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 Set 1.1: A 552 SER OG : rot 91:sc= 1.27 USER MOD Set 1.2: A 555 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 541 ASN : amide:sc= 0.549 K(o=1.1,f=-0.63) USER MOD Set 2.2: A 545 GLN : amide:sc= 0.6 K(o=1.1,f=-0.58) USER MOD Single : A 511 SER OG : rot 180:sc= 0 USER MOD Single : A 514 THR OG1 : rot 61:sc= 1.19 USER MOD Single : A 515 CYS SG : rot 180:sc= -1.25 USER MOD Single : A 516 MET CE :methyl -140:sc= -0.244 (180deg=-0.814) USER MOD Single : A 517 SER OG : rot 75:sc= 0.358 USER MOD Single : A 520 SER OG : rot -83:sc= 1.16 USER MOD Single : A 521 GLN : amide:sc= -1.14 K(o=-1.1,f=0) USER MOD Single : A 524 LYS NZ :NH3+ -171:sc= -0.0191 (180deg=-0.167) 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= -1.34! K(o=-1.3!,f=-0.032) USER MOD Single : A 530 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0386) USER MOD Single : A 532 GLN : amide:sc= -1.08 K(o=-1.1,f=-0.02) USER MOD Single : A 533 THR OG1 : rot 96:sc= 1.3 USER MOD Single : A 538 THR OG1 : rot 105:sc= 1.21 USER MOD Single : A 540 GLN : amide:sc= -0.0704 K(o=-0.07,f=-0.62) USER MOD Single : A 542 GLN : amide:sc= -0.132 K(o=-0.13,f=-2.7!) USER MOD Single : A 544 GLN : amide:sc= -0.721 K(o=-0.72,f=0) USER MOD Single : A 550 GLN : amide:sc= -0.884 K(o=-0.88,f=-0.039) USER MOD Single : A 551 LYS NZ :NH3+ 172:sc= 0.919 (180deg=0.624) USER MOD Single : A 556 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 510 -34.027 7.566 11.100 1.00 9.10 N ATOM 2 CA GLY A 510 -34.143 6.825 9.820 1.00 8.55 C ATOM 3 C GLY A 510 -32.909 6.991 8.962 1.00 7.83 C ATOM 4 O GLY A 510 -31.914 7.554 9.419 1.00 8.04 O ATOM 0 HA2 GLY A 510 -34.303 5.767 10.026 1.00 8.55 H new ATOM 0 HA3 GLY A 510 -35.017 7.179 9.273 1.00 8.55 H new ATOM 10 N SER A 511 -32.972 6.481 7.730 1.00 7.22 N ATOM 11 CA SER A 511 -31.901 6.623 6.734 1.00 6.73 C ATOM 12 C SER A 511 -30.685 5.746 7.057 1.00 6.19 C ATOM 13 O SER A 511 -29.972 5.312 6.149 1.00 5.90 O ATOM 14 CB SER A 511 -31.481 8.094 6.590 1.00 6.95 C ATOM 15 OG SER A 511 -30.557 8.267 5.529 1.00 7.47 O ATOM 0 H SER A 511 -33.775 5.952 7.390 1.00 7.22 H new ATOM 0 HA SER A 511 -32.305 6.277 5.783 1.00 6.73 H new ATOM 0 HB2 SER A 511 -32.362 8.710 6.411 1.00 6.95 H new ATOM 0 HB3 SER A 511 -31.035 8.440 7.523 1.00 6.95 H new ATOM 0 HG SER A 511 -30.310 9.213 5.461 1.00 7.47 H new ATOM 21 N VAL A 512 -30.460 5.478 8.341 1.00 6.20 N ATOM 22 CA VAL A 512 -29.300 4.713 8.784 1.00 5.78 C ATOM 23 C VAL A 512 -29.239 3.335 8.126 1.00 5.49 C ATOM 24 O VAL A 512 -28.186 2.922 7.654 1.00 5.11 O ATOM 25 CB VAL A 512 -29.267 4.565 10.325 1.00 6.06 C ATOM 26 CG1 VAL A 512 -30.569 3.982 10.852 1.00 5.88 C ATOM 27 CG2 VAL A 512 -28.085 3.712 10.762 1.00 6.40 C ATOM 0 H VAL A 512 -31.072 5.783 9.098 1.00 6.20 H new ATOM 0 HA VAL A 512 -28.422 5.278 8.472 1.00 5.78 H new ATOM 0 HB VAL A 512 -29.149 5.562 10.750 1.00 6.06 H new ATOM 0 HG11 VAL A 512 -30.514 3.891 11.937 1.00 5.88 H new ATOM 0 HG12 VAL A 512 -31.396 4.639 10.585 1.00 5.88 H new ATOM 0 HG13 VAL A 512 -30.731 2.998 10.413 1.00 5.88 H new ATOM 0 HG21 VAL A 512 -28.083 3.622 11.848 1.00 6.40 H new ATOM 0 HG22 VAL A 512 -28.167 2.721 10.316 1.00 6.40 H new ATOM 0 HG23 VAL A 512 -27.157 4.181 10.435 1.00 6.40 H new ATOM 37 N GLU A 513 -30.371 2.645 8.065 1.00 5.73 N ATOM 38 CA GLU A 513 -30.410 1.292 7.518 1.00 5.58 C ATOM 39 C GLU A 513 -30.058 1.292 6.032 1.00 5.26 C ATOM 40 O GLU A 513 -29.378 0.392 5.546 1.00 4.95 O ATOM 41 CB GLU A 513 -31.777 0.635 7.758 1.00 6.03 C ATOM 42 CG GLU A 513 -32.945 1.233 6.972 1.00 6.54 C ATOM 43 CD GLU A 513 -33.127 2.718 7.207 1.00 7.02 C ATOM 44 OE1 GLU A 513 -33.431 3.112 8.350 1.00 7.40 O ATOM 45 OE2 GLU A 513 -32.938 3.498 6.250 1.00 7.27 O ATOM 0 H GLU A 513 -31.273 2.998 8.386 1.00 5.73 H new ATOM 0 HA GLU A 513 -29.659 0.700 8.042 1.00 5.58 H new ATOM 0 HB2 GLU A 513 -31.700 -0.424 7.510 1.00 6.03 H new ATOM 0 HB3 GLU A 513 -32.008 0.697 8.821 1.00 6.03 H new ATOM 0 HG2 GLU A 513 -32.786 1.057 5.908 1.00 6.54 H new ATOM 0 HG3 GLU A 513 -33.863 0.713 7.247 1.00 6.54 H new ATOM 52 N THR A 514 -30.507 2.320 5.327 1.00 5.38 N ATOM 53 CA THR A 514 -30.243 2.459 3.914 1.00 5.15 C ATOM 54 C THR A 514 -28.801 2.892 3.669 1.00 4.74 C ATOM 55 O THR A 514 -28.089 2.305 2.849 1.00 4.68 O ATOM 56 CB THR A 514 -31.203 3.494 3.302 1.00 5.39 C ATOM 57 OG1 THR A 514 -32.558 3.147 3.611 1.00 5.70 O ATOM 58 CG2 THR A 514 -31.021 3.579 1.804 1.00 5.67 C ATOM 0 H THR A 514 -31.063 3.077 5.724 1.00 5.38 H new ATOM 0 HA THR A 514 -30.399 1.490 3.441 1.00 5.15 H new ATOM 0 HB THR A 514 -30.974 4.469 3.731 1.00 5.39 H new ATOM 0 HG1 THR A 514 -32.681 3.144 4.583 1.00 5.70 H new ATOM 0 HG21 THR A 514 -31.711 4.317 1.395 1.00 5.67 H new ATOM 0 HG22 THR A 514 -29.997 3.875 1.578 1.00 5.67 H new ATOM 0 HG23 THR A 514 -31.224 2.606 1.357 1.00 5.67 H new ATOM 66 N CYS A 515 -28.371 3.909 4.404 1.00 4.56 N ATOM 67 CA CYS A 515 -27.042 4.472 4.231 1.00 4.21 C ATOM 68 C CYS A 515 -25.970 3.493 4.699 1.00 3.93 C ATOM 69 O CYS A 515 -24.899 3.421 4.113 1.00 3.56 O ATOM 70 CB CYS A 515 -26.921 5.802 4.981 1.00 4.40 C ATOM 71 SG CYS A 515 -25.351 6.660 4.730 1.00 4.96 S ATOM 0 H CYS A 515 -28.928 4.362 5.129 1.00 4.56 H new ATOM 0 HA CYS A 515 -26.888 4.659 3.168 1.00 4.21 H new ATOM 0 HB2 CYS A 515 -27.733 6.457 4.667 1.00 4.40 H new ATOM 0 HB3 CYS A 515 -27.054 5.617 6.047 1.00 4.40 H new ATOM 0 HG CYS A 515 -25.351 7.772 5.404 1.00 4.96 H new ATOM 77 N MET A 516 -26.266 2.721 5.738 1.00 4.13 N ATOM 78 CA MET A 516 -25.315 1.740 6.250 1.00 3.95 C ATOM 79 C MET A 516 -24.955 0.725 5.172 1.00 3.70 C ATOM 80 O MET A 516 -23.817 0.267 5.099 1.00 3.40 O ATOM 81 CB MET A 516 -25.880 1.029 7.485 1.00 4.28 C ATOM 82 CG MET A 516 -24.962 -0.043 8.054 1.00 4.27 C ATOM 83 SD MET A 516 -25.621 -0.800 9.557 1.00 4.83 S ATOM 84 CE MET A 516 -25.672 0.615 10.657 1.00 5.80 C ATOM 0 H MET A 516 -27.153 2.754 6.241 1.00 4.13 H new ATOM 0 HA MET A 516 -24.408 2.269 6.542 1.00 3.95 H new ATOM 0 HB2 MET A 516 -26.080 1.770 8.259 1.00 4.28 H new ATOM 0 HB3 MET A 516 -26.836 0.574 7.225 1.00 4.28 H new ATOM 0 HG2 MET A 516 -24.803 -0.816 7.302 1.00 4.27 H new ATOM 0 HG3 MET A 516 -23.988 0.396 8.270 1.00 4.27 H new ATOM 0 HE1 MET A 516 -25.356 0.312 11.655 1.00 5.80 H new ATOM 0 HE2 MET A 516 -25.002 1.390 10.284 1.00 5.80 H new ATOM 0 HE3 MET A 516 -26.689 1.005 10.701 1.00 5.80 H new ATOM 94 N SER A 517 -25.919 0.397 4.324 1.00 3.87 N ATOM 95 CA SER A 517 -25.689 -0.552 3.248 1.00 3.73 C ATOM 96 C SER A 517 -24.764 0.043 2.182 1.00 3.38 C ATOM 97 O SER A 517 -23.771 -0.575 1.788 1.00 3.11 O ATOM 98 CB SER A 517 -27.025 -0.951 2.624 1.00 4.09 C ATOM 99 OG SER A 517 -27.939 -1.395 3.615 1.00 4.52 O ATOM 0 H SER A 517 -26.866 0.774 4.361 1.00 3.87 H new ATOM 0 HA SER A 517 -25.203 -1.436 3.660 1.00 3.73 H new ATOM 0 HB2 SER A 517 -27.448 -0.101 2.089 1.00 4.09 H new ATOM 0 HB3 SER A 517 -26.866 -1.742 1.891 1.00 4.09 H new ATOM 0 HG SER A 517 -28.286 -0.623 4.109 1.00 4.52 H new ATOM 105 N LEU A 518 -25.071 1.255 1.738 1.00 3.41 N ATOM 106 CA LEU A 518 -24.253 1.913 0.730 1.00 3.15 C ATOM 107 C LEU A 518 -22.876 2.277 1.278 1.00 2.83 C ATOM 108 O LEU A 518 -21.861 2.098 0.605 1.00 2.54 O ATOM 109 CB LEU A 518 -24.967 3.138 0.131 1.00 3.32 C ATOM 110 CG LEU A 518 -25.622 4.125 1.106 1.00 3.52 C ATOM 111 CD1 LEU A 518 -24.636 5.189 1.568 1.00 3.34 C ATOM 112 CD2 LEU A 518 -26.836 4.774 0.461 1.00 3.86 C ATOM 0 H LEU A 518 -25.873 1.798 2.057 1.00 3.41 H new ATOM 0 HA LEU A 518 -24.102 1.200 -0.081 1.00 3.15 H new ATOM 0 HB2 LEU A 518 -24.243 3.689 -0.469 1.00 3.32 H new ATOM 0 HB3 LEU A 518 -25.737 2.778 -0.551 1.00 3.32 H new ATOM 0 HG LEU A 518 -25.943 3.565 1.984 1.00 3.52 H new ATOM 0 HD11 LEU A 518 -25.133 5.871 2.257 1.00 3.34 H new ATOM 0 HD12 LEU A 518 -23.796 4.712 2.073 1.00 3.34 H new ATOM 0 HD13 LEU A 518 -24.272 5.747 0.705 1.00 3.34 H new ATOM 0 HD21 LEU A 518 -27.292 5.472 1.163 1.00 3.86 H new ATOM 0 HD22 LEU A 518 -26.528 5.311 -0.436 1.00 3.86 H new ATOM 0 HD23 LEU A 518 -27.560 4.005 0.193 1.00 3.86 H new ATOM 124 N ALA A 519 -22.854 2.763 2.510 1.00 2.92 N ATOM 125 CA ALA A 519 -21.617 3.168 3.162 1.00 2.71 C ATOM 126 C ALA A 519 -20.690 1.982 3.382 1.00 2.50 C ATOM 127 O ALA A 519 -19.485 2.096 3.186 1.00 2.24 O ATOM 128 CB ALA A 519 -21.914 3.860 4.484 1.00 2.96 C ATOM 0 H ALA A 519 -23.688 2.887 3.084 1.00 2.92 H new ATOM 0 HA ALA A 519 -21.109 3.871 2.502 1.00 2.71 H new ATOM 0 HB1 ALA A 519 -20.978 4.156 4.958 1.00 2.96 H new ATOM 0 HB2 ALA A 519 -22.525 4.744 4.303 1.00 2.96 H new ATOM 0 HB3 ALA A 519 -22.452 3.176 5.140 1.00 2.96 H new ATOM 134 N SER A 520 -21.245 0.839 3.775 1.00 2.66 N ATOM 135 CA SER A 520 -20.421 -0.338 4.019 1.00 2.54 C ATOM 136 C SER A 520 -19.787 -0.829 2.722 1.00 2.31 C ATOM 137 O SER A 520 -18.638 -1.263 2.721 1.00 2.10 O ATOM 138 CB SER A 520 -21.225 -1.453 4.689 1.00 2.83 C ATOM 139 OG SER A 520 -22.399 -1.758 3.959 1.00 2.98 O ATOM 0 H SER A 520 -22.244 0.704 3.929 1.00 2.66 H new ATOM 0 HA SER A 520 -19.623 -0.050 4.704 1.00 2.54 H new ATOM 0 HB2 SER A 520 -20.607 -2.347 4.776 1.00 2.83 H new ATOM 0 HB3 SER A 520 -21.493 -1.151 5.702 1.00 2.83 H new ATOM 0 HG SER A 520 -23.110 -1.130 4.205 1.00 2.98 H new ATOM 145 N GLN A 521 -20.522 -0.740 1.614 1.00 2.40 N ATOM 146 CA GLN A 521 -19.956 -1.084 0.312 1.00 2.26 C ATOM 147 C GLN A 521 -18.788 -0.156 -0.013 1.00 1.95 C ATOM 148 O GLN A 521 -17.728 -0.607 -0.447 1.00 1.75 O ATOM 149 CB GLN A 521 -21.014 -1.018 -0.787 1.00 2.49 C ATOM 150 CG GLN A 521 -22.120 -2.042 -0.614 1.00 2.84 C ATOM 151 CD GLN A 521 -23.128 -2.028 -1.743 1.00 3.23 C ATOM 152 OE1 GLN A 521 -24.302 -2.338 -1.543 1.00 3.85 O ATOM 153 NE2 GLN A 521 -22.682 -1.674 -2.938 1.00 3.40 N ATOM 0 H GLN A 521 -21.496 -0.437 1.591 1.00 2.40 H new ATOM 0 HA GLN A 521 -19.591 -2.110 0.360 1.00 2.26 H new ATOM 0 HB2 GLN A 521 -21.451 -0.020 -0.802 1.00 2.49 H new ATOM 0 HB3 GLN A 521 -20.534 -1.171 -1.754 1.00 2.49 H new ATOM 0 HG2 GLN A 521 -21.678 -3.036 -0.543 1.00 2.84 H new ATOM 0 HG3 GLN A 521 -22.636 -1.854 0.328 1.00 2.84 H new ATOM 0 HE21 GLN A 521 -21.701 -1.424 -3.063 1.00 3.40 H new ATOM 0 HE22 GLN A 521 -23.319 -1.651 -3.734 1.00 3.40 H new ATOM 162 N VAL A 522 -18.976 1.138 0.229 1.00 1.94 N ATOM 163 CA VAL A 522 -17.896 2.111 0.087 1.00 1.71 C ATOM 164 C VAL A 522 -16.735 1.743 1.011 1.00 1.52 C ATOM 165 O VAL A 522 -15.566 1.858 0.639 1.00 1.28 O ATOM 166 CB VAL A 522 -18.376 3.546 0.400 1.00 1.86 C ATOM 167 CG1 VAL A 522 -17.233 4.544 0.276 1.00 1.69 C ATOM 168 CG2 VAL A 522 -19.524 3.935 -0.521 1.00 2.07 C ATOM 0 H VAL A 522 -19.867 1.538 0.525 1.00 1.94 H new ATOM 0 HA VAL A 522 -17.563 2.086 -0.950 1.00 1.71 H new ATOM 0 HB VAL A 522 -18.732 3.566 1.430 1.00 1.86 H new ATOM 0 HG11 VAL A 522 -17.599 5.546 0.502 1.00 1.69 H new ATOM 0 HG12 VAL A 522 -16.442 4.280 0.978 1.00 1.69 H new ATOM 0 HG13 VAL A 522 -16.839 4.522 -0.740 1.00 1.69 H new ATOM 0 HG21 VAL A 522 -19.850 4.948 -0.287 1.00 2.07 H new ATOM 0 HG22 VAL A 522 -19.190 3.891 -1.558 1.00 2.07 H new ATOM 0 HG23 VAL A 522 -20.355 3.244 -0.378 1.00 2.07 H new ATOM 178 N VAL A 523 -17.078 1.290 2.212 1.00 1.66 N ATOM 179 CA VAL A 523 -16.103 0.862 3.195 1.00 1.58 C ATOM 180 C VAL A 523 -15.272 -0.313 2.673 1.00 1.41 C ATOM 181 O VAL A 523 -14.061 -0.358 2.884 1.00 1.24 O ATOM 182 CB VAL A 523 -16.803 0.495 4.527 1.00 1.85 C ATOM 183 CG1 VAL A 523 -15.989 -0.499 5.328 1.00 1.86 C ATOM 184 CG2 VAL A 523 -17.072 1.745 5.351 1.00 1.98 C ATOM 0 H VAL A 523 -18.045 1.211 2.527 1.00 1.66 H new ATOM 0 HA VAL A 523 -15.422 1.692 3.381 1.00 1.58 H new ATOM 0 HB VAL A 523 -17.755 0.024 4.280 1.00 1.85 H new ATOM 0 HG11 VAL A 523 -16.511 -0.733 6.256 1.00 1.86 H new ATOM 0 HG12 VAL A 523 -15.855 -1.411 4.747 1.00 1.86 H new ATOM 0 HG13 VAL A 523 -15.014 -0.069 5.559 1.00 1.86 H new ATOM 0 HG21 VAL A 523 -17.564 1.467 6.283 1.00 1.98 H new ATOM 0 HG22 VAL A 523 -16.129 2.244 5.573 1.00 1.98 H new ATOM 0 HG23 VAL A 523 -17.716 2.420 4.788 1.00 1.98 H new ATOM 194 N LYS A 524 -15.912 -1.244 1.974 1.00 1.52 N ATOM 195 CA LYS A 524 -15.191 -2.354 1.358 1.00 1.44 C ATOM 196 C LYS A 524 -14.162 -1.837 0.360 1.00 1.21 C ATOM 197 O LYS A 524 -13.015 -2.281 0.354 1.00 1.07 O ATOM 198 CB LYS A 524 -16.150 -3.315 0.655 1.00 1.69 C ATOM 199 CG LYS A 524 -16.629 -4.463 1.528 1.00 1.91 C ATOM 200 CD LYS A 524 -17.652 -4.003 2.546 1.00 2.09 C ATOM 201 CE LYS A 524 -18.026 -5.114 3.512 1.00 2.33 C ATOM 202 NZ LYS A 524 -18.557 -6.310 2.805 1.00 2.48 N ATOM 0 H LYS A 524 -16.920 -1.254 1.820 1.00 1.52 H new ATOM 0 HA LYS A 524 -14.679 -2.895 2.154 1.00 1.44 H new ATOM 0 HB2 LYS A 524 -17.016 -2.754 0.303 1.00 1.69 H new ATOM 0 HB3 LYS A 524 -15.656 -3.724 -0.226 1.00 1.69 H new ATOM 0 HG2 LYS A 524 -17.064 -5.241 0.900 1.00 1.91 H new ATOM 0 HG3 LYS A 524 -15.778 -4.908 2.043 1.00 1.91 H new ATOM 0 HD2 LYS A 524 -17.254 -3.155 3.104 1.00 2.09 H new ATOM 0 HD3 LYS A 524 -18.546 -3.654 2.030 1.00 2.09 H new ATOM 0 HE2 LYS A 524 -17.150 -5.397 4.096 1.00 2.33 H new ATOM 0 HE3 LYS A 524 -18.773 -4.747 4.215 1.00 2.33 H new ATOM 0 HZ1 LYS A 524 -18.941 -6.982 3.500 1.00 2.48 H new ATOM 0 HZ2 LYS A 524 -19.311 -6.020 2.151 1.00 2.48 H new ATOM 0 HZ3 LYS A 524 -17.791 -6.766 2.270 1.00 2.48 H new ATOM 216 N LEU A 525 -14.569 -0.879 -0.469 1.00 1.21 N ATOM 217 CA LEU A 525 -13.667 -0.307 -1.464 1.00 1.06 C ATOM 218 C LEU A 525 -12.523 0.446 -0.802 1.00 0.82 C ATOM 219 O LEU A 525 -11.359 0.240 -1.144 1.00 0.67 O ATOM 220 CB LEU A 525 -14.409 0.627 -2.428 1.00 1.19 C ATOM 221 CG LEU A 525 -15.130 -0.063 -3.589 1.00 1.42 C ATOM 222 CD1 LEU A 525 -16.346 -0.825 -3.100 1.00 1.62 C ATOM 223 CD2 LEU A 525 -15.530 0.955 -4.644 1.00 1.56 C ATOM 0 H LEU A 525 -15.510 -0.485 -0.472 1.00 1.21 H new ATOM 0 HA LEU A 525 -13.258 -1.140 -2.035 1.00 1.06 H new ATOM 0 HB2 LEU A 525 -15.140 1.202 -1.859 1.00 1.19 H new ATOM 0 HB3 LEU A 525 -13.694 1.339 -2.839 1.00 1.19 H new ATOM 0 HG LEU A 525 -14.441 -0.779 -4.037 1.00 1.42 H new ATOM 0 HD11 LEU A 525 -16.839 -1.305 -3.945 1.00 1.62 H new ATOM 0 HD12 LEU A 525 -16.035 -1.584 -2.382 1.00 1.62 H new ATOM 0 HD13 LEU A 525 -17.039 -0.134 -2.620 1.00 1.62 H new ATOM 0 HD21 LEU A 525 -16.041 0.449 -5.463 1.00 1.56 H new ATOM 0 HD22 LEU A 525 -16.197 1.695 -4.201 1.00 1.56 H new ATOM 0 HD23 LEU A 525 -14.639 1.453 -5.026 1.00 1.56 H new ATOM 235 N THR A 526 -12.852 1.302 0.158 1.00 0.84 N ATOM 236 CA THR A 526 -11.836 2.106 0.826 1.00 0.73 C ATOM 237 C THR A 526 -10.890 1.213 1.633 1.00 0.62 C ATOM 238 O THR A 526 -9.699 1.500 1.745 1.00 0.52 O ATOM 239 CB THR A 526 -12.457 3.207 1.727 1.00 0.91 C ATOM 240 OG1 THR A 526 -11.448 4.142 2.131 1.00 1.14 O ATOM 241 CG2 THR A 526 -13.118 2.624 2.966 1.00 1.40 C ATOM 0 H THR A 526 -13.804 1.457 0.489 1.00 0.84 H new ATOM 0 HA THR A 526 -11.264 2.615 0.050 1.00 0.73 H new ATOM 0 HB THR A 526 -13.222 3.711 1.137 1.00 0.91 H new ATOM 0 HG1 THR A 526 -11.850 4.833 2.698 1.00 1.14 H new ATOM 0 HG21 THR A 526 -13.539 3.430 3.567 1.00 1.40 H new ATOM 0 HG22 THR A 526 -13.913 1.941 2.667 1.00 1.40 H new ATOM 0 HG23 THR A 526 -12.376 2.082 3.553 1.00 1.40 H new ATOM 249 N LYS A 527 -11.421 0.117 2.172 1.00 0.72 N ATOM 250 CA LYS A 527 -10.610 -0.847 2.900 1.00 0.71 C ATOM 251 C LYS A 527 -9.574 -1.474 1.978 1.00 0.55 C ATOM 252 O LYS A 527 -8.387 -1.518 2.304 1.00 0.47 O ATOM 253 CB LYS A 527 -11.497 -1.935 3.516 1.00 0.91 C ATOM 254 CG LYS A 527 -10.728 -3.030 4.242 1.00 1.04 C ATOM 255 CD LYS A 527 -9.925 -2.476 5.407 1.00 1.12 C ATOM 256 CE LYS A 527 -10.818 -1.854 6.470 1.00 1.24 C ATOM 257 NZ LYS A 527 -10.021 -1.226 7.555 1.00 1.60 N ATOM 0 H LYS A 527 -12.411 -0.122 2.116 1.00 0.72 H new ATOM 0 HA LYS A 527 -10.091 -0.324 3.703 1.00 0.71 H new ATOM 0 HB2 LYS A 527 -12.191 -1.469 4.215 1.00 0.91 H new ATOM 0 HB3 LYS A 527 -12.096 -2.389 2.727 1.00 0.91 H new ATOM 0 HG2 LYS A 527 -11.426 -3.784 4.607 1.00 1.04 H new ATOM 0 HG3 LYS A 527 -10.057 -3.529 3.542 1.00 1.04 H new ATOM 0 HD2 LYS A 527 -9.334 -3.276 5.853 1.00 1.12 H new ATOM 0 HD3 LYS A 527 -9.223 -1.727 5.040 1.00 1.12 H new ATOM 0 HE2 LYS A 527 -11.463 -1.105 6.011 1.00 1.24 H new ATOM 0 HE3 LYS A 527 -11.469 -2.619 6.892 1.00 1.24 H new ATOM 0 HZ1 LYS A 527 -10.662 -0.812 8.262 1.00 1.60 H new ATOM 0 HZ2 LYS A 527 -9.424 -1.947 8.009 1.00 1.60 H new ATOM 0 HZ3 LYS A 527 -9.418 -0.479 7.155 1.00 1.60 H new ATOM 271 N GLN A 528 -10.025 -1.927 0.812 1.00 0.59 N ATOM 272 CA GLN A 528 -9.135 -2.548 -0.162 1.00 0.55 C ATOM 273 C GLN A 528 -8.116 -1.541 -0.684 1.00 0.40 C ATOM 274 O GLN A 528 -6.954 -1.884 -0.909 1.00 0.37 O ATOM 275 CB GLN A 528 -9.932 -3.149 -1.324 1.00 0.75 C ATOM 276 CG GLN A 528 -10.893 -4.249 -0.899 1.00 1.38 C ATOM 277 CD GLN A 528 -11.559 -4.931 -2.080 1.00 1.87 C ATOM 278 OE1 GLN A 528 -12.697 -5.392 -1.991 1.00 2.56 O ATOM 279 NE2 GLN A 528 -10.854 -4.996 -3.199 1.00 2.33 N ATOM 0 H GLN A 528 -11.001 -1.876 0.519 1.00 0.59 H new ATOM 0 HA GLN A 528 -8.599 -3.353 0.340 1.00 0.55 H new ATOM 0 HB2 GLN A 528 -10.495 -2.356 -1.816 1.00 0.75 H new ATOM 0 HB3 GLN A 528 -9.237 -3.550 -2.061 1.00 0.75 H new ATOM 0 HG2 GLN A 528 -10.352 -4.992 -0.313 1.00 1.38 H new ATOM 0 HG3 GLN A 528 -11.659 -3.826 -0.249 1.00 1.38 H new ATOM 0 HE21 GLN A 528 -9.914 -4.602 -3.233 1.00 2.33 H new ATOM 0 HE22 GLN A 528 -11.251 -5.440 -4.027 1.00 2.33 H new ATOM 288 N LEU A 529 -8.549 -0.298 -0.862 1.00 0.37 N ATOM 289 CA LEU A 529 -7.647 0.770 -1.282 1.00 0.33 C ATOM 290 C LEU A 529 -6.546 0.965 -0.254 1.00 0.22 C ATOM 291 O LEU A 529 -5.368 1.061 -0.594 1.00 0.26 O ATOM 292 CB LEU A 529 -8.415 2.078 -1.444 1.00 0.43 C ATOM 293 CG LEU A 529 -9.431 2.111 -2.578 1.00 0.58 C ATOM 294 CD1 LEU A 529 -10.252 3.381 -2.487 1.00 0.67 C ATOM 295 CD2 LEU A 529 -8.734 2.017 -3.925 1.00 0.69 C ATOM 0 H LEU A 529 -9.516 -0.005 -0.723 1.00 0.37 H new ATOM 0 HA LEU A 529 -7.206 0.487 -2.238 1.00 0.33 H new ATOM 0 HB2 LEU A 529 -8.934 2.291 -0.510 1.00 0.43 H new ATOM 0 HB3 LEU A 529 -7.697 2.883 -1.601 1.00 0.43 H new ATOM 0 HG LEU A 529 -10.096 1.252 -2.485 1.00 0.58 H new ATOM 0 HD11 LEU A 529 -10.979 3.403 -3.299 1.00 0.67 H new ATOM 0 HD12 LEU A 529 -10.775 3.408 -1.531 1.00 0.67 H new ATOM 0 HD13 LEU A 529 -9.594 4.246 -2.565 1.00 0.67 H new ATOM 0 HD21 LEU A 529 -9.477 2.042 -4.722 1.00 0.69 H new ATOM 0 HD22 LEU A 529 -8.050 2.858 -4.040 1.00 0.69 H new ATOM 0 HD23 LEU A 529 -8.174 1.083 -3.981 1.00 0.69 H new ATOM 307 N LYS A 530 -6.939 1.007 1.009 1.00 0.23 N ATOM 308 CA LYS A 530 -5.982 1.156 2.095 1.00 0.30 C ATOM 309 C LYS A 530 -5.051 -0.046 2.167 1.00 0.24 C ATOM 310 O LYS A 530 -3.847 0.116 2.336 1.00 0.29 O ATOM 311 CB LYS A 530 -6.700 1.357 3.432 1.00 0.47 C ATOM 312 CG LYS A 530 -7.410 2.700 3.550 1.00 1.14 C ATOM 313 CD LYS A 530 -6.428 3.858 3.441 1.00 1.72 C ATOM 314 CE LYS A 530 -7.134 5.208 3.446 1.00 2.36 C ATOM 315 NZ LYS A 530 -7.866 5.460 4.717 1.00 2.78 N ATOM 0 H LYS A 530 -7.912 0.940 1.308 1.00 0.23 H new ATOM 0 HA LYS A 530 -5.382 2.043 1.892 1.00 0.30 H new ATOM 0 HB2 LYS A 530 -7.429 0.558 3.567 1.00 0.47 H new ATOM 0 HB3 LYS A 530 -5.975 1.267 4.241 1.00 0.47 H new ATOM 0 HG2 LYS A 530 -8.164 2.785 2.767 1.00 1.14 H new ATOM 0 HG3 LYS A 530 -7.934 2.754 4.504 1.00 1.14 H new ATOM 0 HD2 LYS A 530 -5.723 3.815 4.271 1.00 1.72 H new ATOM 0 HD3 LYS A 530 -5.848 3.756 2.524 1.00 1.72 H new ATOM 0 HE2 LYS A 530 -6.401 5.999 3.289 1.00 2.36 H new ATOM 0 HE3 LYS A 530 -7.834 5.252 2.612 1.00 2.36 H new ATOM 0 HZ1 LYS A 530 -8.259 6.423 4.706 1.00 2.78 H new ATOM 0 HZ2 LYS A 530 -8.640 4.772 4.814 1.00 2.78 H new ATOM 0 HZ3 LYS A 530 -7.212 5.361 5.520 1.00 2.78 H new ATOM 329 N GLU A 531 -5.604 -1.245 2.006 1.00 0.21 N ATOM 330 CA GLU A 531 -4.802 -2.464 2.056 1.00 0.26 C ATOM 331 C GLU A 531 -3.764 -2.484 0.939 1.00 0.23 C ATOM 332 O GLU A 531 -2.600 -2.804 1.178 1.00 0.26 O ATOM 333 CB GLU A 531 -5.683 -3.707 1.967 1.00 0.37 C ATOM 334 CG GLU A 531 -6.620 -3.870 3.149 1.00 0.50 C ATOM 335 CD GLU A 531 -7.353 -5.190 3.125 1.00 0.68 C ATOM 336 OE1 GLU A 531 -8.329 -5.323 2.364 1.00 0.98 O ATOM 337 OE2 GLU A 531 -6.944 -6.110 3.866 1.00 1.00 O ATOM 0 H GLU A 531 -6.599 -1.399 1.841 1.00 0.21 H new ATOM 0 HA GLU A 531 -4.284 -2.473 3.015 1.00 0.26 H new ATOM 0 HB2 GLU A 531 -6.271 -3.661 1.051 1.00 0.37 H new ATOM 0 HB3 GLU A 531 -5.047 -4.589 1.893 1.00 0.37 H new ATOM 0 HG2 GLU A 531 -6.050 -3.791 4.075 1.00 0.50 H new ATOM 0 HG3 GLU A 531 -7.344 -3.055 3.150 1.00 0.50 H new ATOM 344 N GLN A 532 -4.177 -2.128 -0.273 1.00 0.23 N ATOM 345 CA GLN A 532 -3.247 -2.057 -1.395 1.00 0.32 C ATOM 346 C GLN A 532 -2.167 -1.018 -1.117 1.00 0.33 C ATOM 347 O GLN A 532 -0.998 -1.218 -1.438 1.00 0.41 O ATOM 348 CB GLN A 532 -3.975 -1.703 -2.696 1.00 0.40 C ATOM 349 CG GLN A 532 -3.043 -1.612 -3.899 1.00 0.97 C ATOM 350 CD GLN A 532 -3.730 -1.130 -5.163 1.00 1.51 C ATOM 351 OE1 GLN A 532 -3.342 -1.503 -6.270 1.00 2.20 O ATOM 352 NE2 GLN A 532 -4.739 -0.284 -5.012 1.00 2.06 N ATOM 0 H GLN A 532 -5.141 -1.886 -0.503 1.00 0.23 H new ATOM 0 HA GLN A 532 -2.788 -3.039 -1.511 1.00 0.32 H new ATOM 0 HB2 GLN A 532 -4.740 -2.454 -2.893 1.00 0.40 H new ATOM 0 HB3 GLN A 532 -4.489 -0.750 -2.570 1.00 0.40 H new ATOM 0 HG2 GLN A 532 -2.221 -0.936 -3.662 1.00 0.97 H new ATOM 0 HG3 GLN A 532 -2.605 -2.593 -4.084 1.00 0.97 H new ATOM 0 HE21 GLN A 532 -5.030 0.001 -4.077 1.00 2.06 H new ATOM 0 HE22 GLN A 532 -5.224 0.082 -5.831 1.00 2.06 H new ATOM 361 N THR A 533 -2.565 0.083 -0.503 1.00 0.29 N ATOM 362 CA THR A 533 -1.641 1.158 -0.209 1.00 0.36 C ATOM 363 C THR A 533 -0.659 0.758 0.891 1.00 0.35 C ATOM 364 O THR A 533 0.545 0.932 0.734 1.00 0.41 O ATOM 365 CB THR A 533 -2.388 2.442 0.199 1.00 0.41 C ATOM 366 OG1 THR A 533 -3.381 2.756 -0.788 1.00 0.45 O ATOM 367 CG2 THR A 533 -1.421 3.606 0.325 1.00 0.53 C ATOM 0 H THR A 533 -3.524 0.253 -0.199 1.00 0.29 H new ATOM 0 HA THR A 533 -1.080 1.358 -1.122 1.00 0.36 H new ATOM 0 HB THR A 533 -2.865 2.273 1.164 1.00 0.41 H new ATOM 0 HG1 THR A 533 -4.248 2.396 -0.506 1.00 0.45 H new ATOM 0 HG21 THR A 533 -1.968 4.504 0.614 1.00 0.53 H new ATOM 0 HG22 THR A 533 -0.673 3.377 1.084 1.00 0.53 H new ATOM 0 HG23 THR A 533 -0.927 3.774 -0.632 1.00 0.53 H new ATOM 375 N VAL A 534 -1.168 0.191 1.986 1.00 0.29 N ATOM 376 CA VAL A 534 -0.320 -0.150 3.126 1.00 0.32 C ATOM 377 C VAL A 534 0.744 -1.181 2.754 1.00 0.32 C ATOM 378 O VAL A 534 1.886 -1.074 3.196 1.00 0.35 O ATOM 379 CB VAL A 534 -1.122 -0.639 4.359 1.00 0.32 C ATOM 380 CG1 VAL A 534 -2.026 0.466 4.879 1.00 0.36 C ATOM 381 CG2 VAL A 534 -1.933 -1.884 4.047 1.00 0.28 C ATOM 0 H VAL A 534 -2.154 -0.040 2.106 1.00 0.29 H new ATOM 0 HA VAL A 534 0.173 0.781 3.407 1.00 0.32 H new ATOM 0 HB VAL A 534 -0.402 -0.901 5.134 1.00 0.32 H new ATOM 0 HG11 VAL A 534 -2.581 0.105 5.745 1.00 0.36 H new ATOM 0 HG12 VAL A 534 -1.421 1.325 5.169 1.00 0.36 H new ATOM 0 HG13 VAL A 534 -2.725 0.762 4.097 1.00 0.36 H new ATOM 0 HG21 VAL A 534 -2.480 -2.194 4.937 1.00 0.28 H new ATOM 0 HG22 VAL A 534 -2.638 -1.667 3.245 1.00 0.28 H new ATOM 0 HG23 VAL A 534 -1.264 -2.686 3.735 1.00 0.28 H new ATOM 391 N GLU A 535 0.389 -2.166 1.936 1.00 0.29 N ATOM 392 CA GLU A 535 1.361 -3.157 1.499 1.00 0.32 C ATOM 393 C GLU A 535 2.340 -2.540 0.502 1.00 0.36 C ATOM 394 O GLU A 535 3.531 -2.840 0.525 1.00 0.39 O ATOM 395 CB GLU A 535 0.666 -4.378 0.887 1.00 0.34 C ATOM 396 CG GLU A 535 -0.178 -4.065 -0.335 1.00 0.36 C ATOM 397 CD GLU A 535 -0.629 -5.309 -1.071 1.00 0.54 C ATOM 398 OE1 GLU A 535 0.121 -5.782 -1.953 1.00 0.69 O ATOM 399 OE2 GLU A 535 -1.734 -5.819 -0.785 1.00 0.81 O ATOM 0 H GLU A 535 -0.553 -2.298 1.567 1.00 0.29 H new ATOM 0 HA GLU A 535 1.920 -3.492 2.373 1.00 0.32 H new ATOM 0 HB2 GLU A 535 1.422 -5.114 0.614 1.00 0.34 H new ATOM 0 HB3 GLU A 535 0.032 -4.839 1.644 1.00 0.34 H new ATOM 0 HG2 GLU A 535 -1.053 -3.492 -0.029 1.00 0.36 H new ATOM 0 HG3 GLU A 535 0.395 -3.434 -1.015 1.00 0.36 H new ATOM 406 N ARG A 536 1.835 -1.655 -0.351 1.00 0.38 N ATOM 407 CA ARG A 536 2.662 -0.995 -1.352 1.00 0.44 C ATOM 408 C ARG A 536 3.646 -0.027 -0.702 1.00 0.46 C ATOM 409 O ARG A 536 4.823 -0.007 -1.054 1.00 0.49 O ATOM 410 CB ARG A 536 1.780 -0.281 -2.381 1.00 0.49 C ATOM 411 CG ARG A 536 2.559 0.524 -3.406 1.00 0.59 C ATOM 412 CD ARG A 536 2.463 2.009 -3.116 1.00 0.65 C ATOM 413 NE ARG A 536 1.116 2.523 -3.367 1.00 0.70 N ATOM 414 CZ ARG A 536 0.710 3.746 -3.030 1.00 0.93 C ATOM 415 NH1 ARG A 536 1.554 4.594 -2.459 1.00 1.38 N ATOM 416 NH2 ARG A 536 -0.539 4.124 -3.277 1.00 0.94 N ATOM 0 H ARG A 536 0.853 -1.378 -0.368 1.00 0.38 H new ATOM 0 HA ARG A 536 3.247 -1.755 -1.870 1.00 0.44 H new ATOM 0 HB2 ARG A 536 1.173 -1.022 -2.901 1.00 0.49 H new ATOM 0 HB3 ARG A 536 1.093 0.384 -1.857 1.00 0.49 H new ATOM 0 HG2 ARG A 536 3.604 0.215 -3.399 1.00 0.59 H new ATOM 0 HG3 ARG A 536 2.173 0.319 -4.405 1.00 0.59 H new ATOM 0 HD2 ARG A 536 2.736 2.195 -2.077 1.00 0.65 H new ATOM 0 HD3 ARG A 536 3.180 2.548 -3.736 1.00 0.65 H new ATOM 0 HE ARG A 536 0.447 1.907 -3.828 1.00 0.70 H new ATOM 0 HH11 ARG A 536 2.517 4.310 -2.277 1.00 1.38 H new ATOM 0 HH12 ARG A 536 1.241 5.530 -2.202 1.00 1.38 H new ATOM 0 HH21 ARG A 536 -1.188 3.478 -3.725 1.00 0.94 H new ATOM 0 HH22 ARG A 536 -0.849 5.061 -3.019 1.00 0.94 H new ATOM 430 N VAL A 537 3.177 0.763 0.255 1.00 0.45 N ATOM 431 CA VAL A 537 4.050 1.700 0.952 1.00 0.49 C ATOM 432 C VAL A 537 5.088 0.944 1.762 1.00 0.45 C ATOM 433 O VAL A 537 6.240 1.352 1.843 1.00 0.48 O ATOM 434 CB VAL A 537 3.279 2.678 1.869 1.00 0.51 C ATOM 435 CG1 VAL A 537 2.289 3.485 1.055 1.00 0.55 C ATOM 436 CG2 VAL A 537 2.570 1.945 2.997 1.00 0.47 C ATOM 0 H VAL A 537 2.205 0.775 0.565 1.00 0.45 H new ATOM 0 HA VAL A 537 4.539 2.301 0.185 1.00 0.49 H new ATOM 0 HB VAL A 537 4.003 3.356 2.322 1.00 0.51 H new ATOM 0 HG11 VAL A 537 1.752 4.170 1.711 1.00 0.55 H new ATOM 0 HG12 VAL A 537 2.822 4.054 0.294 1.00 0.55 H new ATOM 0 HG13 VAL A 537 1.579 2.812 0.574 1.00 0.55 H new ATOM 0 HG21 VAL A 537 2.039 2.664 3.621 1.00 0.47 H new ATOM 0 HG22 VAL A 537 1.859 1.233 2.578 1.00 0.47 H new ATOM 0 HG23 VAL A 537 3.303 1.412 3.602 1.00 0.47 H new ATOM 446 N THR A 538 4.660 -0.155 2.366 1.00 0.40 N ATOM 447 CA THR A 538 5.551 -1.025 3.110 1.00 0.38 C ATOM 448 C THR A 538 6.577 -1.682 2.178 1.00 0.36 C ATOM 449 O THR A 538 7.741 -1.836 2.537 1.00 0.34 O ATOM 450 CB THR A 538 4.746 -2.097 3.867 1.00 0.35 C ATOM 451 OG1 THR A 538 3.899 -1.469 4.840 1.00 0.36 O ATOM 452 CG2 THR A 538 5.657 -3.099 4.549 1.00 0.36 C ATOM 0 H THR A 538 3.689 -0.466 2.353 1.00 0.40 H new ATOM 0 HA THR A 538 6.092 -0.419 3.836 1.00 0.38 H new ATOM 0 HB THR A 538 4.138 -2.637 3.141 1.00 0.35 H new ATOM 0 HG1 THR A 538 2.972 -1.483 4.524 1.00 0.36 H new ATOM 0 HG21 THR A 538 5.054 -3.841 5.073 1.00 0.36 H new ATOM 0 HG22 THR A 538 6.275 -3.596 3.802 1.00 0.36 H new ATOM 0 HG23 THR A 538 6.297 -2.581 5.263 1.00 0.36 H new ATOM 460 N LEU A 539 6.142 -2.047 0.976 1.00 0.37 N ATOM 461 CA LEU A 539 7.034 -2.610 -0.026 1.00 0.37 C ATOM 462 C LEU A 539 8.056 -1.556 -0.443 1.00 0.38 C ATOM 463 O LEU A 539 9.254 -1.827 -0.512 1.00 0.35 O ATOM 464 CB LEU A 539 6.204 -3.117 -1.227 1.00 0.42 C ATOM 465 CG LEU A 539 6.978 -3.676 -2.426 1.00 0.47 C ATOM 466 CD1 LEU A 539 7.424 -2.546 -3.330 1.00 0.52 C ATOM 467 CD2 LEU A 539 8.170 -4.508 -1.974 1.00 0.44 C ATOM 0 H LEU A 539 5.172 -1.961 0.673 1.00 0.37 H new ATOM 0 HA LEU A 539 7.579 -3.460 0.384 1.00 0.37 H new ATOM 0 HB2 LEU A 539 5.530 -3.894 -0.868 1.00 0.42 H new ATOM 0 HB3 LEU A 539 5.582 -2.294 -1.580 1.00 0.42 H new ATOM 0 HG LEU A 539 6.312 -4.332 -2.987 1.00 0.47 H new ATOM 0 HD11 LEU A 539 7.973 -2.954 -4.179 1.00 0.52 H new ATOM 0 HD12 LEU A 539 6.551 -2.002 -3.690 1.00 0.52 H new ATOM 0 HD13 LEU A 539 8.070 -1.867 -2.773 1.00 0.52 H new ATOM 0 HD21 LEU A 539 8.699 -4.891 -2.847 1.00 0.44 H new ATOM 0 HD22 LEU A 539 8.845 -3.887 -1.385 1.00 0.44 H new ATOM 0 HD23 LEU A 539 7.821 -5.343 -1.366 1.00 0.44 H new ATOM 479 N GLN A 540 7.576 -0.348 -0.705 1.00 0.43 N ATOM 480 CA GLN A 540 8.455 0.770 -1.025 1.00 0.45 C ATOM 481 C GLN A 540 9.359 1.094 0.160 1.00 0.35 C ATOM 482 O GLN A 540 10.485 1.544 -0.014 1.00 0.30 O ATOM 483 CB GLN A 540 7.643 1.998 -1.423 1.00 0.58 C ATOM 484 CG GLN A 540 6.819 1.784 -2.677 1.00 0.69 C ATOM 485 CD GLN A 540 7.668 1.521 -3.907 1.00 0.73 C ATOM 486 OE1 GLN A 540 8.798 2.004 -4.016 1.00 1.05 O ATOM 487 NE2 GLN A 540 7.132 0.752 -4.841 1.00 1.55 N ATOM 0 H GLN A 540 6.583 -0.116 -0.702 1.00 0.43 H new ATOM 0 HA GLN A 540 9.079 0.482 -1.871 1.00 0.45 H new ATOM 0 HB2 GLN A 540 6.980 2.270 -0.602 1.00 0.58 H new ATOM 0 HB3 GLN A 540 8.319 2.839 -1.579 1.00 0.58 H new ATOM 0 HG2 GLN A 540 6.143 0.943 -2.522 1.00 0.69 H new ATOM 0 HG3 GLN A 540 6.199 2.663 -2.852 1.00 0.69 H new ATOM 0 HE21 GLN A 540 6.194 0.372 -4.712 1.00 1.55 H new ATOM 0 HE22 GLN A 540 7.657 0.539 -5.689 1.00 1.55 H new ATOM 496 N ASN A 541 8.855 0.856 1.361 1.00 0.37 N ATOM 497 CA ASN A 541 9.650 1.007 2.576 1.00 0.34 C ATOM 498 C ASN A 541 10.789 -0.005 2.584 1.00 0.25 C ATOM 499 O ASN A 541 11.923 0.319 2.934 1.00 0.25 O ATOM 500 CB ASN A 541 8.772 0.817 3.817 1.00 0.42 C ATOM 501 CG ASN A 541 9.539 1.012 5.112 1.00 0.49 C ATOM 502 OD1 ASN A 541 10.117 0.070 5.655 1.00 1.08 O ATOM 503 ND2 ASN A 541 9.541 2.233 5.620 1.00 1.21 N ATOM 0 H ASN A 541 7.894 0.556 1.524 1.00 0.37 H new ATOM 0 HA ASN A 541 10.068 2.014 2.595 1.00 0.34 H new ATOM 0 HB2 ASN A 541 7.942 1.523 3.781 1.00 0.42 H new ATOM 0 HB3 ASN A 541 8.341 -0.184 3.802 1.00 0.42 H new ATOM 0 HD21 ASN A 541 10.034 2.421 6.493 1.00 1.21 H new ATOM 0 HD22 ASN A 541 9.050 2.986 5.139 1.00 1.21 H new ATOM 510 N GLN A 542 10.481 -1.235 2.187 1.00 0.22 N ATOM 511 CA GLN A 542 11.491 -2.273 2.046 1.00 0.21 C ATOM 512 C GLN A 542 12.484 -1.883 0.961 1.00 0.18 C ATOM 513 O GLN A 542 13.684 -2.114 1.087 1.00 0.24 O ATOM 514 CB GLN A 542 10.845 -3.613 1.696 1.00 0.27 C ATOM 515 CG GLN A 542 9.890 -4.127 2.753 1.00 0.33 C ATOM 516 CD GLN A 542 9.233 -5.426 2.343 1.00 1.18 C ATOM 517 OE1 GLN A 542 8.170 -5.430 1.720 1.00 1.94 O ATOM 518 NE2 GLN A 542 9.862 -6.539 2.680 1.00 1.98 N ATOM 0 H GLN A 542 9.534 -1.537 1.957 1.00 0.22 H new ATOM 0 HA GLN A 542 12.013 -2.377 2.997 1.00 0.21 H new ATOM 0 HB2 GLN A 542 10.308 -3.511 0.753 1.00 0.27 H new ATOM 0 HB3 GLN A 542 11.629 -4.353 1.538 1.00 0.27 H new ATOM 0 HG2 GLN A 542 10.430 -4.274 3.688 1.00 0.33 H new ATOM 0 HG3 GLN A 542 9.122 -3.377 2.943 1.00 0.33 H new ATOM 0 HE21 GLN A 542 10.741 -6.492 3.196 1.00 1.98 H new ATOM 0 HE22 GLN A 542 9.469 -7.445 2.424 1.00 1.98 H new ATOM 527 N LEU A 543 11.969 -1.288 -0.106 1.00 0.19 N ATOM 528 CA LEU A 543 12.810 -0.799 -1.188 1.00 0.23 C ATOM 529 C LEU A 543 13.656 0.375 -0.700 1.00 0.16 C ATOM 530 O LEU A 543 14.783 0.562 -1.145 1.00 0.24 O ATOM 531 CB LEU A 543 11.950 -0.405 -2.394 1.00 0.34 C ATOM 532 CG LEU A 543 12.721 -0.137 -3.690 1.00 0.46 C ATOM 533 CD1 LEU A 543 11.867 -0.492 -4.894 1.00 0.61 C ATOM 534 CD2 LEU A 543 13.157 1.319 -3.776 1.00 0.43 C ATOM 0 H LEU A 543 10.971 -1.132 -0.245 1.00 0.19 H new ATOM 0 HA LEU A 543 13.484 -1.594 -1.506 1.00 0.23 H new ATOM 0 HB2 LEU A 543 11.227 -1.200 -2.579 1.00 0.34 H new ATOM 0 HB3 LEU A 543 11.382 0.489 -2.137 1.00 0.34 H new ATOM 0 HG LEU A 543 13.613 -0.764 -3.686 1.00 0.46 H new ATOM 0 HD11 LEU A 543 12.428 -0.296 -5.808 1.00 0.61 H new ATOM 0 HD12 LEU A 543 11.599 -1.548 -4.851 1.00 0.61 H new ATOM 0 HD13 LEU A 543 10.960 0.113 -4.888 1.00 0.61 H new ATOM 0 HD21 LEU A 543 13.702 1.481 -4.706 1.00 0.43 H new ATOM 0 HD22 LEU A 543 12.278 1.964 -3.753 1.00 0.43 H new ATOM 0 HD23 LEU A 543 13.803 1.556 -2.931 1.00 0.43 H new ATOM 546 N GLN A 544 13.106 1.156 0.220 1.00 0.11 N ATOM 547 CA GLN A 544 13.845 2.230 0.851 1.00 0.20 C ATOM 548 C GLN A 544 15.024 1.651 1.624 1.00 0.29 C ATOM 549 O GLN A 544 16.145 2.138 1.521 1.00 0.37 O ATOM 550 CB GLN A 544 12.931 3.023 1.782 1.00 0.32 C ATOM 551 CG GLN A 544 13.657 4.087 2.575 1.00 0.49 C ATOM 552 CD GLN A 544 12.781 4.745 3.623 1.00 0.78 C ATOM 553 OE1 GLN A 544 13.267 5.194 4.661 1.00 1.34 O ATOM 554 NE2 GLN A 544 11.485 4.804 3.361 1.00 1.64 N ATOM 0 H GLN A 544 12.144 1.061 0.545 1.00 0.11 H new ATOM 0 HA GLN A 544 14.222 2.907 0.085 1.00 0.20 H new ATOM 0 HB2 GLN A 544 12.144 3.494 1.192 1.00 0.32 H new ATOM 0 HB3 GLN A 544 12.443 2.335 2.473 1.00 0.32 H new ATOM 0 HG2 GLN A 544 14.524 3.641 3.062 1.00 0.49 H new ATOM 0 HG3 GLN A 544 14.032 4.849 1.892 1.00 0.49 H new ATOM 0 HE21 GLN A 544 11.123 4.420 2.488 1.00 1.64 H new ATOM 0 HE22 GLN A 544 10.848 5.234 4.032 1.00 1.64 H new ATOM 563 N GLN A 545 14.759 0.593 2.383 1.00 0.33 N ATOM 564 CA GLN A 545 15.813 -0.126 3.090 1.00 0.47 C ATOM 565 C GLN A 545 16.817 -0.691 2.089 1.00 0.50 C ATOM 566 O GLN A 545 18.018 -0.720 2.339 1.00 0.63 O ATOM 567 CB GLN A 545 15.220 -1.264 3.921 1.00 0.53 C ATOM 568 CG GLN A 545 14.146 -0.822 4.902 1.00 1.16 C ATOM 569 CD GLN A 545 13.545 -1.987 5.664 1.00 1.53 C ATOM 570 OE1 GLN A 545 14.215 -2.987 5.920 1.00 1.91 O ATOM 571 NE2 GLN A 545 12.275 -1.873 6.019 1.00 2.20 N ATOM 0 H GLN A 545 13.823 0.214 2.525 1.00 0.33 H new ATOM 0 HA GLN A 545 16.320 0.570 3.758 1.00 0.47 H new ATOM 0 HB2 GLN A 545 14.797 -2.009 3.247 1.00 0.53 H new ATOM 0 HB3 GLN A 545 16.023 -1.753 4.473 1.00 0.53 H new ATOM 0 HG2 GLN A 545 14.574 -0.111 5.609 1.00 1.16 H new ATOM 0 HG3 GLN A 545 13.357 -0.299 4.362 1.00 1.16 H new ATOM 0 HE21 GLN A 545 11.755 -1.027 5.787 1.00 2.20 H new ATOM 0 HE22 GLN A 545 11.817 -2.631 6.524 1.00 2.20 H new ATOM 580 N PHE A 546 16.304 -1.119 0.944 1.00 0.42 N ATOM 581 CA PHE A 546 17.126 -1.681 -0.114 1.00 0.53 C ATOM 582 C PHE A 546 18.037 -0.615 -0.720 1.00 0.61 C ATOM 583 O PHE A 546 19.245 -0.812 -0.820 1.00 0.77 O ATOM 584 CB PHE A 546 16.214 -2.322 -1.171 1.00 0.54 C ATOM 585 CG PHE A 546 16.732 -2.281 -2.581 1.00 0.68 C ATOM 586 CD1 PHE A 546 17.729 -3.143 -3.007 1.00 1.26 C ATOM 587 CD2 PHE A 546 16.205 -1.373 -3.486 1.00 0.93 C ATOM 588 CE1 PHE A 546 18.185 -3.104 -4.312 1.00 1.38 C ATOM 589 CE2 PHE A 546 16.656 -1.327 -4.787 1.00 1.03 C ATOM 590 CZ PHE A 546 17.649 -2.192 -5.203 1.00 0.99 C ATOM 0 H PHE A 546 15.308 -1.086 0.724 1.00 0.42 H new ATOM 0 HA PHE A 546 17.777 -2.452 0.298 1.00 0.53 H new ATOM 0 HB2 PHE A 546 16.043 -3.363 -0.895 1.00 0.54 H new ATOM 0 HB3 PHE A 546 15.246 -1.821 -1.143 1.00 0.54 H new ATOM 0 HD1 PHE A 546 18.155 -3.853 -2.313 1.00 1.26 H new ATOM 0 HD2 PHE A 546 15.430 -0.692 -3.167 1.00 0.93 H new ATOM 0 HE1 PHE A 546 18.959 -3.785 -4.635 1.00 1.38 H new ATOM 0 HE2 PHE A 546 16.233 -0.615 -5.481 1.00 1.03 H new ATOM 0 HZ PHE A 546 18.006 -2.156 -6.222 1.00 0.99 H new ATOM 600 N LEU A 547 17.460 0.521 -1.106 1.00 0.53 N ATOM 601 CA LEU A 547 18.237 1.608 -1.678 1.00 0.64 C ATOM 602 C LEU A 547 19.208 2.161 -0.645 1.00 0.74 C ATOM 603 O LEU A 547 20.322 2.565 -0.981 1.00 0.89 O ATOM 604 CB LEU A 547 17.314 2.705 -2.239 1.00 0.59 C ATOM 605 CG LEU A 547 16.526 3.549 -1.226 1.00 0.50 C ATOM 606 CD1 LEU A 547 17.348 4.734 -0.737 1.00 0.66 C ATOM 607 CD2 LEU A 547 15.226 4.036 -1.846 1.00 0.46 C ATOM 0 H LEU A 547 16.460 0.708 -1.032 1.00 0.53 H new ATOM 0 HA LEU A 547 18.822 1.221 -2.513 1.00 0.64 H new ATOM 0 HB2 LEU A 547 17.921 3.381 -2.841 1.00 0.59 H new ATOM 0 HB3 LEU A 547 16.599 2.232 -2.913 1.00 0.59 H new ATOM 0 HG LEU A 547 16.298 2.917 -0.367 1.00 0.50 H new ATOM 0 HD11 LEU A 547 16.763 5.312 -0.021 1.00 0.66 H new ATOM 0 HD12 LEU A 547 18.257 4.373 -0.255 1.00 0.66 H new ATOM 0 HD13 LEU A 547 17.614 5.367 -1.584 1.00 0.66 H new ATOM 0 HD21 LEU A 547 14.677 4.633 -1.118 1.00 0.46 H new ATOM 0 HD22 LEU A 547 15.447 4.645 -2.722 1.00 0.46 H new ATOM 0 HD23 LEU A 547 14.621 3.179 -2.143 1.00 0.46 H new ATOM 619 N GLU A 548 18.773 2.180 0.609 1.00 0.69 N ATOM 620 CA GLU A 548 19.639 2.546 1.718 1.00 0.85 C ATOM 621 C GLU A 548 20.823 1.600 1.821 1.00 0.97 C ATOM 622 O GLU A 548 21.955 2.044 1.979 1.00 1.12 O ATOM 623 CB GLU A 548 18.869 2.562 3.036 1.00 0.87 C ATOM 624 CG GLU A 548 18.269 3.914 3.362 1.00 0.88 C ATOM 625 CD GLU A 548 19.335 4.969 3.568 1.00 1.55 C ATOM 626 OE1 GLU A 548 19.920 5.022 4.672 1.00 1.98 O ATOM 627 OE2 GLU A 548 19.606 5.745 2.631 1.00 2.23 O ATOM 0 H GLU A 548 17.819 1.944 0.882 1.00 0.69 H new ATOM 0 HA GLU A 548 20.012 3.551 1.522 1.00 0.85 H new ATOM 0 HB2 GLU A 548 18.072 1.819 2.993 1.00 0.87 H new ATOM 0 HB3 GLU A 548 19.538 2.265 3.844 1.00 0.87 H new ATOM 0 HG2 GLU A 548 17.605 4.221 2.554 1.00 0.88 H new ATOM 0 HG3 GLU A 548 17.659 3.833 4.262 1.00 0.88 H new ATOM 634 N ALA A 549 20.563 0.303 1.725 1.00 0.93 N ATOM 635 CA ALA A 549 21.626 -0.695 1.760 1.00 1.09 C ATOM 636 C ALA A 549 22.603 -0.482 0.610 1.00 1.20 C ATOM 637 O ALA A 549 23.806 -0.689 0.755 1.00 1.35 O ATOM 638 CB ALA A 549 21.040 -2.099 1.707 1.00 1.06 C ATOM 0 H ALA A 549 19.625 -0.084 1.622 1.00 0.93 H new ATOM 0 HA ALA A 549 22.171 -0.582 2.697 1.00 1.09 H new ATOM 0 HB1 ALA A 549 21.847 -2.831 1.734 1.00 1.06 H new ATOM 0 HB2 ALA A 549 20.383 -2.252 2.563 1.00 1.06 H new ATOM 0 HB3 ALA A 549 20.470 -2.221 0.786 1.00 1.06 H new ATOM 644 N GLN A 550 22.076 -0.058 -0.532 1.00 1.15 N ATOM 645 CA GLN A 550 22.903 0.240 -1.692 1.00 1.31 C ATOM 646 C GLN A 550 23.760 1.477 -1.432 1.00 1.43 C ATOM 647 O GLN A 550 24.971 1.473 -1.654 1.00 1.65 O ATOM 648 CB GLN A 550 22.030 0.466 -2.930 1.00 1.26 C ATOM 649 CG GLN A 550 21.122 -0.705 -3.268 1.00 1.20 C ATOM 650 CD GLN A 550 21.877 -2.008 -3.472 1.00 1.71 C ATOM 651 OE1 GLN A 550 21.361 -3.086 -3.178 1.00 2.38 O ATOM 652 NE2 GLN A 550 23.093 -1.921 -3.987 1.00 2.29 N ATOM 0 H GLN A 550 21.077 0.087 -0.679 1.00 1.15 H new ATOM 0 HA GLN A 550 23.557 -0.613 -1.872 1.00 1.31 H new ATOM 0 HB2 GLN A 550 21.418 1.354 -2.773 1.00 1.26 H new ATOM 0 HB3 GLN A 550 22.675 0.671 -3.784 1.00 1.26 H new ATOM 0 HG2 GLN A 550 20.395 -0.836 -2.467 1.00 1.20 H new ATOM 0 HG3 GLN A 550 20.561 -0.472 -4.173 1.00 1.20 H new ATOM 0 HE21 GLN A 550 23.485 -1.008 -4.217 1.00 2.29 H new ATOM 0 HE22 GLN A 550 23.638 -2.767 -4.154 1.00 2.29 H new ATOM 661 N LYS A 551 23.124 2.524 -0.922 1.00 1.33 N ATOM 662 CA LYS A 551 23.794 3.783 -0.664 1.00 1.50 C ATOM 663 C LYS A 551 24.723 3.641 0.538 1.00 1.72 C ATOM 664 O LYS A 551 25.665 4.411 0.701 1.00 2.01 O ATOM 665 CB LYS A 551 22.736 4.883 -0.490 1.00 1.43 C ATOM 666 CG LYS A 551 22.450 5.250 0.941 1.00 1.36 C ATOM 667 CD LYS A 551 23.316 6.402 1.372 1.00 1.66 C ATOM 668 CE LYS A 551 23.241 6.598 2.862 1.00 1.93 C ATOM 669 NZ LYS A 551 21.884 7.027 3.309 1.00 2.36 N ATOM 0 H LYS A 551 22.134 2.520 -0.678 1.00 1.33 H new ATOM 0 HA LYS A 551 24.425 4.069 -1.506 1.00 1.50 H new ATOM 0 HB2 LYS A 551 23.066 5.775 -1.022 1.00 1.43 H new ATOM 0 HB3 LYS A 551 21.809 4.556 -0.961 1.00 1.43 H new ATOM 0 HG2 LYS A 551 21.399 5.516 1.051 1.00 1.36 H new ATOM 0 HG3 LYS A 551 22.630 4.390 1.586 1.00 1.36 H new ATOM 0 HD2 LYS A 551 24.349 6.217 1.076 1.00 1.66 H new ATOM 0 HD3 LYS A 551 22.997 7.312 0.864 1.00 1.66 H new ATOM 0 HE2 LYS A 551 23.509 5.667 3.363 1.00 1.93 H new ATOM 0 HE3 LYS A 551 23.974 7.345 3.165 1.00 1.93 H new ATOM 0 HZ1 LYS A 551 21.842 7.018 4.348 1.00 2.36 H new ATOM 0 HZ2 LYS A 551 21.692 7.989 2.963 1.00 2.36 H new ATOM 0 HZ3 LYS A 551 21.170 6.373 2.928 1.00 2.36 H new ATOM 683 N SER A 552 24.475 2.629 1.355 1.00 1.61 N ATOM 684 CA SER A 552 25.375 2.294 2.450 1.00 1.82 C ATOM 685 C SER A 552 26.701 1.762 1.907 1.00 1.95 C ATOM 686 O SER A 552 27.747 1.908 2.539 1.00 2.23 O ATOM 687 CB SER A 552 24.729 1.268 3.379 1.00 1.69 C ATOM 688 OG SER A 552 23.573 1.802 4.005 1.00 1.76 O ATOM 0 H SER A 552 23.657 2.024 1.281 1.00 1.61 H new ATOM 0 HA SER A 552 25.574 3.200 3.022 1.00 1.82 H new ATOM 0 HB2 SER A 552 24.460 0.377 2.811 1.00 1.69 H new ATOM 0 HB3 SER A 552 25.447 0.957 4.138 1.00 1.69 H new ATOM 0 HG SER A 552 22.785 1.608 3.456 1.00 1.76 H new ATOM 694 N GLU A 553 26.651 1.159 0.729 1.00 1.81 N ATOM 695 CA GLU A 553 27.855 0.704 0.055 1.00 2.00 C ATOM 696 C GLU A 553 28.510 1.865 -0.677 1.00 2.25 C ATOM 697 O GLU A 553 29.734 1.968 -0.741 1.00 2.55 O ATOM 698 CB GLU A 553 27.521 -0.414 -0.926 1.00 1.88 C ATOM 699 CG GLU A 553 26.956 -1.650 -0.253 1.00 1.75 C ATOM 700 CD GLU A 553 27.984 -2.379 0.583 1.00 1.97 C ATOM 701 OE1 GLU A 553 28.120 -2.066 1.785 1.00 2.46 O ATOM 702 OE2 GLU A 553 28.656 -3.285 0.044 1.00 1.91 O ATOM 0 H GLU A 553 25.787 0.974 0.220 1.00 1.81 H new ATOM 0 HA GLU A 553 28.550 0.317 0.800 1.00 2.00 H new ATOM 0 HB2 GLU A 553 26.801 -0.045 -1.656 1.00 1.88 H new ATOM 0 HB3 GLU A 553 28.422 -0.687 -1.476 1.00 1.88 H new ATOM 0 HG2 GLU A 553 26.116 -1.363 0.380 1.00 1.75 H new ATOM 0 HG3 GLU A 553 26.565 -2.327 -1.013 1.00 1.75 H new ATOM 709 N GLY A 554 27.674 2.742 -1.221 1.00 2.16 N ATOM 710 CA GLY A 554 28.165 3.908 -1.932 1.00 2.43 C ATOM 711 C GLY A 554 28.808 4.926 -1.008 1.00 2.68 C ATOM 712 O GLY A 554 29.719 5.648 -1.407 1.00 2.98 O ATOM 0 H GLY A 554 26.658 2.665 -1.182 1.00 2.16 H new ATOM 0 HA2 GLY A 554 28.891 3.593 -2.681 1.00 2.43 H new ATOM 0 HA3 GLY A 554 27.339 4.378 -2.466 1.00 2.43 H new ATOM 716 N LYS A 555 28.319 4.993 0.224 1.00 2.59 N ATOM 717 CA LYS A 555 28.880 5.898 1.226 1.00 2.88 C ATOM 718 C LYS A 555 30.163 5.321 1.811 1.00 3.09 C ATOM 719 O LYS A 555 30.865 5.977 2.583 1.00 3.44 O ATOM 720 CB LYS A 555 27.861 6.150 2.339 1.00 2.82 C ATOM 721 CG LYS A 555 27.664 4.975 3.283 1.00 2.71 C ATOM 722 CD LYS A 555 26.538 5.237 4.270 1.00 2.71 C ATOM 723 CE LYS A 555 26.377 4.083 5.247 1.00 2.99 C ATOM 724 NZ LYS A 555 25.203 4.269 6.143 1.00 3.58 N ATOM 0 H LYS A 555 27.534 4.432 0.556 1.00 2.59 H new ATOM 0 HA LYS A 555 29.116 6.845 0.741 1.00 2.88 H new ATOM 0 HB2 LYS A 555 28.179 7.017 2.918 1.00 2.82 H new ATOM 0 HB3 LYS A 555 26.902 6.403 1.887 1.00 2.82 H new ATOM 0 HG2 LYS A 555 27.442 4.077 2.707 1.00 2.71 H new ATOM 0 HG3 LYS A 555 28.589 4.785 3.827 1.00 2.71 H new ATOM 0 HD2 LYS A 555 26.741 6.156 4.820 1.00 2.71 H new ATOM 0 HD3 LYS A 555 25.605 5.390 3.728 1.00 2.71 H new ATOM 0 HE2 LYS A 555 26.265 3.151 4.692 1.00 2.99 H new ATOM 0 HE3 LYS A 555 27.281 3.989 5.849 1.00 2.99 H new ATOM 0 HZ1 LYS A 555 25.130 3.460 6.793 1.00 3.58 H new ATOM 0 HZ2 LYS A 555 25.321 5.144 6.692 1.00 3.58 H new ATOM 0 HZ3 LYS A 555 24.337 4.333 5.571 1.00 3.58 H new ATOM 738 N SER A 556 30.450 4.085 1.448 1.00 2.91 N ATOM 739 CA SER A 556 31.648 3.412 1.908 1.00 3.12 C ATOM 740 C SER A 556 32.728 3.478 0.832 1.00 3.40 C ATOM 741 O SER A 556 32.438 3.729 -0.341 1.00 3.67 O ATOM 742 CB SER A 556 31.335 1.955 2.262 1.00 2.84 C ATOM 743 OG SER A 556 32.438 1.329 2.900 1.00 3.07 O ATOM 0 H SER A 556 29.864 3.524 0.831 1.00 2.91 H new ATOM 0 HA SER A 556 32.014 3.914 2.804 1.00 3.12 H new ATOM 0 HB2 SER A 556 30.464 1.917 2.917 1.00 2.84 H new ATOM 0 HB3 SER A 556 31.077 1.406 1.356 1.00 2.84 H new ATOM 0 HG SER A 556 32.208 0.401 3.115 1.00 3.07 H new ATOM 749 N LEU A 557 33.968 3.261 1.241 1.00 3.70 N ATOM 750 CA LEU A 557 35.092 3.273 0.322 1.00 4.05 C ATOM 751 C LEU A 557 35.713 1.888 0.257 1.00 4.48 C ATOM 752 O LEU A 557 35.447 1.162 -0.717 1.00 4.98 O ATOM 753 CB LEU A 557 36.140 4.306 0.755 1.00 4.73 C ATOM 754 CG LEU A 557 35.661 5.761 0.776 1.00 5.04 C ATOM 755 CD1 LEU A 557 36.776 6.676 1.256 1.00 5.74 C ATOM 756 CD2 LEU A 557 35.182 6.191 -0.601 1.00 5.35 C ATOM 757 OXT LEU A 557 36.438 1.517 1.206 1.00 4.73 O ATOM 0 H LEU A 557 34.221 3.073 2.211 1.00 3.70 H new ATOM 0 HA LEU A 557 34.731 3.553 -0.668 1.00 4.05 H new ATOM 0 HB2 LEU A 557 36.493 4.043 1.752 1.00 4.73 H new ATOM 0 HB3 LEU A 557 36.996 4.233 0.084 1.00 4.73 H new ATOM 0 HG LEU A 557 34.823 5.835 1.469 1.00 5.04 H new ATOM 0 HD11 LEU A 557 36.422 7.707 1.266 1.00 5.74 H new ATOM 0 HD12 LEU A 557 37.077 6.386 2.263 1.00 5.74 H new ATOM 0 HD13 LEU A 557 37.630 6.592 0.584 1.00 5.74 H new ATOM 0 HD21 LEU A 557 34.847 7.227 -0.562 1.00 5.35 H new ATOM 0 HD22 LEU A 557 36.000 6.101 -1.315 1.00 5.35 H new ATOM 0 HD23 LEU A 557 34.355 5.554 -0.914 1.00 5.35 H new TER 769 LEU A 557