.658 1.00 1.00 O ATOM 337 OE2 GLU A 531 -8.711 -4.850 3.028 1.00 0.98 O ATOM 0 H GLU A 531 -6.649 -1.362 1.827 1.00 0.21 H new ATOM 0 HA GLU A 531 -4.305 -2.363 3.063 1.00 0.26 H new ATOM 0 HB2 GLU A 531 -6.349 -3.636 1.211 1.00 0.37 H new ATOM 0 HB3 GLU A 531 -5.103 -4.529 2.060 1.00 0.37 H new ATOM 0 HG2 GLU A 531 -6.017 -3.734 4.231 1.00 0.50 H new ATOM 0 HG3 GLU A 531 -7.266 -2.849 3.379 1.00 0.50 H new ATOM 344 N GLN A 532 -4.216 -2.033 -0.200 1.00 0.23 N ATOM 345 CA GLN A 532 -3.299 -1.971 -1.331 1.00 0.32 C ATOM 346 C GLN A 532 -2.201 -0.945 -1.062 1.00 0.33 C ATOM 347 O GLN A 532 -1.039 -1.144 -1.423 1.00 0.41 O ATOM 348 CB GLN A 532 -4.052 -1.609 -2.611 1.00 0.40 C ATOM 349 CG GLN A 532 -3.166 -1.559 -3.844 1.00 0.97 C ATOM 350 CD GLN A 532 -3.927 -1.173 -5.095 1.00 1.51 C ATOM 351 OE1 GLN A 532 -4.031 0.005 -5.436 1.00 2.20 O ATOM 352 NE2 GLN A 532 -4.472 -2.163 -5.781 1.00 2.06 N ATOM 0 H GLN A 532 -5.166 -1.727 -0.409 1.00 0.23 H new ATOM 0 HA GLN A 532 -2.843 -2.952 -1.461 1.00 0.32 H new ATOM 0 HB2 GLN A 532 -4.846 -2.338 -2.774 1.00 0.40 H new ATOM 0 HB3 GLN A 532 -4.531 -0.639 -2.479 1.00 0.40 H new ATOM 0 HG2 GLN A 532 -2.360 -0.844 -3.679 1.00 0.97 H new ATOM 0 HG3 GLN A 532 -2.702 -2.534 -3.992 1.00 0.97 H new ATOM 0 HE21 GLN A 532 -4.361 -3.126 -5.463 1.00 2.06 H new ATOM 0 HE22 GLN A 532 -5.003 -1.964 -6.629 1.00 2.06 H new ATOM 361 N THR A 533 -2.578 0.145 -0.412 1.00 0.29 N ATOM 362 CA THR A 533 -1.638 1.207 -0.090 1.00 0.36 C ATOM 363 C THR A 533 -0.657 0.763 0.992 1.00 0.35 C ATOM 364 O THR A 533 0.548 0.945 0.843 1.00 0.41 O ATOM 365 CB THR A 533 -2.375 2.484 0.364 1.00 0.41 C ATOM 366 OG1 THR A 533 -3.375 2.841 -0.601 1.00 0.45 O ATOM 367 CG2 THR A 533 -1.402 3.640 0.524 1.00 0.53 C ATOM 0 H THR A 533 -3.532 0.318 -0.096 1.00 0.29 H new ATOM 0 HA THR A 533 -1.079 1.432 -0.998 1.00 0.36 H new ATOM 0 HB THR A 533 -2.845 2.281 1.326 1.00 0.41 H new ATOM 0 HG1 THR A 533 -4.165 2.274 -0.479 1.00 0.45 H new ATOM 0 HG21 THR A 533 -1.944 4.530 0.845 1.00 0.53 H new ATOM 0 HG22 THR A 533 -0.651 3.383 1.272 1.00 0.53 H new ATOM 0 HG23 THR A 533 -0.912 3.838 -0.429 1.00 0.53 H new ATOM 375 N VAL A 534 -1.160 0.155 2.065 1.00 0.29 N ATOM 376 CA VAL A 534 -0.303 -0.241 3.178 1.00 0.32 C ATOM 377 C VAL A 534 0.731 -1.287 2.753 1.00 0.32 C ATOM 378 O VAL A 534 1.883 -1.225 3.175 1.00 0.35 O ATOM 379 CB VAL A 534 -1.102 -0.750 4.402 1.00 0.32 C ATOM 380 CG1 VAL A 534 -1.947 0.368 4.991 1.00 0.36 C ATOM 381 CG2 VAL A 534 -1.976 -1.941 4.048 1.00 0.28 C ATOM 0 H VAL A 534 -2.147 -0.072 2.186 1.00 0.29 H new ATOM 0 HA VAL A 534 0.221 0.665 3.483 1.00 0.32 H new ATOM 0 HB VAL A 534 -0.380 -1.079 5.149 1.00 0.32 H new ATOM 0 HG11 VAL A 534 -2.501 -0.009 5.850 1.00 0.36 H new ATOM 0 HG12 VAL A 534 -1.299 1.186 5.307 1.00 0.36 H new ATOM 0 HG13 VAL A 534 -2.647 0.730 4.238 1.00 0.36 H new ATOM 0 HG21 VAL A 534 -2.521 -2.269 4.934 1.00 0.28 H new ATOM 0 HG22 VAL A 534 -2.685 -1.654 3.272 1.00 0.28 H new ATOM 0 HG23 VAL A 534 -1.350 -2.756 3.685 1.00 0.28 H new ATOM 391 N GLU A 535 0.336 -2.233 1.908 1.00 0.29 N ATOM 392 CA GLU A 535 1.275 -3.228 1.408 1.00 0.32 C ATOM 393 C GLU A 535 2.267 -2.587 0.443 1.00 0.36 C ATOM 394 O GLU A 535 3.436 -2.968 0.394 1.00 0.39 O ATOM 395 CB GLU A 535 0.534 -4.383 0.725 1.00 0.34 C ATOM 396 CG GLU A 535 -0.302 -3.945 -0.465 1.00 0.36 C ATOM 397 CD GLU A 535 -1.020 -5.087 -1.156 1.00 0.54 C ATOM 398 OE1 GLU A 535 -2.009 -5.598 -0.592 1.00 0.81 O ATOM 399 OE2 GLU A 535 -0.579 -5.503 -2.247 1.00 0.69 O ATOM 0 H GLU A 535 -0.617 -2.331 1.559 1.00 0.29 H new ATOM 0 HA GLU A 535 1.827 -3.632 2.257 1.00 0.32 H new ATOM 0 HB2 GLU A 535 1.260 -5.126 0.395 1.00 0.34 H new ATOM 0 HB3 GLU A 535 -0.113 -4.871 1.454 1.00 0.34 H new ATOM 0 HG2 GLU A 535 -1.038 -3.213 -0.132 1.00 0.36 H new ATOM 0 HG3 GLU A 535 0.343 -3.443 -1.186 1.00 0.36 H new ATOM 406 N ARG A 536 1.799 -1.599 -0.308 1.00 0.38 N ATOM 407 CA ARG A 536 2.651 -0.898 -1.259 1.00 0.44 C ATOM 408 C ARG A 536 3.657 -0.002 -0.540 1.00 0.46 C ATOM 409 O ARG A 536 4.844 -0.019 -0.862 1.00 0.49 O ATOM 410 CB ARG A 536 1.788 -0.099 -2.244 1.00 0.49 C ATOM 411 CG ARG A 536 2.578 0.798 -3.184 1.00 0.59 C ATOM 412 CD ARG A 536 2.620 2.229 -2.678 1.00 0.65 C ATOM 413 NE ARG A 536 1.324 2.885 -2.804 1.00 0.70 N ATOM 414 CZ ARG A 536 1.112 4.166 -2.522 1.00 0.93 C ATOM 415 NH1 ARG A 536 2.117 4.940 -2.121 1.00 1.38 N ATOM 416 NH2 ARG A 536 -0.108 4.673 -2.648 1.00 0.94 N ATOM 0 H ARG A 536 0.836 -1.265 -0.277 1.00 0.38 H new ATOM 0 HA ARG A 536 3.224 -1.633 -1.824 1.00 0.44 H new ATOM 0 HB2 ARG A 536 1.196 -0.795 -2.838 1.00 0.49 H new ATOM 0 HB3 ARG A 536 1.087 0.515 -1.679 1.00 0.49 H new ATOM 0 HG2 ARG A 536 3.594 0.416 -3.286 1.00 0.59 H new ATOM 0 HG3 ARG A 536 2.128 0.774 -4.176 1.00 0.59 H new ATOM 0 HD2 ARG A 536 2.931 2.236 -1.633 1.00 0.65 H new ATOM 0 HD3 ARG A 536 3.368 2.791 -3.238 1.00 0.65 H new ATOM 0 HE ARG A 536 0.533 2.328 -3.128 1.00 0.70 H new ATOM 0 HH11 ARG A 536 3.055 4.551 -2.029 1.00 1.38 H new ATOM 0 HH12 ARG A 536 1.949 5.923 -1.906 1.00 1.38 H new ATOM 0 HH21 ARG A 536 -0.877 4.080 -2.960 1.00 0.94 H new ATOM 0 HH22 ARG A 536 -0.277 5.656 -2.433 1.00 0.94 H new ATOM 430 N VAL A 537 3.192 0.761 0.444 1.00 0.45 N ATOM 431 CA VAL A 537 4.081 1.644 1.196 1.00 0.49 C ATOM 432 C VAL A 537 5.104 0.820 1.961 1.00 0.45 C ATOM 433 O VAL A 537 6.269 1.189 2.050 1.00 0.48 O ATOM 434 CB VAL A 537 3.330 2.584 2.172 1.00 0.51 C ATOM 435 CG1 VAL A 537 2.353 3.460 1.412 1.00 0.55 C ATOM 436 CG2 VAL A 537 2.608 1.803 3.261 1.00 0.47 C ATOM 0 H VAL A 537 2.216 0.787 0.738 1.00 0.45 H new ATOM 0 HA VAL A 537 4.578 2.282 0.465 1.00 0.49 H new ATOM 0 HB VAL A 537 4.071 3.218 2.658 1.00 0.51 H new ATOM 0 HG11 VAL A 537 1.832 4.115 2.110 1.00 0.55 H new ATOM 0 HG12 VAL A 537 2.895 4.063 0.684 1.00 0.55 H new ATOM 0 HG13 VAL A 537 1.628 2.832 0.894 1.00 0.55 H new ATOM 0 HG21 VAL A 537 2.093 2.497 3.926 1.00 0.47 H new ATOM 0 HG22 VAL A 537 1.881 1.130 2.805 1.00 0.47 H new ATOM 0 HG23 VAL A 537 3.332 1.222 3.833 1.00 0.47 H new ATOM 446 N THR A 538 4.649 -0.300 2.504 1.00 0.40 N ATOM 447 CA THR A 538 5.519 -1.232 3.199 1.00 0.38 C ATOM 448 C THR A 538 6.600 -1.773 2.258 1.00 0.36 C ATOM 449 O THR A 538 7.772 -1.857 2.626 1.00 0.34 O ATOM 450 CB THR A 538 4.699 -2.396 3.785 1.00 0.35 C ATOM 451 OG1 THR A 538 3.828 -1.913 4.816 1.00 0.36 O ATOM 452 CG2 THR A 538 5.603 -3.479 4.339 1.00 0.36 C ATOM 0 H THR A 538 3.670 -0.586 2.474 1.00 0.40 H new ATOM 0 HA THR A 538 6.007 -0.697 4.014 1.00 0.38 H new ATOM 0 HB THR A 538 4.103 -2.828 2.981 1.00 0.35 H new ATOM 0 HG1 THR A 538 2.971 -1.646 4.422 1.00 0.36 H new ATOM 0 HG21 THR A 538 4.995 -4.287 4.746 1.00 0.36 H new ATOM 0 HG22 THR A 538 6.237 -3.867 3.542 1.00 0.36 H new ATOM 0 HG23 THR A 538 6.228 -3.062 5.129 1.00 0.36 H new ATOM 460 N LEU A 539 6.205 -2.106 1.032 1.00 0.37 N ATOM 461 CA LEU A 539 7.134 -2.604 0.039 1.00 0.37 C ATOM 462 C LEU A 539 8.121 -1.501 -0.334 1.00 0.38 C ATOM 463 O LEU A 539 9.323 -1.735 -0.421 1.00 0.35 O ATOM 464 CB LEU A 539 6.341 -3.117 -1.177 1.00 0.42 C ATOM 465 CG LEU A 539 7.145 -3.585 -2.396 1.00 0.47 C ATOM 466 CD1 LEU A 539 7.562 -2.395 -3.234 1.00 0.52 C ATOM 467 CD2 LEU A 539 8.365 -4.395 -1.976 1.00 0.44 C ATOM 0 H LEU A 539 5.240 -2.037 0.708 1.00 0.37 H new ATOM 0 HA LEU A 539 7.714 -3.438 0.435 1.00 0.37 H new ATOM 0 HB2 LEU A 539 5.716 -3.947 -0.846 1.00 0.42 H new ATOM 0 HB3 LEU A 539 5.669 -2.322 -1.501 1.00 0.42 H new ATOM 0 HG LEU A 539 6.506 -4.233 -2.995 1.00 0.47 H new ATOM 0 HD11 LEU A 539 8.132 -2.739 -4.097 1.00 0.52 H new ATOM 0 HD12 LEU A 539 6.675 -1.861 -3.575 1.00 0.52 H new ATOM 0 HD13 LEU A 539 8.180 -1.726 -2.634 1.00 0.52 H new ATOM 0 HD21 LEU A 539 8.914 -4.712 -2.863 1.00 0.44 H new ATOM 0 HD22 LEU A 539 9.012 -3.781 -1.349 1.00 0.44 H new ATOM 0 HD23 LEU A 539 8.044 -5.273 -1.415 1.00 0.44 H new ATOM 479 N GLN A 540 7.603 -0.296 -0.537 1.00 0.43 N ATOM 480 CA GLN A 540 8.447 0.862 -0.812 1.00 0.45 C ATOM 481 C GLN A 540 9.380 1.139 0.362 1.00 0.35 C ATOM 482 O GLN A 540 10.503 1.586 0.179 1.00 0.30 O ATOM 483 CB GLN A 540 7.597 2.096 -1.089 1.00 0.58 C ATOM 484 CG GLN A 540 6.724 1.971 -2.322 1.00 0.69 C ATOM 485 CD GLN A 540 7.525 1.937 -3.609 1.00 0.73 C ATOM 486 OE1 GLN A 540 7.824 2.978 -4.191 1.00 1.05 O ATOM 487 NE2 GLN A 540 7.861 0.746 -4.070 1.00 1.55 N ATOM 0 H GLN A 540 6.603 -0.094 -0.517 1.00 0.43 H new ATOM 0 HA GLN A 540 9.044 0.637 -1.696 1.00 0.45 H new ATOM 0 HB2 GLN A 540 6.963 2.291 -0.224 1.00 0.58 H new ATOM 0 HB3 GLN A 540 8.252 2.959 -1.205 1.00 0.58 H new ATOM 0 HG2 GLN A 540 6.126 1.063 -2.248 1.00 0.69 H new ATOM 0 HG3 GLN A 540 6.028 2.809 -2.355 1.00 0.69 H new ATOM 0 HE21 GLN A 540 7.593 -0.094 -3.557 1.00 1.55 H new ATOM 0 HE22 GLN A 540 8.388 0.666 -4.940 1.00 1.55 H new ATOM 496 N ASN A 541 8.896 0.869 1.566 1.00 0.37 N ATOM 497 CA ASN A 541 9.692 1.033 2.780 1.00 0.34 C ATOM 498 C ASN A 541 10.851 0.046 2.779 1.00 0.25 C ATOM 499 O ASN A 541 11.982 0.391 3.127 1.00 0.25 O ATOM 500 CB ASN A 541 8.817 0.804 4.018 1.00 0.42 C ATOM 501 CG ASN A 541 9.485 1.254 5.302 1.00 0.49 C ATOM 502 OD1 ASN A 541 10.306 2.171 5.304 1.00 1.08 O ATOM 503 ND2 ASN A 541 9.127 0.621 6.406 1.00 1.21 N ATOM 0 H ASN A 541 7.948 0.532 1.731 1.00 0.37 H new ATOM 0 HA ASN A 541 10.087 2.048 2.807 1.00 0.34 H new ATOM 0 HB2 ASN A 541 7.876 1.340 3.896 1.00 0.42 H new ATOM 0 HB3 ASN A 541 8.572 -0.256 4.093 1.00 0.42 H new ATOM 0 HD21 ASN A 541 9.535 0.888 7.302 1.00 1.21 H new ATOM 0 HD22 ASN A 541 8.443 -0.134 6.362 1.00 1.21 H new ATOM 510 N GLN A 542 10.565 -1.185 2.373 1.00 0.22 N ATOM 511 CA GLN A 542 11.597 -2.203 2.245 1.00 0.21 C ATOM 512 C GLN A 542 12.541 -1.846 1.106 1.00 0.18 C ATOM 513 O GLN A 542 13.748 -2.049 1.199 1.00 0.24 O ATOM 514 CB GLN A 542 10.979 -3.583 1.998 1.00 0.27 C ATOM 515 CG GLN A 542 10.057 -4.056 3.111 1.00 0.33 C ATOM 516 CD GLN A 542 10.684 -3.916 4.483 1.00 1.18 C ATOM 517 OE1 GLN A 542 11.398 -4.802 4.950 1.00 1.94 O ATOM 518 NE2 GLN A 542 10.400 -2.809 5.149 1.00 1.98 N ATOM 0 H GLN A 542 9.627 -1.501 2.127 1.00 0.22 H new ATOM 0 HA GLN A 542 12.157 -2.241 3.180 1.00 0.21 H new ATOM 0 HB2 GLN A 542 10.419 -3.557 1.063 1.00 0.27 H new ATOM 0 HB3 GLN A 542 11.780 -4.311 1.870 1.00 0.27 H new ATOM 0 HG2 GLN A 542 9.130 -3.483 3.079 1.00 0.33 H new ATOM 0 HG3 GLN A 542 9.793 -5.100 2.941 1.00 0.33 H new ATOM 0 HE21 GLN A 542 9.803 -2.098 4.726 1.00 1.98 H new ATOM 0 HE22 GLN A 542 10.778 -2.666 6.086 1.00 1.98 H new ATOM 527 N LEU A 543 11.973 -1.302 0.037 1.00 0.19 N ATOM 528 CA LEU A 543 12.754 -0.867 -1.112 1.00 0.23 C ATOM 529 C LEU A 543 13.624 0.329 -0.743 1.00 0.16 C ATOM 530 O LEU A 543 14.727 0.488 -1.258 1.00 0.24 O ATOM 531 CB LEU A 543 11.829 -0.528 -2.286 1.00 0.34 C ATOM 532 CG LEU A 543 12.525 -0.341 -3.635 1.00 0.46 C ATOM 533 CD1 LEU A 543 11.588 -0.724 -4.768 1.00 0.61 C ATOM 534 CD2 LEU A 543 12.994 1.097 -3.819 1.00 0.43 C ATOM 0 H LEU A 543 10.969 -1.151 -0.057 1.00 0.19 H new ATOM 0 HA LEU A 543 13.410 -1.682 -1.418 1.00 0.23 H new ATOM 0 HB2 LEU A 543 11.089 -1.322 -2.385 1.00 0.34 H new ATOM 0 HB3 LEU A 543 11.286 0.386 -2.047 1.00 0.34 H new ATOM 0 HG LEU A 543 13.399 -0.992 -3.653 1.00 0.46 H new ATOM 0 HD11 LEU A 543 12.096 -0.586 -5.723 1.00 0.61 H new ATOM 0 HD12 LEU A 543 11.295 -1.768 -4.660 1.00 0.61 H new ATOM 0 HD13 LEU A 543 10.700 -0.093 -4.735 1.00 0.61 H new ATOM 0 HD21 LEU A 543 13.485 1.199 -4.787 1.00 0.43 H new ATOM 0 HD22 LEU A 543 12.136 1.768 -3.775 1.00 0.43 H new ATOM 0 HD23 LEU A 543 13.697 1.355 -3.027 1.00 0.43 H new ATOM 546 N GLN A 544 13.125 1.166 0.155 1.00 0.11 N ATOM 547 CA GLN A 544 13.890 2.288 0.658 1.00 0.20 C ATOM 548 C GLN A 544 15.132 1.783 1.379 1.00 0.29 C ATOM 549 O GLN A 544 16.241 2.258 1.142 1.00 0.37 O ATOM 550 CB GLN A 544 13.028 3.137 1.595 1.00 0.32 C ATOM 551 CG GLN A 544 13.815 4.205 2.318 1.00 0.49 C ATOM 552 CD GLN A 544 12.961 5.054 3.232 1.00 0.78 C ATOM 553 OE1 GLN A 544 12.791 4.741 4.408 1.00 1.34 O ATOM 554 NE2 GLN A 544 12.412 6.132 2.697 1.00 1.64 N ATOM 0 H GLN A 544 12.188 1.085 0.550 1.00 0.11 H new ATOM 0 HA GLN A 544 14.202 2.913 -0.179 1.00 0.20 H new ATOM 0 HB2 GLN A 544 12.231 3.608 1.019 1.00 0.32 H new ATOM 0 HB3 GLN A 544 12.550 2.487 2.328 1.00 0.32 H new ATOM 0 HG2 GLN A 544 14.604 3.733 2.903 1.00 0.49 H new ATOM 0 HG3 GLN A 544 14.302 4.848 1.585 1.00 0.49 H new ATOM 0 HE21 GLN A 544 12.579 6.356 1.716 1.00 1.64 H new ATOM 0 HE22 GLN A 544 11.822 6.739 3.266 1.00 1.64 H new ATOM 563 N GLN A 545 14.940 0.791 2.236 1.00 0.33 N ATOM 564 CA GLN A 545 16.049 0.147 2.917 1.00 0.47 C ATOM 565 C GLN A 545 16.948 -0.542 1.890 1.00 0.50 C ATOM 566 O GLN A 545 18.167 -0.566 2.031 1.00 0.63 O ATOM 567 CB GLN A 545 15.506 -0.862 3.937 1.00 0.53 C ATOM 568 CG GLN A 545 16.442 -1.131 5.101 1.00 1.16 C ATOM 569 CD GLN A 545 17.580 -2.077 4.758 1.00 1.53 C ATOM 570 OE1 GLN A 545 18.682 -1.951 5.288 1.00 1.91 O ATOM 571 NE2 GLN A 545 17.312 -3.056 3.907 1.00 2.20 N ATOM 0 H GLN A 545 14.023 0.415 2.476 1.00 0.33 H new ATOM 0 HA GLN A 545 16.642 0.891 3.449 1.00 0.47 H new ATOM 0 HB2 GLN A 545 14.556 -0.494 4.326 1.00 0.53 H new ATOM 0 HB3 GLN A 545 15.299 -1.803 3.427 1.00 0.53 H new ATOM 0 HG2 GLN A 545 16.858 -0.185 5.448 1.00 1.16 H new ATOM 0 HG3 GLN A 545 15.869 -1.550 5.928 1.00 1.16 H new ATOM 0 HE21 GLN A 545 16.385 -3.128 3.487 1.00 2.20 H new ATOM 0 HE22 GLN A 545 18.033 -3.738 3.671 1.00 2.20 H new ATOM 580 N PHE A 546 16.327 -1.072 0.844 1.00 0.42 N ATOM 581 CA PHE A 546 17.036 -1.752 -0.228 1.00 0.53 C ATOM 582 C PHE A 546 17.946 -0.787 -0.997 1.00 0.61 C ATOM 583 O PHE A 546 19.126 -1.074 -1.209 1.00 0.77 O ATOM 584 CB PHE A 546 15.999 -2.425 -1.140 1.00 0.54 C ATOM 585 CG PHE A 546 16.392 -2.574 -2.583 1.00 0.68 C ATOM 586 CD1 PHE A 546 17.201 -3.619 -3.001 1.00 1.26 C ATOM 587 CD2 PHE A 546 15.928 -1.670 -3.525 1.00 0.93 C ATOM 588 CE1 PHE A 546 17.537 -3.757 -4.334 1.00 1.38 C ATOM 589 CE2 PHE A 546 16.263 -1.800 -4.853 1.00 1.03 C ATOM 590 CZ PHE A 546 17.069 -2.844 -5.261 1.00 0.99 C ATOM 0 H PHE A 546 15.315 -1.041 0.717 1.00 0.42 H new ATOM 0 HA PHE A 546 17.695 -2.515 0.186 1.00 0.53 H new ATOM 0 HB2 PHE A 546 15.779 -3.415 -0.739 1.00 0.54 H new ATOM 0 HB3 PHE A 546 15.074 -1.850 -1.093 1.00 0.54 H new ATOM 0 HD1 PHE A 546 17.572 -4.331 -2.279 1.00 1.26 H new ATOM 0 HD2 PHE A 546 15.295 -0.853 -3.213 1.00 0.93 H new ATOM 0 HE1 PHE A 546 18.164 -4.577 -4.652 1.00 1.38 H new ATOM 0 HE2 PHE A 546 15.896 -1.086 -5.576 1.00 1.03 H new ATOM 0 HZ PHE A 546 17.334 -2.947 -6.303 1.00 0.99 H new ATOM 600 N LEU A 547 17.404 0.357 -1.406 1.00 0.53 N ATOM 601 CA LEU A 547 18.183 1.350 -2.134 1.00 0.64 C ATOM 602 C LEU A 547 19.298 1.910 -1.258 1.00 0.74 C ATOM 603 O LEU A 547 20.409 2.159 -1.735 1.00 0.89 O ATOM 604 CB LEU A 547 17.273 2.466 -2.678 1.00 0.59 C ATOM 605 CG LEU A 547 16.693 3.456 -1.658 1.00 0.50 C ATOM 606 CD1 LEU A 547 17.633 4.635 -1.442 1.00 0.66 C ATOM 607 CD2 LEU A 547 15.328 3.947 -2.116 1.00 0.46 C ATOM 0 H LEU A 547 16.431 0.617 -1.245 1.00 0.53 H new ATOM 0 HA LEU A 547 18.651 0.863 -2.989 1.00 0.64 H new ATOM 0 HB2 LEU A 547 17.839 3.034 -3.416 1.00 0.59 H new ATOM 0 HB3 LEU A 547 16.442 1.998 -3.205 1.00 0.59 H new ATOM 0 HG LEU A 547 16.580 2.935 -0.707 1.00 0.50 H new ATOM 0 HD11 LEU A 547 17.197 5.320 -0.715 1.00 0.66 H new ATOM 0 HD12 LEU A 547 18.591 4.273 -1.070 1.00 0.66 H new ATOM 0 HD13 LEU A 547 17.785 5.157 -2.387 1.00 0.66 H new ATOM 0 HD21 LEU A 547 14.929 4.648 -1.383 1.00 0.46 H new ATOM 0 HD22 LEU A 547 15.426 4.446 -3.080 1.00 0.46 H new ATOM 0 HD23 LEU A 547 14.650 3.099 -2.213 1.00 0.46 H new ATOM 619 N GLU A 548 19.000 2.095 0.023 1.00 0.69 N ATOM 620 CA GLU A 548 20.002 2.546 0.980 1.00 0.85 C ATOM 621 C GLU A 548 21.086 1.490 1.167 1.00 0.97 C ATOM 622 O GLU A 548 22.262 1.819 1.323 1.00 1.12 O ATOM 623 CB GLU A 548 19.365 2.895 2.329 1.00 0.87 C ATOM 624 CG GLU A 548 18.534 4.168 2.299 1.00 0.88 C ATOM 625 CD GLU A 548 18.078 4.599 3.677 1.00 1.55 C ATOM 626 OE1 GLU A 548 18.934 5.014 4.484 1.00 1.98 O ATOM 627 OE2 GLU A 548 16.861 4.546 3.957 1.00 2.23 O ATOM 0 H GLU A 548 18.074 1.940 0.422 1.00 0.69 H new ATOM 0 HA GLU A 548 20.460 3.449 0.576 1.00 0.85 H new ATOM 0 HB2 GLU A 548 18.733 2.066 2.648 1.00 0.87 H new ATOM 0 HB3 GLU A 548 20.152 3.002 3.076 1.00 0.87 H new ATOM 0 HG2 GLU A 548 19.119 4.969 1.847 1.00 0.88 H new ATOM 0 HG3 GLU A 548 17.662 4.013 1.664 1.00 0.88 H new ATOM 634 N ALA A 549 20.688 0.224 1.140 1.00 0.93 N ATOM 635 CA ALA A 549 21.638 -0.876 1.236 1.00 1.09 C ATOM 636 C ALA A 549 22.589 -0.862 0.047 1.00 1.20 C ATOM 637 O ALA A 549 23.787 -1.091 0.200 1.00 1.35 O ATOM 638 CB ALA A 549 20.914 -2.210 1.320 1.00 1.06 C ATOM 0 H ALA A 549 19.714 -0.066 1.052 1.00 0.93 H new ATOM 0 HA ALA A 549 22.219 -0.745 2.149 1.00 1.09 H new ATOM 0 HB1 ALA A 549 21.644 -3.016 1.391 1.00 1.06 H new ATOM 0 HB2 ALA A 549 20.274 -2.222 2.202 1.00 1.06 H new ATOM 0 HB3 ALA A 549 20.304 -2.350 0.427 1.00 1.06 H new ATOM 644 N GLN A 550 22.048 -0.577 -1.136 1.00 1.15 N ATOM 645 CA GLN A 550 22.861 -0.424 -2.341 1.00 1.31 C ATOM 646 C GLN A 550 23.907 0.660 -2.140 1.00 1.43 C ATOM 647 O GLN A 550 25.051 0.531 -2.579 1.00 1.65 O ATOM 648 CB GLN A 550 21.994 -0.047 -3.538 1.00 1.26 C ATOM 649 CG GLN A 550 20.967 -1.091 -3.909 1.00 1.20 C ATOM 650 CD GLN A 550 20.263 -0.750 -5.206 1.00 1.71 C ATOM 651 OE1 GLN A 550 20.066 0.422 -5.527 1.00 2.38 O ATOM 652 NE2 GLN A 550 19.897 -1.764 -5.966 1.00 2.29 N ATOM 0 H GLN A 550 21.047 -0.447 -1.286 1.00 1.15 H new ATOM 0 HA GLN A 550 23.348 -1.380 -2.533 1.00 1.31 H new ATOM 0 HB2 GLN A 550 21.482 0.890 -3.321 1.00 1.26 H new ATOM 0 HB3 GLN A 550 22.639 0.134 -4.398 1.00 1.26 H new ATOM 0 HG2 GLN A 550 21.453 -2.062 -4.004 1.00 1.20 H new ATOM 0 HG3 GLN A 550 20.232 -1.179 -3.109 1.00 1.20 H new ATOM 0 HE21 GLN A 550 20.079 -2.721 -5.663 1.00 2.29 H new ATOM 0 HE22 GLN A 550 19.432 -1.592 -6.857 1.00 2.29 H new ATOM 661 N LYS A 551 23.489 1.732 -1.483 1.00 1.33 N ATOM 662 CA LYS A 551 24.380 2.838 -1.159 1.00 1.50 C ATOM 663 C LYS A 551 25.485 2.367 -0.233 1.00 1.72 C ATOM 664 O LYS A 551 26.655 2.632 -0.477 1.00 2.01 O ATOM 665 CB LYS A 551 23.604 3.976 -0.499 1.00 1.43 C ATOM 666 CG LYS A 551 22.519 4.576 -1.374 1.00 1.36 C ATOM 667 CD LYS A 551 23.108 5.247 -2.600 1.00 1.66 C ATOM 668 CE LYS A 551 22.035 5.932 -3.428 1.00 1.93 C ATOM 669 NZ LYS A 551 22.605 6.604 -4.622 1.00 2.36 N ATOM 0 H LYS A 551 22.530 1.860 -1.161 1.00 1.33 H new ATOM 0 HA LYS A 551 24.822 3.205 -2.085 1.00 1.50 H new ATOM 0 HB2 LYS A 551 23.151 3.607 0.421 1.00 1.43 H new ATOM 0 HB3 LYS A 551 24.304 4.762 -0.216 1.00 1.43 H new ATOM 0 HG2 LYS A 551 21.824 3.795 -1.683 1.00 1.36 H new ATOM 0 HG3 LYS A 551 21.946 5.303 -0.799 1.00 1.36 H new ATOM 0 HD2 LYS A 551 23.855 5.979 -2.292 1.00 1.66 H new ATOM 0 HD3 LYS A 551 23.622 4.505 -3.211 1.00 1.66 H new ATOM 0 HE2 LYS A 551 21.295 5.197 -3.744 1.00 1.93 H new ATOM 0 HE3 LYS A 551 21.514 6.665 -2.813 1.00 1.93 H new ATOM 0 HZ1 LYS A 551 21.842 7.060 -5.161 1.00 2.36 H new ATOM 0 HZ2 LYS A 551 23.293 7.323 -4.320 1.00 2.36 H new ATOM 0 HZ3 LYS A 551 23.081 5.900 -5.222 1.00 2.36 H new ATOM 683 N SER A 552 25.103 1.657 0.820 1.00 1.61 N ATOM 684 CA SER A 552 26.057 1.125 1.780 1.00 1.82 C ATOM 685 C SER A 552 27.057 0.199 1.095 1.00 1.95 C ATOM 686 O SER A 552 28.267 0.351 1.260 1.00 2.23 O ATOM 687 CB SER A 552 25.312 0.387 2.893 1.00 1.69 C ATOM 688 OG SER A 552 24.332 1.231 3.482 1.00 1.76 O ATOM 0 H SER A 552 24.130 1.435 1.031 1.00 1.61 H new ATOM 0 HA SER A 552 26.615 1.953 2.216 1.00 1.82 H new ATOM 0 HB2 SER A 552 24.836 -0.506 2.489 1.00 1.69 H new ATOM 0 HB3 SER A 552 26.019 0.055 3.653 1.00 1.69 H new ATOM 0 HG SER A 552 23.574 1.331 2.868 1.00 1.76 H new ATOM 694 N GLU A 553 26.548 -0.733 0.299 1.00 1.81 N ATOM 695 CA GLU A 553 27.397 -1.675 -0.421 1.00 2.00 C ATOM 696 C GLU A 553 28.334 -0.942 -1.378 1.00 2.25 C ATOM 697 O GLU A 553 29.504 -1.297 -1.512 1.00 2.55 O ATOM 698 CB GLU A 553 26.537 -2.672 -1.196 1.00 1.88 C ATOM 699 CG GLU A 553 25.625 -3.501 -0.308 1.00 1.75 C ATOM 700 CD GLU A 553 26.375 -4.500 0.547 1.00 1.97 C ATOM 701 OE1 GLU A 553 26.964 -4.094 1.571 1.00 2.46 O ATOM 702 OE2 GLU A 553 26.362 -5.701 0.206 1.00 1.91 O ATOM 0 H GLU A 553 25.549 -0.857 0.135 1.00 1.81 H new ATOM 0 HA GLU A 553 28.002 -2.214 0.308 1.00 2.00 H new ATOM 0 HB2 GLU A 553 25.930 -2.130 -1.922 1.00 1.88 H new ATOM 0 HB3 GLU A 553 27.188 -3.340 -1.760 1.00 1.88 H new ATOM 0 HG2 GLU A 553 25.054 -2.835 0.339 1.00 1.75 H new ATOM 0 HG3 GLU A 553 24.906 -4.033 -0.932 1.00 1.75 H new ATOM 709 N GLY A 554 27.810 0.088 -2.032 1.00 2.16 N ATOM 710 CA GLY A 554 28.591 0.838 -2.996 1.00 2.43 C ATOM 711 C GLY A 554 29.594 1.769 -2.345 1.00 2.68 C ATOM 712 O GLY A 554 30.719 1.915 -2.827 1.00 2.98 O ATOM 0 H GLY A 554 26.853 0.418 -1.910 1.00 2.16 H new ATOM 0 HA2 GLY A 554 29.119 0.142 -3.649 1.00 2.43 H new ATOM 0 HA3 GLY A 554 27.919 1.420 -3.627 1.00 2.43 H new ATOM 716 N LYS A 555 29.192 2.411 -1.254 1.00 2.59 N ATOM 717 CA LYS A 555 30.072 3.327 -0.538 1.00 2.88 C ATOM 718 C LYS A 555 31.141 2.555 0.235 1.00 3.09 C ATOM 719 O LYS A 555 32.173 3.114 0.606 1.00 3.44 O ATOM 720 CB LYS A 555 29.268 4.212 0.424 1.00 2.82 C ATOM 721 CG LYS A 555 28.768 3.479 1.657 1.00 2.71 C ATOM 722 CD LYS A 555 27.820 4.331 2.479 1.00 2.71 C ATOM 723 CE LYS A 555 27.408 3.619 3.756 1.00 2.99 C ATOM 724 NZ LYS A 555 26.367 4.371 4.500 1.00 3.58 N ATOM 0 H LYS A 555 28.262 2.314 -0.846 1.00 2.59 H new ATOM 0 HA LYS A 555 30.563 3.965 -1.273 1.00 2.88 H new ATOM 0 HB2 LYS A 555 29.890 5.050 0.738 1.00 2.82 H new ATOM 0 HB3 LYS A 555 28.415 4.631 -0.109 1.00 2.82 H new ATOM 0 HG2 LYS A 555 28.261 2.563 1.354 1.00 2.71 H new ATOM 0 HG3 LYS A 555 29.618 3.184 2.273 1.00 2.71 H new ATOM 0 HD2 LYS A 555 28.300 5.278 2.726 1.00 2.71 H new ATOM 0 HD3 LYS A 555 26.934 4.567 1.889 1.00 2.71 H new ATOM 0 HE2 LYS A 555 27.033 2.625 3.512 1.00 2.99 H new ATOM 0 HE3 LYS A 555 28.282 3.482 4.393 1.00 2.99 H new ATOM 0 HZ1 LYS A 555 26.114 3.851 5.364 1.00 3.58 H new ATOM 0 HZ2 LYS A 555 26.733 5.310 4.756 1.00 3.58 H new ATOM 0 HZ3 LYS A 555 25.523 4.479 3.902 1.00 3.58 H new ATOM 738 N SER A 556 30.881 1.274 0.479 1.00 2.91 N ATOM 739 CA SER A 556 31.823 0.424 1.191 1.00 3.12 C ATOM 740 C SER A 556 32.997 0.063 0.287 1.00 3.40 C ATOM 741 O SER A 556 33.006 -0.986 -0.362 1.00 3.67 O ATOM 742 CB SER A 556 31.134 -0.846 1.706 1.00 2.84 C ATOM 743 OG SER A 556 31.998 -1.598 2.545 1.00 3.07 O ATOM 0 H SER A 556 30.023 0.803 0.192 1.00 2.91 H new ATOM 0 HA SER A 556 32.200 0.978 2.051 1.00 3.12 H new ATOM 0 HB2 SER A 556 30.233 -0.576 2.257 1.00 2.84 H new ATOM 0 HB3 SER A 556 30.819 -1.459 0.862 1.00 2.84 H new ATOM 0 HG SER A 556 31.532 -2.401 2.859 1.00 3.07 H new ATOM 749 N LEU A 557 33.962 0.967 0.230 1.00 3.70 N ATOM 750 CA LEU A 557 35.185 0.764 -0.523 1.00 4.05 C ATOM 751 C LEU A 557 36.171 1.866 -0.163 1.00 4.48 C ATOM 752 O LEU A 557 36.860 1.731 0.868 1.00 4.98 O ATOM 753 CB LEU A 557 34.908 0.766 -2.033 1.00 4.73 C ATOM 754 CG LEU A 557 36.110 0.417 -2.913 1.00 5.04 C ATOM 755 CD1 LEU A 557 36.626 -0.975 -2.586 1.00 5.74 C ATOM 756 CD2 LEU A 557 35.738 0.517 -4.384 1.00 5.35 C ATOM 757 OXT LEU A 557 36.217 2.890 -0.878 1.00 4.73 O ATOM 0 H LEU A 557 33.917 1.867 0.708 1.00 3.70 H new ATOM 0 HA LEU A 557 35.607 -0.208 -0.267 1.00 4.05 H new ATOM 0 HB2 LEU A 557 34.107 0.057 -2.241 1.00 4.73 H new ATOM 0 HB3 LEU A 557 34.542 1.752 -2.318 1.00 4.73 H new ATOM 0 HG LEU A 557 36.906 1.133 -2.709 1.00 5.04 H new ATOM 0 HD11 LEU A 557 37.481 -1.205 -3.222 1.00 5.74 H new ATOM 0 HD12 LEU A 557 36.931 -1.014 -1.540 1.00 5.74 H new ATOM 0 HD13 LEU A 557 35.837 -1.706 -2.761 1.00 5.74 H new ATOM 0 HD21 LEU A 557 36.604 0.266 -4.996 1.00 5.35 H new ATOM 0 HD22 LEU A 557 34.926 -0.177 -4.602 1.00 5.35 H new ATOM 0 HD23 LEU A 557 35.417 1.534 -4.610 1.00 5.35 H new TER 769 LEU A 557