USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=15 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 526 THR OG1 : rot 180:sc= 0.847 USER MOD Set 1.2: A 530 LYS NZ :NH3+ -177:sc= 0.563 (180deg=-0.356) USER MOD Single : A 511 SER OG : rot 180:sc= 0 USER MOD Single : A 514 THR OG1 : rot 180:sc= 0.00901 USER MOD Single : A 515 CYS SG : rot 59:sc= 0.636 USER MOD Single : A 516 MET CE :methyl 163:sc= -0.0623 (180deg=-0.458) USER MOD Single : A 517 SER OG : rot 180:sc= 0 USER MOD Single : A 520 SER OG : rot -95:sc= 1.23 USER MOD Single : A 521 GLN : amide:sc= -1.13 K(o=-1.1,f=-5.9!) USER MOD Single : A 524 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0497) USER MOD Single : A 527 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0394) USER MOD Single : A 528 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 532 GLN : amide:sc= -1.31! K(o=-1.3!,f=-0.055) USER MOD Single : A 533 THR OG1 : rot 75:sc= 1.22 USER MOD Single : A 538 THR OG1 : rot 81:sc= 1.2 USER MOD Single : A 540 GLN : amide:sc= -0.06 K(o=-0.06,f=-0.67) USER MOD Single : A 541 ASN : amide:sc= -0.936 K(o=-0.94,f=-0.0081) USER MOD Single : A 542 GLN : amide:sc=-0.00514 X(o=-0.0051,f=-0.0051) USER MOD Single : A 544 GLN : amide:sc= 0.454 X(o=0.45,f=0) USER MOD Single : A 545 GLN : amide:sc= -0.968 K(o=-0.97,f=0) USER MOD Single : A 550 GLN : amide:sc= -0.703 X(o=-0.7,f=-0.55) USER MOD Single : A 551 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 552 SER OG : rot 74:sc= 0.11 USER MOD Single : A 555 LYS NZ :NH3+ -168:sc=-0.00103 (180deg=-0.089) USER MOD Single : A 556 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 510 -34.517 -8.625 -3.587 1.00 9.10 N ATOM 2 CA GLY A 510 -35.227 -7.393 -4.005 1.00 8.55 C ATOM 3 C GLY A 510 -34.308 -6.189 -4.040 1.00 7.83 C ATOM 4 O GLY A 510 -33.188 -6.274 -4.543 1.00 8.04 O ATOM 0 HA2 GLY A 510 -35.663 -7.544 -4.992 1.00 8.55 H new ATOM 0 HA3 GLY A 510 -36.051 -7.200 -3.318 1.00 8.55 H new ATOM 10 N SER A 511 -34.770 -5.077 -3.478 1.00 7.22 N ATOM 11 CA SER A 511 -34.040 -3.816 -3.532 1.00 6.73 C ATOM 12 C SER A 511 -32.954 -3.753 -2.461 1.00 6.19 C ATOM 13 O SER A 511 -31.822 -3.358 -2.741 1.00 5.90 O ATOM 14 CB SER A 511 -35.010 -2.639 -3.372 1.00 6.95 C ATOM 15 OG SER A 511 -36.015 -2.667 -4.373 1.00 7.47 O ATOM 0 H SER A 511 -35.656 -5.024 -2.975 1.00 7.22 H new ATOM 0 HA SER A 511 -33.553 -3.751 -4.505 1.00 6.73 H new ATOM 0 HB2 SER A 511 -35.473 -2.677 -2.386 1.00 6.95 H new ATOM 0 HB3 SER A 511 -34.460 -1.700 -3.430 1.00 6.95 H new ATOM 0 HG SER A 511 -36.622 -1.908 -4.249 1.00 7.47 H new ATOM 21 N VAL A 512 -33.287 -4.158 -1.235 1.00 6.20 N ATOM 22 CA VAL A 512 -32.311 -4.133 -0.149 1.00 5.78 C ATOM 23 C VAL A 512 -31.214 -5.162 -0.416 1.00 5.49 C ATOM 24 O VAL A 512 -30.080 -5.021 0.045 1.00 5.11 O ATOM 25 CB VAL A 512 -32.964 -4.381 1.231 1.00 6.06 C ATOM 26 CG1 VAL A 512 -33.393 -5.829 1.405 1.00 5.88 C ATOM 27 CG2 VAL A 512 -32.015 -3.951 2.334 1.00 6.40 C ATOM 0 H VAL A 512 -34.211 -4.502 -0.973 1.00 6.20 H new ATOM 0 HA VAL A 512 -31.874 -3.135 -0.118 1.00 5.78 H new ATOM 0 HB VAL A 512 -33.870 -3.779 1.291 1.00 6.06 H new ATOM 0 HG11 VAL A 512 -33.846 -5.959 2.388 1.00 5.88 H new ATOM 0 HG12 VAL A 512 -34.118 -6.089 0.634 1.00 5.88 H new ATOM 0 HG13 VAL A 512 -32.523 -6.479 1.319 1.00 5.88 H new ATOM 0 HG21 VAL A 512 -32.480 -4.128 3.304 1.00 6.40 H new ATOM 0 HG22 VAL A 512 -31.092 -4.526 2.264 1.00 6.40 H new ATOM 0 HG23 VAL A 512 -31.790 -2.890 2.228 1.00 6.40 H new ATOM 37 N GLU A 513 -31.570 -6.181 -1.189 1.00 5.73 N ATOM 38 CA GLU A 513 -30.619 -7.162 -1.676 1.00 5.58 C ATOM 39 C GLU A 513 -29.527 -6.473 -2.489 1.00 5.26 C ATOM 40 O GLU A 513 -28.335 -6.741 -2.311 1.00 4.95 O ATOM 41 CB GLU A 513 -31.374 -8.192 -2.515 1.00 6.03 C ATOM 42 CG GLU A 513 -30.504 -9.099 -3.352 1.00 6.54 C ATOM 43 CD GLU A 513 -31.329 -10.109 -4.121 1.00 7.02 C ATOM 44 OE1 GLU A 513 -32.226 -9.692 -4.879 1.00 7.40 O ATOM 45 OE2 GLU A 513 -31.072 -11.329 -3.983 1.00 7.27 O ATOM 0 H GLU A 513 -32.529 -6.347 -1.494 1.00 5.73 H new ATOM 0 HA GLU A 513 -30.134 -7.669 -0.842 1.00 5.58 H new ATOM 0 HB2 GLU A 513 -31.978 -8.808 -1.849 1.00 6.03 H new ATOM 0 HB3 GLU A 513 -32.063 -7.665 -3.175 1.00 6.03 H new ATOM 0 HG2 GLU A 513 -29.918 -8.500 -4.050 1.00 6.54 H new ATOM 0 HG3 GLU A 513 -29.796 -9.621 -2.708 1.00 6.54 H new ATOM 52 N THR A 514 -29.944 -5.560 -3.360 1.00 5.38 N ATOM 53 CA THR A 514 -29.023 -4.768 -4.150 1.00 5.15 C ATOM 54 C THR A 514 -28.155 -3.893 -3.251 1.00 4.74 C ATOM 55 O THR A 514 -26.937 -3.848 -3.411 1.00 4.68 O ATOM 56 CB THR A 514 -29.790 -3.870 -5.134 1.00 5.39 C ATOM 57 OG1 THR A 514 -30.841 -4.622 -5.746 1.00 5.70 O ATOM 58 CG2 THR A 514 -28.862 -3.338 -6.206 1.00 5.67 C ATOM 0 H THR A 514 -30.927 -5.353 -3.534 1.00 5.38 H new ATOM 0 HA THR A 514 -28.386 -5.456 -4.706 1.00 5.15 H new ATOM 0 HB THR A 514 -30.208 -3.027 -4.583 1.00 5.39 H new ATOM 0 HG1 THR A 514 -31.331 -4.049 -6.372 1.00 5.70 H new ATOM 0 HG21 THR A 514 -29.424 -2.705 -6.892 1.00 5.67 H new ATOM 0 HG22 THR A 514 -28.067 -2.754 -5.742 1.00 5.67 H new ATOM 0 HG23 THR A 514 -28.426 -4.172 -6.756 1.00 5.67 H new ATOM 66 N CYS A 515 -28.791 -3.228 -2.291 1.00 4.56 N ATOM 67 CA CYS A 515 -28.089 -2.325 -1.384 1.00 4.21 C ATOM 68 C CYS A 515 -26.999 -3.062 -0.615 1.00 3.93 C ATOM 69 O CYS A 515 -25.869 -2.591 -0.521 1.00 3.56 O ATOM 70 CB CYS A 515 -29.068 -1.684 -0.401 1.00 4.40 C ATOM 71 SG CYS A 515 -30.503 -0.915 -1.189 1.00 4.96 S ATOM 0 H CYS A 515 -29.794 -3.298 -2.121 1.00 4.56 H new ATOM 0 HA CYS A 515 -27.624 -1.544 -1.986 1.00 4.21 H new ATOM 0 HB2 CYS A 515 -29.415 -2.444 0.299 1.00 4.40 H new ATOM 0 HB3 CYS A 515 -28.540 -0.930 0.183 1.00 4.40 H new ATOM 0 HG CYS A 515 -31.152 -1.809 -1.875 1.00 4.96 H new ATOM 77 N MET A 516 -27.336 -4.220 -0.070 1.00 4.13 N ATOM 78 CA MET A 516 -26.363 -5.025 0.653 1.00 3.95 C ATOM 79 C MET A 516 -25.242 -5.472 -0.282 1.00 3.70 C ATOM 80 O MET A 516 -24.074 -5.520 0.107 1.00 3.40 O ATOM 81 CB MET A 516 -27.042 -6.238 1.292 1.00 4.28 C ATOM 82 CG MET A 516 -26.091 -7.106 2.100 1.00 4.27 C ATOM 83 SD MET A 516 -26.930 -8.459 2.949 1.00 4.83 S ATOM 84 CE MET A 516 -27.576 -9.389 1.558 1.00 5.80 C ATOM 0 H MET A 516 -28.272 -4.623 -0.114 1.00 4.13 H new ATOM 0 HA MET A 516 -25.930 -4.415 1.446 1.00 3.95 H new ATOM 0 HB2 MET A 516 -27.848 -5.894 1.940 1.00 4.28 H new ATOM 0 HB3 MET A 516 -27.499 -6.844 0.509 1.00 4.28 H new ATOM 0 HG2 MET A 516 -25.329 -7.516 1.437 1.00 4.27 H new ATOM 0 HG3 MET A 516 -25.576 -6.487 2.834 1.00 4.27 H new ATOM 0 HE1 MET A 516 -27.851 -10.391 1.887 1.00 5.80 H new ATOM 0 HE2 MET A 516 -28.456 -8.884 1.160 1.00 5.80 H new ATOM 0 HE3 MET A 516 -26.814 -9.458 0.781 1.00 5.80 H new ATOM 94 N SER A 517 -25.601 -5.774 -1.522 1.00 3.87 N ATOM 95 CA SER A 517 -24.633 -6.226 -2.509 1.00 3.73 C ATOM 96 C SER A 517 -23.660 -5.103 -2.879 1.00 3.38 C ATOM 97 O SER A 517 -22.443 -5.309 -2.899 1.00 3.11 O ATOM 98 CB SER A 517 -25.363 -6.732 -3.760 1.00 4.09 C ATOM 99 OG SER A 517 -24.454 -7.210 -4.739 1.00 4.52 O ATOM 0 H SER A 517 -26.559 -5.714 -1.868 1.00 3.87 H new ATOM 0 HA SER A 517 -24.055 -7.042 -2.076 1.00 3.73 H new ATOM 0 HB2 SER A 517 -26.052 -7.530 -3.482 1.00 4.09 H new ATOM 0 HB3 SER A 517 -25.963 -5.926 -4.183 1.00 4.09 H new ATOM 0 HG SER A 517 -24.952 -7.526 -5.522 1.00 4.52 H new ATOM 105 N LEU A 518 -24.192 -3.918 -3.167 1.00 3.41 N ATOM 106 CA LEU A 518 -23.352 -2.789 -3.540 1.00 3.15 C ATOM 107 C LEU A 518 -22.503 -2.301 -2.371 1.00 2.83 C ATOM 108 O LEU A 518 -21.325 -2.006 -2.542 1.00 2.54 O ATOM 109 CB LEU A 518 -24.163 -1.633 -4.161 1.00 3.32 C ATOM 110 CG LEU A 518 -25.457 -1.200 -3.451 1.00 3.52 C ATOM 111 CD1 LEU A 518 -25.180 -0.247 -2.296 1.00 3.34 C ATOM 112 CD2 LEU A 518 -26.412 -0.558 -4.444 1.00 3.86 C ATOM 0 H LEU A 518 -25.192 -3.718 -3.149 1.00 3.41 H new ATOM 0 HA LEU A 518 -22.673 -3.154 -4.311 1.00 3.15 H new ATOM 0 HB2 LEU A 518 -23.510 -0.763 -4.226 1.00 3.32 H new ATOM 0 HB3 LEU A 518 -24.420 -1.915 -5.182 1.00 3.32 H new ATOM 0 HG LEU A 518 -25.918 -2.096 -3.035 1.00 3.52 H new ATOM 0 HD11 LEU A 518 -26.121 0.034 -1.822 1.00 3.34 H new ATOM 0 HD12 LEU A 518 -24.538 -0.738 -1.565 1.00 3.34 H new ATOM 0 HD13 LEU A 518 -24.683 0.647 -2.673 1.00 3.34 H new ATOM 0 HD21 LEU A 518 -27.324 -0.256 -3.929 1.00 3.86 H new ATOM 0 HD22 LEU A 518 -25.940 0.318 -4.889 1.00 3.86 H new ATOM 0 HD23 LEU A 518 -26.658 -1.275 -5.227 1.00 3.86 H new ATOM 124 N ALA A 519 -23.101 -2.231 -1.188 1.00 2.92 N ATOM 125 CA ALA A 519 -22.408 -1.724 -0.006 1.00 2.71 C ATOM 126 C ALA A 519 -21.203 -2.587 0.358 1.00 2.50 C ATOM 127 O ALA A 519 -20.127 -2.067 0.647 1.00 2.24 O ATOM 128 CB ALA A 519 -23.369 -1.637 1.167 1.00 2.96 C ATOM 0 H ALA A 519 -24.065 -2.519 -1.020 1.00 2.92 H new ATOM 0 HA ALA A 519 -22.038 -0.726 -0.241 1.00 2.71 H new ATOM 0 HB1 ALA A 519 -22.841 -1.258 2.042 1.00 2.96 H new ATOM 0 HB2 ALA A 519 -24.188 -0.963 0.917 1.00 2.96 H new ATOM 0 HB3 ALA A 519 -23.768 -2.628 1.385 1.00 2.96 H new ATOM 134 N SER A 520 -21.378 -3.903 0.325 1.00 2.66 N ATOM 135 CA SER A 520 -20.288 -4.817 0.629 1.00 2.54 C ATOM 136 C SER A 520 -19.216 -4.745 -0.456 1.00 2.31 C ATOM 137 O SER A 520 -18.022 -4.829 -0.171 1.00 2.10 O ATOM 138 CB SER A 520 -20.816 -6.242 0.783 1.00 2.83 C ATOM 139 OG SER A 520 -21.639 -6.606 -0.314 1.00 2.98 O ATOM 0 H SER A 520 -22.261 -4.358 0.092 1.00 2.66 H new ATOM 0 HA SER A 520 -19.834 -4.520 1.574 1.00 2.54 H new ATOM 0 HB2 SER A 520 -19.979 -6.936 0.859 1.00 2.83 H new ATOM 0 HB3 SER A 520 -21.384 -6.324 1.710 1.00 2.83 H new ATOM 0 HG SER A 520 -22.578 -6.440 -0.088 1.00 2.98 H new ATOM 145 N GLN A 521 -19.655 -4.565 -1.697 1.00 2.40 N ATOM 146 CA GLN A 521 -18.737 -4.397 -2.815 1.00 2.26 C ATOM 147 C GLN A 521 -17.897 -3.138 -2.614 1.00 1.95 C ATOM 148 O GLN A 521 -16.673 -3.175 -2.713 1.00 1.75 O ATOM 149 CB GLN A 521 -19.520 -4.313 -4.128 1.00 2.49 C ATOM 150 CG GLN A 521 -18.651 -4.148 -5.365 1.00 2.84 C ATOM 151 CD GLN A 521 -17.821 -5.381 -5.680 1.00 3.23 C ATOM 152 OE1 GLN A 521 -17.418 -6.132 -4.786 1.00 3.85 O ATOM 153 NE2 GLN A 521 -17.562 -5.601 -6.959 1.00 3.40 N ATOM 0 H GLN A 521 -20.642 -4.532 -1.953 1.00 2.40 H new ATOM 0 HA GLN A 521 -18.070 -5.258 -2.862 1.00 2.26 H new ATOM 0 HB2 GLN A 521 -20.120 -5.216 -4.238 1.00 2.49 H new ATOM 0 HB3 GLN A 521 -20.214 -3.474 -4.071 1.00 2.49 H new ATOM 0 HG2 GLN A 521 -19.287 -3.917 -6.220 1.00 2.84 H new ATOM 0 HG3 GLN A 521 -17.986 -3.296 -5.223 1.00 2.84 H new ATOM 0 HE21 GLN A 521 -17.913 -4.957 -7.668 1.00 3.40 H new ATOM 0 HE22 GLN A 521 -17.012 -6.414 -7.235 1.00 3.40 H new ATOM 162 N VAL A 522 -18.564 -2.035 -2.295 1.00 1.94 N ATOM 163 CA VAL A 522 -17.885 -0.770 -2.029 1.00 1.71 C ATOM 164 C VAL A 522 -16.921 -0.914 -0.854 1.00 1.52 C ATOM 165 O VAL A 522 -15.798 -0.405 -0.891 1.00 1.28 O ATOM 166 CB VAL A 522 -18.896 0.365 -1.741 1.00 1.86 C ATOM 167 CG1 VAL A 522 -18.182 1.634 -1.290 1.00 1.69 C ATOM 168 CG2 VAL A 522 -19.738 0.647 -2.977 1.00 2.07 C ATOM 0 H VAL A 522 -19.580 -1.990 -2.214 1.00 1.94 H new ATOM 0 HA VAL A 522 -17.321 -0.507 -2.924 1.00 1.71 H new ATOM 0 HB VAL A 522 -19.550 0.038 -0.933 1.00 1.86 H new ATOM 0 HG11 VAL A 522 -18.917 2.415 -1.095 1.00 1.69 H new ATOM 0 HG12 VAL A 522 -17.618 1.430 -0.380 1.00 1.69 H new ATOM 0 HG13 VAL A 522 -17.500 1.965 -2.073 1.00 1.69 H new ATOM 0 HG21 VAL A 522 -20.445 1.448 -2.761 1.00 2.07 H new ATOM 0 HG22 VAL A 522 -19.088 0.949 -3.799 1.00 2.07 H new ATOM 0 HG23 VAL A 522 -20.284 -0.253 -3.258 1.00 2.07 H new ATOM 178 N VAL A 523 -17.363 -1.627 0.174 1.00 1.66 N ATOM 179 CA VAL A 523 -16.541 -1.885 1.340 1.00 1.58 C ATOM 180 C VAL A 523 -15.292 -2.680 0.954 1.00 1.41 C ATOM 181 O VAL A 523 -14.191 -2.391 1.427 1.00 1.24 O ATOM 182 CB VAL A 523 -17.363 -2.628 2.422 1.00 1.85 C ATOM 183 CG1 VAL A 523 -16.473 -3.468 3.317 1.00 1.86 C ATOM 184 CG2 VAL A 523 -18.162 -1.634 3.248 1.00 1.98 C ATOM 0 H VAL A 523 -18.295 -2.038 0.220 1.00 1.66 H new ATOM 0 HA VAL A 523 -16.214 -0.932 1.755 1.00 1.58 H new ATOM 0 HB VAL A 523 -18.052 -3.303 1.915 1.00 1.85 H new ATOM 0 HG11 VAL A 523 -17.083 -3.975 4.064 1.00 1.86 H new ATOM 0 HG12 VAL A 523 -15.947 -4.209 2.715 1.00 1.86 H new ATOM 0 HG13 VAL A 523 -15.748 -2.825 3.816 1.00 1.86 H new ATOM 0 HG21 VAL A 523 -18.736 -2.168 4.005 1.00 1.98 H new ATOM 0 HG22 VAL A 523 -17.482 -0.935 3.734 1.00 1.98 H new ATOM 0 HG23 VAL A 523 -18.843 -1.085 2.598 1.00 1.98 H new ATOM 194 N LYS A 524 -15.461 -3.656 0.071 1.00 1.52 N ATOM 195 CA LYS A 524 -14.339 -4.453 -0.406 1.00 1.44 C ATOM 196 C LYS A 524 -13.386 -3.614 -1.247 1.00 1.21 C ATOM 197 O LYS A 524 -12.170 -3.767 -1.141 1.00 1.07 O ATOM 198 CB LYS A 524 -14.826 -5.661 -1.206 1.00 1.69 C ATOM 199 CG LYS A 524 -14.728 -6.966 -0.439 1.00 1.91 C ATOM 200 CD LYS A 524 -15.694 -6.995 0.728 1.00 2.09 C ATOM 201 CE LYS A 524 -15.390 -8.144 1.674 1.00 2.33 C ATOM 202 NZ LYS A 524 -15.424 -9.461 0.984 1.00 2.48 N ATOM 0 H LYS A 524 -16.363 -3.914 -0.329 1.00 1.52 H new ATOM 0 HA LYS A 524 -13.797 -4.813 0.469 1.00 1.44 H new ATOM 0 HB2 LYS A 524 -15.862 -5.498 -1.502 1.00 1.69 H new ATOM 0 HB3 LYS A 524 -14.241 -5.741 -2.122 1.00 1.69 H new ATOM 0 HG2 LYS A 524 -14.939 -7.800 -1.108 1.00 1.91 H new ATOM 0 HG3 LYS A 524 -13.710 -7.100 -0.074 1.00 1.91 H new ATOM 0 HD2 LYS A 524 -15.639 -6.051 1.271 1.00 2.09 H new ATOM 0 HD3 LYS A 524 -16.714 -7.089 0.355 1.00 2.09 H new ATOM 0 HE2 LYS A 524 -14.407 -7.995 2.121 1.00 2.33 H new ATOM 0 HE3 LYS A 524 -16.114 -8.143 2.489 1.00 2.33 H new ATOM 0 HZ1 LYS A 524 -15.346 -10.223 1.687 1.00 2.48 H new ATOM 0 HZ2 LYS A 524 -16.320 -9.558 0.466 1.00 2.48 H new ATOM 0 HZ3 LYS A 524 -14.629 -9.524 0.316 1.00 2.48 H new ATOM 216 N LEU A 525 -13.934 -2.735 -2.083 1.00 1.21 N ATOM 217 CA LEU A 525 -13.106 -1.853 -2.904 1.00 1.06 C ATOM 218 C LEU A 525 -12.318 -0.881 -2.037 1.00 0.82 C ATOM 219 O LEU A 525 -11.109 -0.738 -2.202 1.00 0.67 O ATOM 220 CB LEU A 525 -13.944 -1.072 -3.928 1.00 1.19 C ATOM 221 CG LEU A 525 -14.115 -1.749 -5.291 1.00 1.42 C ATOM 222 CD1 LEU A 525 -14.991 -2.984 -5.178 1.00 1.62 C ATOM 223 CD2 LEU A 525 -14.701 -0.768 -6.295 1.00 1.56 C ATOM 0 H LEU A 525 -14.939 -2.614 -2.210 1.00 1.21 H new ATOM 0 HA LEU A 525 -12.409 -2.490 -3.449 1.00 1.06 H new ATOM 0 HB2 LEU A 525 -14.932 -0.894 -3.503 1.00 1.19 H new ATOM 0 HB3 LEU A 525 -13.482 -0.096 -4.081 1.00 1.19 H new ATOM 0 HG LEU A 525 -13.133 -2.065 -5.643 1.00 1.42 H new ATOM 0 HD11 LEU A 525 -15.097 -3.446 -6.159 1.00 1.62 H new ATOM 0 HD12 LEU A 525 -14.532 -3.694 -4.490 1.00 1.62 H new ATOM 0 HD13 LEU A 525 -15.974 -2.700 -4.803 1.00 1.62 H new ATOM 0 HD21 LEU A 525 -14.818 -1.261 -7.260 1.00 1.56 H new ATOM 0 HD22 LEU A 525 -15.674 -0.425 -5.943 1.00 1.56 H new ATOM 0 HD23 LEU A 525 -14.032 0.086 -6.402 1.00 1.56 H new ATOM 235 N THR A 526 -12.998 -0.236 -1.096 1.00 0.84 N ATOM 236 CA THR A 526 -12.358 0.764 -0.249 1.00 0.73 C ATOM 237 C THR A 526 -11.303 0.118 0.648 1.00 0.62 C ATOM 238 O THR A 526 -10.235 0.690 0.878 1.00 0.52 O ATOM 239 CB THR A 526 -13.394 1.552 0.601 1.00 0.91 C ATOM 240 OG1 THR A 526 -12.824 2.789 1.043 1.00 1.14 O ATOM 241 CG2 THR A 526 -13.859 0.763 1.821 1.00 1.40 C ATOM 0 H THR A 526 -13.988 -0.386 -0.901 1.00 0.84 H new ATOM 0 HA THR A 526 -11.865 1.480 -0.907 1.00 0.73 H new ATOM 0 HB THR A 526 -14.258 1.734 -0.038 1.00 0.91 H new ATOM 0 HG1 THR A 526 -13.483 3.281 1.577 1.00 1.14 H new ATOM 0 HG21 THR A 526 -14.582 1.355 2.383 1.00 1.40 H new ATOM 0 HG22 THR A 526 -14.326 -0.167 1.497 1.00 1.40 H new ATOM 0 HG23 THR A 526 -13.003 0.537 2.456 1.00 1.40 H new ATOM 249 N LYS A 527 -11.589 -1.082 1.140 1.00 0.72 N ATOM 250 CA LYS A 527 -10.636 -1.802 1.965 1.00 0.71 C ATOM 251 C LYS A 527 -9.453 -2.250 1.119 1.00 0.55 C ATOM 252 O LYS A 527 -8.311 -2.203 1.561 1.00 0.47 O ATOM 253 CB LYS A 527 -11.299 -3.004 2.636 1.00 0.91 C ATOM 254 CG LYS A 527 -10.457 -3.617 3.739 1.00 1.04 C ATOM 255 CD LYS A 527 -10.203 -2.627 4.864 1.00 1.12 C ATOM 256 CE LYS A 527 -11.501 -2.174 5.519 1.00 1.24 C ATOM 257 NZ LYS A 527 -12.193 -3.281 6.236 1.00 1.60 N ATOM 0 H LYS A 527 -12.469 -1.572 0.981 1.00 0.72 H new ATOM 0 HA LYS A 527 -10.278 -1.133 2.748 1.00 0.71 H new ATOM 0 HB2 LYS A 527 -12.259 -2.696 3.050 1.00 0.91 H new ATOM 0 HB3 LYS A 527 -11.506 -3.763 1.882 1.00 0.91 H new ATOM 0 HG2 LYS A 527 -10.961 -4.498 4.136 1.00 1.04 H new ATOM 0 HG3 LYS A 527 -9.505 -3.953 3.327 1.00 1.04 H new ATOM 0 HD2 LYS A 527 -9.558 -3.085 5.613 1.00 1.12 H new ATOM 0 HD3 LYS A 527 -9.671 -1.760 4.473 1.00 1.12 H new ATOM 0 HE2 LYS A 527 -11.288 -1.368 6.221 1.00 1.24 H new ATOM 0 HE3 LYS A 527 -12.166 -1.767 4.757 1.00 1.24 H new ATOM 0 HZ1 LYS A 527 -13.005 -2.900 6.762 1.00 1.60 H new ATOM 0 HZ2 LYS A 527 -12.526 -3.986 5.548 1.00 1.60 H new ATOM 0 HZ3 LYS A 527 -11.531 -3.732 6.900 1.00 1.60 H new ATOM 271 N GLN A 528 -9.746 -2.662 -0.110 1.00 0.59 N ATOM 272 CA GLN A 528 -8.721 -3.092 -1.055 1.00 0.55 C ATOM 273 C GLN A 528 -7.758 -1.950 -1.344 1.00 0.40 C ATOM 274 O GLN A 528 -6.544 -2.126 -1.340 1.00 0.37 O ATOM 275 CB GLN A 528 -9.381 -3.549 -2.352 1.00 0.75 C ATOM 276 CG GLN A 528 -8.417 -4.058 -3.406 1.00 1.38 C ATOM 277 CD GLN A 528 -9.121 -4.370 -4.712 1.00 1.87 C ATOM 278 OE1 GLN A 528 -9.607 -5.482 -4.912 1.00 2.56 O ATOM 279 NE2 GLN A 528 -9.175 -3.401 -5.612 1.00 2.33 N ATOM 0 H GLN A 528 -10.696 -2.707 -0.478 1.00 0.59 H new ATOM 0 HA GLN A 528 -8.163 -3.920 -0.619 1.00 0.55 H new ATOM 0 HB2 GLN A 528 -10.097 -4.338 -2.122 1.00 0.75 H new ATOM 0 HB3 GLN A 528 -9.948 -2.716 -2.769 1.00 0.75 H new ATOM 0 HG2 GLN A 528 -7.642 -3.311 -3.580 1.00 1.38 H new ATOM 0 HG3 GLN A 528 -7.918 -4.955 -3.039 1.00 1.38 H new ATOM 0 HE21 GLN A 528 -8.760 -2.492 -5.408 1.00 2.33 H new ATOM 0 HE22 GLN A 528 -9.632 -3.563 -6.509 1.00 2.33 H new ATOM 288 N LEU A 529 -8.320 -0.773 -1.575 1.00 0.37 N ATOM 289 CA LEU A 529 -7.531 0.420 -1.853 1.00 0.33 C ATOM 290 C LEU A 529 -6.611 0.740 -0.683 1.00 0.22 C ATOM 291 O LEU A 529 -5.423 1.014 -0.865 1.00 0.26 O ATOM 292 CB LEU A 529 -8.466 1.603 -2.097 1.00 0.43 C ATOM 293 CG LEU A 529 -9.338 1.504 -3.344 1.00 0.58 C ATOM 294 CD1 LEU A 529 -10.345 2.635 -3.353 1.00 0.67 C ATOM 295 CD2 LEU A 529 -8.485 1.539 -4.601 1.00 0.69 C ATOM 0 H LEU A 529 -9.328 -0.617 -1.575 1.00 0.37 H new ATOM 0 HA LEU A 529 -6.923 0.236 -2.739 1.00 0.33 H new ATOM 0 HB2 LEU A 529 -9.115 1.716 -1.229 1.00 0.43 H new ATOM 0 HB3 LEU A 529 -7.866 2.510 -2.166 1.00 0.43 H new ATOM 0 HG LEU A 529 -9.871 0.553 -3.326 1.00 0.58 H new ATOM 0 HD11 LEU A 529 -10.967 2.562 -4.245 1.00 0.67 H new ATOM 0 HD12 LEU A 529 -10.975 2.569 -2.466 1.00 0.67 H new ATOM 0 HD13 LEU A 529 -9.820 3.590 -3.354 1.00 0.67 H new ATOM 0 HD21 LEU A 529 -9.127 1.467 -5.479 1.00 0.69 H new ATOM 0 HD22 LEU A 529 -7.926 2.474 -4.636 1.00 0.69 H new ATOM 0 HD23 LEU A 529 -7.788 0.701 -4.591 1.00 0.69 H new ATOM 307 N LYS A 530 -7.167 0.682 0.514 1.00 0.23 N ATOM 308 CA LYS A 530 -6.418 0.978 1.729 1.00 0.30 C ATOM 309 C LYS A 530 -5.381 -0.101 2.036 1.00 0.24 C ATOM 310 O LYS A 530 -4.228 0.217 2.329 1.00 0.29 O ATOM 311 CB LYS A 530 -7.381 1.170 2.897 1.00 0.47 C ATOM 312 CG LYS A 530 -8.226 2.423 2.743 1.00 1.14 C ATOM 313 CD LYS A 530 -9.332 2.502 3.777 1.00 1.72 C ATOM 314 CE LYS A 530 -10.127 3.791 3.625 1.00 2.36 C ATOM 315 NZ LYS A 530 -10.680 3.947 2.252 1.00 2.78 N ATOM 0 H LYS A 530 -8.142 0.431 0.674 1.00 0.23 H new ATOM 0 HA LYS A 530 -5.867 1.905 1.572 1.00 0.30 H new ATOM 0 HB2 LYS A 530 -8.034 0.301 2.974 1.00 0.47 H new ATOM 0 HB3 LYS A 530 -6.815 1.227 3.827 1.00 0.47 H new ATOM 0 HG2 LYS A 530 -7.587 3.302 2.830 1.00 1.14 H new ATOM 0 HG3 LYS A 530 -8.663 2.443 1.745 1.00 1.14 H new ATOM 0 HD2 LYS A 530 -9.997 1.645 3.670 1.00 1.72 H new ATOM 0 HD3 LYS A 530 -8.904 2.450 4.778 1.00 1.72 H new ATOM 0 HE2 LYS A 530 -10.943 3.801 4.348 1.00 2.36 H new ATOM 0 HE3 LYS A 530 -9.486 4.642 3.856 1.00 2.36 H new ATOM 0 HZ1 LYS A 530 -11.171 4.861 2.177 1.00 2.78 H new ATOM 0 HZ2 LYS A 530 -9.905 3.913 1.560 1.00 2.78 H new ATOM 0 HZ3 LYS A 530 -11.351 3.177 2.059 1.00 2.78 H new ATOM 329 N GLU A 531 -5.776 -1.370 1.949 1.00 0.21 N ATOM 330 CA GLU A 531 -4.845 -2.470 2.183 1.00 0.26 C ATOM 331 C GLU A 531 -3.719 -2.451 1.156 1.00 0.23 C ATOM 332 O GLU A 531 -2.569 -2.754 1.480 1.00 0.26 O ATOM 333 CB GLU A 531 -5.558 -3.826 2.157 1.00 0.37 C ATOM 334 CG GLU A 531 -6.404 -4.099 3.391 1.00 0.50 C ATOM 335 CD GLU A 531 -6.912 -5.527 3.439 1.00 0.68 C ATOM 336 OE1 GLU A 531 -6.141 -6.456 3.117 1.00 1.00 O ATOM 337 OE2 GLU A 531 -8.093 -5.729 3.796 1.00 0.98 O ATOM 0 H GLU A 531 -6.727 -1.660 1.720 1.00 0.21 H new ATOM 0 HA GLU A 531 -4.420 -2.331 3.177 1.00 0.26 H new ATOM 0 HB2 GLU A 531 -6.195 -3.874 1.274 1.00 0.37 H new ATOM 0 HB3 GLU A 531 -4.813 -4.616 2.057 1.00 0.37 H new ATOM 0 HG2 GLU A 531 -5.814 -3.896 4.285 1.00 0.50 H new ATOM 0 HG3 GLU A 531 -7.252 -3.414 3.406 1.00 0.50 H new ATOM 344 N GLN A 532 -4.051 -2.090 -0.078 1.00 0.23 N ATOM 345 CA GLN A 532 -3.051 -1.940 -1.127 1.00 0.32 C ATOM 346 C GLN A 532 -2.060 -0.843 -0.757 1.00 0.33 C ATOM 347 O GLN A 532 -0.855 -0.999 -0.917 1.00 0.41 O ATOM 348 CB GLN A 532 -3.716 -1.601 -2.462 1.00 0.40 C ATOM 349 CG GLN A 532 -2.737 -1.464 -3.619 1.00 0.97 C ATOM 350 CD GLN A 532 -3.387 -0.930 -4.883 1.00 1.51 C ATOM 351 OE1 GLN A 532 -2.976 -1.266 -5.996 1.00 2.20 O ATOM 352 NE2 GLN A 532 -4.394 -0.082 -4.728 1.00 2.06 N ATOM 0 H GLN A 532 -5.007 -1.896 -0.376 1.00 0.23 H new ATOM 0 HA GLN A 532 -2.520 -2.886 -1.228 1.00 0.32 H new ATOM 0 HB2 GLN A 532 -4.442 -2.377 -2.703 1.00 0.40 H new ATOM 0 HB3 GLN A 532 -4.270 -0.668 -2.355 1.00 0.40 H new ATOM 0 HG2 GLN A 532 -1.925 -0.798 -3.325 1.00 0.97 H new ATOM 0 HG3 GLN A 532 -2.292 -2.437 -3.829 1.00 0.97 H new ATOM 0 HE21 GLN A 532 -4.707 0.173 -3.791 1.00 2.06 H new ATOM 0 HE22 GLN A 532 -4.856 0.316 -5.546 1.00 2.06 H new ATOM 361 N THR A 533 -2.578 0.263 -0.241 1.00 0.29 N ATOM 362 CA THR A 533 -1.742 1.402 0.104 1.00 0.36 C ATOM 363 C THR A 533 -0.798 1.064 1.258 1.00 0.35 C ATOM 364 O THR A 533 0.395 1.347 1.188 1.00 0.41 O ATOM 365 CB THR A 533 -2.591 2.633 0.481 1.00 0.41 C ATOM 366 OG1 THR A 533 -3.559 2.903 -0.544 1.00 0.45 O ATOM 367 CG2 THR A 533 -1.707 3.856 0.669 1.00 0.53 C ATOM 0 H THR A 533 -3.572 0.395 -0.053 1.00 0.29 H new ATOM 0 HA THR A 533 -1.152 1.641 -0.781 1.00 0.36 H new ATOM 0 HB THR A 533 -3.104 2.415 1.418 1.00 0.41 H new ATOM 0 HG1 THR A 533 -4.286 2.248 -0.488 1.00 0.45 H new ATOM 0 HG21 THR A 533 -2.325 4.714 0.935 1.00 0.53 H new ATOM 0 HG22 THR A 533 -0.988 3.666 1.466 1.00 0.53 H new ATOM 0 HG23 THR A 533 -1.174 4.066 -0.258 1.00 0.53 H new ATOM 375 N VAL A 534 -1.327 0.440 2.309 1.00 0.29 N ATOM 376 CA VAL A 534 -0.528 0.148 3.493 1.00 0.32 C ATOM 377 C VAL A 534 0.614 -0.826 3.183 1.00 0.32 C ATOM 378 O VAL A 534 1.724 -0.664 3.691 1.00 0.35 O ATOM 379 CB VAL A 534 -1.379 -0.383 4.672 1.00 0.32 C ATOM 380 CG1 VAL A 534 -2.379 0.671 5.120 1.00 0.36 C ATOM 381 CG2 VAL A 534 -2.097 -1.670 4.308 1.00 0.28 C ATOM 0 H VAL A 534 -2.297 0.130 2.363 1.00 0.29 H new ATOM 0 HA VAL A 534 -0.097 1.100 3.802 1.00 0.32 H new ATOM 0 HB VAL A 534 -0.701 -0.603 5.497 1.00 0.32 H new ATOM 0 HG11 VAL A 534 -2.970 0.283 5.950 1.00 0.36 H new ATOM 0 HG12 VAL A 534 -1.845 1.565 5.442 1.00 0.36 H new ATOM 0 HG13 VAL A 534 -3.040 0.922 4.290 1.00 0.36 H new ATOM 0 HG21 VAL A 534 -2.684 -2.013 5.160 1.00 0.28 H new ATOM 0 HG22 VAL A 534 -2.758 -1.490 3.460 1.00 0.28 H new ATOM 0 HG23 VAL A 534 -1.365 -2.432 4.042 1.00 0.28 H new ATOM 391 N GLU A 535 0.358 -1.829 2.350 1.00 0.29 N ATOM 392 CA GLU A 535 1.416 -2.744 1.956 1.00 0.32 C ATOM 393 C GLU A 535 2.373 -2.067 0.979 1.00 0.36 C ATOM 394 O GLU A 535 3.567 -2.330 1.000 1.00 0.39 O ATOM 395 CB GLU A 535 0.854 -4.031 1.351 1.00 0.34 C ATOM 396 CG GLU A 535 0.044 -3.825 0.087 1.00 0.36 C ATOM 397 CD GLU A 535 -0.236 -5.125 -0.636 1.00 0.54 C ATOM 398 OE1 GLU A 535 -1.041 -5.929 -0.125 1.00 0.81 O ATOM 399 OE2 GLU A 535 0.337 -5.344 -1.728 1.00 0.69 O ATOM 0 H GLU A 535 -0.556 -2.025 1.942 1.00 0.29 H new ATOM 0 HA GLU A 535 1.967 -3.017 2.856 1.00 0.32 H new ATOM 0 HB2 GLU A 535 1.681 -4.707 1.132 1.00 0.34 H new ATOM 0 HB3 GLU A 535 0.227 -4.524 2.094 1.00 0.34 H new ATOM 0 HG2 GLU A 535 -0.900 -3.341 0.338 1.00 0.36 H new ATOM 0 HG3 GLU A 535 0.581 -3.150 -0.579 1.00 0.36 H new ATOM 406 N ARG A 536 1.845 -1.179 0.139 1.00 0.38 N ATOM 407 CA ARG A 536 2.661 -0.467 -0.841 1.00 0.44 C ATOM 408 C ARG A 536 3.619 0.508 -0.157 1.00 0.46 C ATOM 409 O ARG A 536 4.786 0.588 -0.527 1.00 0.49 O ATOM 410 CB ARG A 536 1.771 0.255 -1.861 1.00 0.49 C ATOM 411 CG ARG A 536 2.543 1.090 -2.870 1.00 0.59 C ATOM 412 CD ARG A 536 2.499 2.565 -2.512 1.00 0.65 C ATOM 413 NE ARG A 536 1.208 3.166 -2.840 1.00 0.70 N ATOM 414 CZ ARG A 536 0.794 4.343 -2.379 1.00 0.93 C ATOM 415 NH1 ARG A 536 1.556 5.045 -1.549 1.00 1.38 N ATOM 416 NH2 ARG A 536 -0.382 4.819 -2.764 1.00 0.94 N ATOM 0 H ARG A 536 0.855 -0.936 0.118 1.00 0.38 H new ATOM 0 HA ARG A 536 3.265 -1.200 -1.376 1.00 0.44 H new ATOM 0 HB2 ARG A 536 1.175 -0.484 -2.396 1.00 0.49 H new ATOM 0 HB3 ARG A 536 1.074 0.901 -1.327 1.00 0.49 H new ATOM 0 HG2 ARG A 536 3.579 0.753 -2.908 1.00 0.59 H new ATOM 0 HG3 ARG A 536 2.123 0.942 -3.865 1.00 0.59 H new ATOM 0 HD2 ARG A 536 2.696 2.686 -1.447 1.00 0.65 H new ATOM 0 HD3 ARG A 536 3.291 3.092 -3.045 1.00 0.65 H new ATOM 0 HE ARG A 536 0.585 2.650 -3.462 1.00 0.70 H new ATOM 0 HH11 ARG A 536 2.465 4.682 -1.261 1.00 1.38 H new ATOM 0 HH12 ARG A 536 1.233 5.947 -1.199 1.00 1.38 H new ATOM 0 HH21 ARG A 536 -0.962 4.283 -3.409 1.00 0.94 H new ATOM 0 HH22 ARG A 536 -0.706 5.721 -2.415 1.00 0.94 H new ATOM 430 N VAL A 537 3.137 1.240 0.844 1.00 0.45 N ATOM 431 CA VAL A 537 4.003 2.151 1.593 1.00 0.49 C ATOM 432 C VAL A 537 5.057 1.359 2.357 1.00 0.45 C ATOM 433 O VAL A 537 6.218 1.756 2.438 1.00 0.48 O ATOM 434 CB VAL A 537 3.219 3.065 2.564 1.00 0.51 C ATOM 435 CG1 VAL A 537 2.208 3.890 1.794 1.00 0.55 C ATOM 436 CG2 VAL A 537 2.531 2.266 3.660 1.00 0.47 C ATOM 0 H VAL A 537 2.165 1.223 1.154 1.00 0.45 H new ATOM 0 HA VAL A 537 4.484 2.803 0.864 1.00 0.49 H new ATOM 0 HB VAL A 537 3.933 3.731 3.048 1.00 0.51 H new ATOM 0 HG11 VAL A 537 1.660 4.531 2.485 1.00 0.55 H new ATOM 0 HG12 VAL A 537 2.726 4.507 1.059 1.00 0.55 H new ATOM 0 HG13 VAL A 537 1.510 3.226 1.283 1.00 0.55 H new ATOM 0 HG21 VAL A 537 1.991 2.944 4.321 1.00 0.47 H new ATOM 0 HG22 VAL A 537 1.830 1.562 3.212 1.00 0.47 H new ATOM 0 HG23 VAL A 537 3.278 1.718 4.234 1.00 0.47 H new ATOM 446 N THR A 538 4.639 0.231 2.907 1.00 0.40 N ATOM 447 CA THR A 538 5.546 -0.675 3.578 1.00 0.38 C ATOM 448 C THR A 538 6.557 -1.244 2.580 1.00 0.36 C ATOM 449 O THR A 538 7.738 -1.396 2.892 1.00 0.34 O ATOM 450 CB THR A 538 4.764 -1.810 4.262 1.00 0.35 C ATOM 451 OG1 THR A 538 3.889 -1.268 5.263 1.00 0.36 O ATOM 452 CG2 THR A 538 5.702 -2.822 4.889 1.00 0.36 C ATOM 0 H THR A 538 3.667 -0.078 2.899 1.00 0.40 H new ATOM 0 HA THR A 538 6.088 -0.123 4.345 1.00 0.38 H new ATOM 0 HB THR A 538 4.173 -2.321 3.502 1.00 0.35 H new ATOM 0 HG1 THR A 538 3.078 -0.922 4.836 1.00 0.36 H new ATOM 0 HG21 THR A 538 5.120 -3.612 5.364 1.00 0.36 H new ATOM 0 HG22 THR A 538 6.339 -3.255 4.117 1.00 0.36 H new ATOM 0 HG23 THR A 538 6.323 -2.328 5.637 1.00 0.36 H new ATOM 460 N LEU A 539 6.087 -1.530 1.369 1.00 0.37 N ATOM 461 CA LEU A 539 6.945 -1.990 0.293 1.00 0.37 C ATOM 462 C LEU A 539 7.976 -0.915 -0.037 1.00 0.38 C ATOM 463 O LEU A 539 9.132 -1.217 -0.300 1.00 0.35 O ATOM 464 CB LEU A 539 6.062 -2.351 -0.920 1.00 0.42 C ATOM 465 CG LEU A 539 6.753 -2.637 -2.262 1.00 0.47 C ATOM 466 CD1 LEU A 539 7.141 -1.342 -2.951 1.00 0.52 C ATOM 467 CD2 LEU A 539 7.970 -3.529 -2.075 1.00 0.44 C ATOM 0 H LEU A 539 5.103 -1.448 1.111 1.00 0.37 H new ATOM 0 HA LEU A 539 7.497 -2.882 0.588 1.00 0.37 H new ATOM 0 HB2 LEU A 539 5.474 -3.230 -0.654 1.00 0.42 H new ATOM 0 HB3 LEU A 539 5.359 -1.533 -1.075 1.00 0.42 H new ATOM 0 HG LEU A 539 6.043 -3.167 -2.897 1.00 0.47 H new ATOM 0 HD11 LEU A 539 7.629 -1.567 -3.899 1.00 0.52 H new ATOM 0 HD12 LEU A 539 6.247 -0.746 -3.135 1.00 0.52 H new ATOM 0 HD13 LEU A 539 7.826 -0.782 -2.314 1.00 0.52 H new ATOM 0 HD21 LEU A 539 8.438 -3.714 -3.042 1.00 0.44 H new ATOM 0 HD22 LEU A 539 8.684 -3.037 -1.415 1.00 0.44 H new ATOM 0 HD23 LEU A 539 7.662 -4.477 -1.634 1.00 0.44 H new ATOM 479 N GLN A 540 7.544 0.336 -0.015 1.00 0.43 N ATOM 480 CA GLN A 540 8.446 1.465 -0.211 1.00 0.45 C ATOM 481 C GLN A 540 9.550 1.465 0.838 1.00 0.35 C ATOM 482 O GLN A 540 10.691 1.796 0.545 1.00 0.30 O ATOM 483 CB GLN A 540 7.684 2.782 -0.145 1.00 0.58 C ATOM 484 CG GLN A 540 6.668 2.950 -1.253 1.00 0.69 C ATOM 485 CD GLN A 540 7.321 3.038 -2.612 1.00 0.73 C ATOM 486 OE1 GLN A 540 7.490 2.034 -3.305 1.00 1.05 O ATOM 487 NE2 GLN A 540 7.713 4.240 -2.994 1.00 1.55 N ATOM 0 H GLN A 540 6.570 0.598 0.137 1.00 0.43 H new ATOM 0 HA GLN A 540 8.895 1.362 -1.199 1.00 0.45 H new ATOM 0 HB2 GLN A 540 7.175 2.850 0.817 1.00 0.58 H new ATOM 0 HB3 GLN A 540 8.396 3.606 -0.188 1.00 0.58 H new ATOM 0 HG2 GLN A 540 5.974 2.110 -1.238 1.00 0.69 H new ATOM 0 HG3 GLN A 540 6.082 3.851 -1.074 1.00 0.69 H new ATOM 0 HE21 GLN A 540 7.553 5.045 -2.388 1.00 1.55 H new ATOM 0 HE22 GLN A 540 8.176 4.363 -3.895 1.00 1.55 H new ATOM 496 N ASN A 541 9.200 1.095 2.061 1.00 0.37 N ATOM 497 CA ASN A 541 10.188 0.976 3.134 1.00 0.34 C ATOM 498 C ASN A 541 11.140 -0.183 2.840 1.00 0.25 C ATOM 499 O ASN A 541 12.344 -0.089 3.077 1.00 0.25 O ATOM 500 CB ASN A 541 9.490 0.762 4.481 1.00 0.42 C ATOM 501 CG ASN A 541 10.445 0.777 5.663 1.00 0.49 C ATOM 502 OD1 ASN A 541 10.228 0.078 6.653 1.00 1.08 O ATOM 503 ND2 ASN A 541 11.492 1.587 5.586 1.00 1.21 N ATOM 0 H ASN A 541 8.244 0.872 2.339 1.00 0.37 H new ATOM 0 HA ASN A 541 10.763 1.901 3.187 1.00 0.34 H new ATOM 0 HB2 ASN A 541 8.739 1.539 4.620 1.00 0.42 H new ATOM 0 HB3 ASN A 541 8.962 -0.192 4.461 1.00 0.42 H new ATOM 0 HD21 ASN A 541 12.150 1.646 6.363 1.00 1.21 H new ATOM 0 HD22 ASN A 541 11.640 2.151 4.749 1.00 1.21 H new ATOM 510 N GLN A 542 10.593 -1.268 2.308 1.00 0.22 N ATOM 511 CA GLN A 542 11.401 -2.408 1.888 1.00 0.21 C ATOM 512 C GLN A 542 12.292 -2.002 0.715 1.00 0.18 C ATOM 513 O GLN A 542 13.454 -2.392 0.633 1.00 0.24 O ATOM 514 CB GLN A 542 10.506 -3.587 1.482 1.00 0.27 C ATOM 515 CG GLN A 542 9.484 -3.982 2.539 1.00 0.33 C ATOM 516 CD GLN A 542 10.119 -4.517 3.806 1.00 1.18 C ATOM 517 OE1 GLN A 542 10.439 -3.764 4.723 1.00 1.94 O ATOM 518 NE2 GLN A 542 10.281 -5.827 3.881 1.00 1.98 N ATOM 0 H GLN A 542 9.591 -1.384 2.156 1.00 0.22 H new ATOM 0 HA GLN A 542 12.024 -2.722 2.726 1.00 0.21 H new ATOM 0 HB2 GLN A 542 9.981 -3.331 0.562 1.00 0.27 H new ATOM 0 HB3 GLN A 542 11.136 -4.449 1.261 1.00 0.27 H new ATOM 0 HG2 GLN A 542 8.870 -3.115 2.785 1.00 0.33 H new ATOM 0 HG3 GLN A 542 8.817 -4.739 2.126 1.00 0.33 H new ATOM 0 HE21 GLN A 542 10.003 -6.421 3.099 1.00 1.98 H new ATOM 0 HE22 GLN A 542 10.683 -6.244 4.720 1.00 1.98 H new ATOM 527 N LEU A 543 11.731 -1.204 -0.187 1.00 0.19 N ATOM 528 CA LEU A 543 12.467 -0.679 -1.327 1.00 0.23 C ATOM 529 C LEU A 543 13.523 0.310 -0.854 1.00 0.16 C ATOM 530 O LEU A 543 14.596 0.418 -1.443 1.00 0.24 O ATOM 531 CB LEU A 543 11.502 -0.015 -2.321 1.00 0.34 C ATOM 532 CG LEU A 543 12.112 0.398 -3.667 1.00 0.46 C ATOM 533 CD1 LEU A 543 11.048 0.385 -4.749 1.00 0.61 C ATOM 534 CD2 LEU A 543 12.747 1.780 -3.589 1.00 0.43 C ATOM 0 H LEU A 543 10.757 -0.905 -0.147 1.00 0.19 H new ATOM 0 HA LEU A 543 12.969 -1.501 -1.837 1.00 0.23 H new ATOM 0 HB2 LEU A 543 10.678 -0.702 -2.512 1.00 0.34 H new ATOM 0 HB3 LEU A 543 11.076 0.871 -1.849 1.00 0.34 H new ATOM 0 HG LEU A 543 12.892 -0.322 -3.913 1.00 0.46 H new ATOM 0 HD11 LEU A 543 11.492 0.680 -5.700 1.00 0.61 H new ATOM 0 HD12 LEU A 543 10.632 -0.619 -4.838 1.00 0.61 H new ATOM 0 HD13 LEU A 543 10.254 1.085 -4.487 1.00 0.61 H new ATOM 0 HD21 LEU A 543 13.169 2.042 -4.559 1.00 0.43 H new ATOM 0 HD22 LEU A 543 11.989 2.514 -3.313 1.00 0.43 H new ATOM 0 HD23 LEU A 543 13.537 1.775 -2.838 1.00 0.43 H new ATOM 546 N GLN A 544 13.209 1.031 0.210 1.00 0.11 N ATOM 547 CA GLN A 544 14.152 1.941 0.817 1.00 0.20 C ATOM 548 C GLN A 544 15.367 1.161 1.304 1.00 0.29 C ATOM 549 O GLN A 544 16.503 1.532 1.038 1.00 0.37 O ATOM 550 CB GLN A 544 13.486 2.676 1.975 1.00 0.32 C ATOM 551 CG GLN A 544 14.361 3.749 2.576 1.00 0.49 C ATOM 552 CD GLN A 544 13.819 4.279 3.885 1.00 0.78 C ATOM 553 OE1 GLN A 544 13.011 5.209 3.909 1.00 1.34 O ATOM 554 NE2 GLN A 544 14.283 3.710 4.985 1.00 1.64 N ATOM 0 H GLN A 544 12.299 0.999 0.670 1.00 0.11 H new ATOM 0 HA GLN A 544 14.478 2.677 0.082 1.00 0.20 H new ATOM 0 HB2 GLN A 544 12.557 3.126 1.625 1.00 0.32 H new ATOM 0 HB3 GLN A 544 13.220 1.956 2.749 1.00 0.32 H new ATOM 0 HG2 GLN A 544 15.362 3.348 2.738 1.00 0.49 H new ATOM 0 HG3 GLN A 544 14.458 4.572 1.868 1.00 0.49 H new ATOM 0 HE21 GLN A 544 14.951 2.942 4.919 1.00 1.64 H new ATOM 0 HE22 GLN A 544 13.973 4.039 5.899 1.00 1.64 H new ATOM 563 N GLN A 545 15.109 0.055 1.985 1.00 0.33 N ATOM 564 CA GLN A 545 16.171 -0.847 2.413 1.00 0.47 C ATOM 565 C GLN A 545 16.880 -1.446 1.202 1.00 0.50 C ATOM 566 O GLN A 545 18.081 -1.698 1.233 1.00 0.63 O ATOM 567 CB GLN A 545 15.599 -1.954 3.292 1.00 0.53 C ATOM 568 CG GLN A 545 15.102 -1.459 4.638 1.00 1.16 C ATOM 569 CD GLN A 545 14.425 -2.546 5.451 1.00 1.53 C ATOM 570 OE1 GLN A 545 13.548 -2.270 6.269 1.00 1.91 O ATOM 571 NE2 GLN A 545 14.824 -3.790 5.228 1.00 2.20 N ATOM 0 H GLN A 545 14.171 -0.241 2.255 1.00 0.33 H new ATOM 0 HA GLN A 545 16.898 -0.279 2.994 1.00 0.47 H new ATOM 0 HB2 GLN A 545 14.777 -2.438 2.765 1.00 0.53 H new ATOM 0 HB3 GLN A 545 16.365 -2.713 3.452 1.00 0.53 H new ATOM 0 HG2 GLN A 545 15.942 -1.058 5.205 1.00 1.16 H new ATOM 0 HG3 GLN A 545 14.401 -0.639 4.482 1.00 1.16 H new ATOM 0 HE21 GLN A 545 15.554 -3.976 4.541 1.00 2.20 H new ATOM 0 HE22 GLN A 545 14.401 -4.562 5.744 1.00 2.20 H new ATOM 580 N PHE A 546 16.123 -1.661 0.134 1.00 0.42 N ATOM 581 CA PHE A 546 16.667 -2.167 -1.115 1.00 0.53 C ATOM 582 C PHE A 546 17.669 -1.170 -1.717 1.00 0.61 C ATOM 583 O PHE A 546 18.777 -1.554 -2.090 1.00 0.77 O ATOM 584 CB PHE A 546 15.510 -2.489 -2.077 1.00 0.54 C ATOM 585 CG PHE A 546 15.810 -2.316 -3.535 1.00 0.68 C ATOM 586 CD1 PHE A 546 16.559 -3.248 -4.230 1.00 1.26 C ATOM 587 CD2 PHE A 546 15.311 -1.218 -4.214 1.00 0.93 C ATOM 588 CE1 PHE A 546 16.806 -3.086 -5.579 1.00 1.38 C ATOM 589 CE2 PHE A 546 15.555 -1.046 -5.555 1.00 1.03 C ATOM 590 CZ PHE A 546 16.303 -1.982 -6.244 1.00 0.99 C ATOM 0 H PHE A 546 15.118 -1.490 0.111 1.00 0.42 H new ATOM 0 HA PHE A 546 17.221 -3.088 -0.931 1.00 0.53 H new ATOM 0 HB2 PHE A 546 15.198 -3.520 -1.909 1.00 0.54 H new ATOM 0 HB3 PHE A 546 14.662 -1.854 -1.821 1.00 0.54 H new ATOM 0 HD1 PHE A 546 16.954 -4.110 -3.713 1.00 1.26 H new ATOM 0 HD2 PHE A 546 14.721 -0.486 -3.682 1.00 0.93 H new ATOM 0 HE1 PHE A 546 17.391 -3.820 -6.114 1.00 1.38 H new ATOM 0 HE2 PHE A 546 15.163 -0.181 -6.070 1.00 1.03 H new ATOM 0 HZ PHE A 546 16.494 -1.852 -7.299 1.00 0.99 H new ATOM 600 N LEU A 547 17.282 0.102 -1.807 1.00 0.53 N ATOM 601 CA LEU A 547 18.195 1.142 -2.272 1.00 0.64 C ATOM 602 C LEU A 547 19.352 1.320 -1.290 1.00 0.74 C ATOM 603 O LEU A 547 20.492 1.548 -1.695 1.00 0.89 O ATOM 604 CB LEU A 547 17.445 2.465 -2.527 1.00 0.59 C ATOM 605 CG LEU A 547 16.904 3.220 -1.304 1.00 0.50 C ATOM 606 CD1 LEU A 547 17.965 4.135 -0.703 1.00 0.66 C ATOM 607 CD2 LEU A 547 15.666 4.020 -1.686 1.00 0.46 C ATOM 0 H LEU A 547 16.348 0.434 -1.565 1.00 0.53 H new ATOM 0 HA LEU A 547 18.620 0.828 -3.225 1.00 0.64 H new ATOM 0 HB2 LEU A 547 18.116 3.134 -3.065 1.00 0.59 H new ATOM 0 HB3 LEU A 547 16.606 2.254 -3.190 1.00 0.59 H new ATOM 0 HG LEU A 547 16.631 2.485 -0.547 1.00 0.50 H new ATOM 0 HD11 LEU A 547 17.550 4.655 0.161 1.00 0.66 H new ATOM 0 HD12 LEU A 547 18.824 3.541 -0.391 1.00 0.66 H new ATOM 0 HD13 LEU A 547 18.281 4.865 -1.449 1.00 0.66 H new ATOM 0 HD21 LEU A 547 15.292 4.551 -0.811 1.00 0.46 H new ATOM 0 HD22 LEU A 547 15.923 4.739 -2.464 1.00 0.46 H new ATOM 0 HD23 LEU A 547 14.896 3.344 -2.057 1.00 0.46 H new ATOM 619 N GLU A 548 19.049 1.210 0.001 1.00 0.69 N ATOM 620 CA GLU A 548 20.074 1.242 1.044 1.00 0.85 C ATOM 621 C GLU A 548 21.090 0.121 0.835 1.00 0.97 C ATOM 622 O GLU A 548 22.285 0.292 1.082 1.00 1.12 O ATOM 623 CB GLU A 548 19.449 1.127 2.442 1.00 0.87 C ATOM 624 CG GLU A 548 18.744 2.391 2.911 1.00 0.88 C ATOM 625 CD GLU A 548 18.080 2.227 4.269 1.00 1.55 C ATOM 626 OE1 GLU A 548 18.763 1.806 5.227 1.00 1.98 O ATOM 627 OE2 GLU A 548 16.868 2.518 4.386 1.00 2.23 O ATOM 0 H GLU A 548 18.098 1.097 0.352 1.00 0.69 H new ATOM 0 HA GLU A 548 20.585 2.202 0.974 1.00 0.85 H new ATOM 0 HB2 GLU A 548 18.735 0.304 2.443 1.00 0.87 H new ATOM 0 HB3 GLU A 548 20.230 0.872 3.158 1.00 0.87 H new ATOM 0 HG2 GLU A 548 19.465 3.207 2.961 1.00 0.88 H new ATOM 0 HG3 GLU A 548 17.991 2.676 2.176 1.00 0.88 H new ATOM 634 N ALA A 549 20.605 -1.025 0.375 1.00 0.93 N ATOM 635 CA ALA A 549 21.468 -2.150 0.051 1.00 1.09 C ATOM 636 C ALA A 549 22.335 -1.834 -1.162 1.00 1.20 C ATOM 637 O ALA A 549 23.499 -2.225 -1.220 1.00 1.35 O ATOM 638 CB ALA A 549 20.637 -3.399 -0.192 1.00 1.06 C ATOM 0 H ALA A 549 19.612 -1.199 0.218 1.00 0.93 H new ATOM 0 HA ALA A 549 22.128 -2.334 0.898 1.00 1.09 H new ATOM 0 HB1 ALA A 549 21.296 -4.233 -0.433 1.00 1.06 H new ATOM 0 HB2 ALA A 549 20.065 -3.636 0.705 1.00 1.06 H new ATOM 0 HB3 ALA A 549 19.953 -3.225 -1.022 1.00 1.06 H new ATOM 644 N GLN A 550 21.771 -1.104 -2.122 1.00 1.15 N ATOM 645 CA GLN A 550 22.528 -0.670 -3.294 1.00 1.31 C ATOM 646 C GLN A 550 23.635 0.281 -2.870 1.00 1.43 C ATOM 647 O GLN A 550 24.711 0.313 -3.469 1.00 1.65 O ATOM 648 CB GLN A 550 21.622 0.012 -4.319 1.00 1.26 C ATOM 649 CG GLN A 550 20.484 -0.863 -4.793 1.00 1.20 C ATOM 650 CD GLN A 550 19.703 -0.249 -5.939 1.00 1.71 C ATOM 651 OE1 GLN A 550 19.164 -0.963 -6.782 1.00 2.38 O ATOM 652 NE2 GLN A 550 19.638 1.074 -5.988 1.00 2.29 N ATOM 0 H GLN A 550 20.797 -0.802 -2.112 1.00 1.15 H new ATOM 0 HA GLN A 550 22.964 -1.553 -3.762 1.00 1.31 H new ATOM 0 HB2 GLN A 550 21.212 0.922 -3.881 1.00 1.26 H new ATOM 0 HB3 GLN A 550 22.221 0.313 -5.178 1.00 1.26 H new ATOM 0 HG2 GLN A 550 20.881 -1.828 -5.107 1.00 1.20 H new ATOM 0 HG3 GLN A 550 19.807 -1.053 -3.960 1.00 1.20 H new ATOM 0 HE21 GLN A 550 20.098 1.634 -5.270 1.00 2.29 H new ATOM 0 HE22 GLN A 550 19.128 1.532 -6.743 1.00 2.29 H new ATOM 661 N LYS A 551 23.356 1.057 -1.835 1.00 1.33 N ATOM 662 CA LYS A 551 24.365 1.910 -1.226 1.00 1.50 C ATOM 663 C LYS A 551 25.483 1.059 -0.652 1.00 1.72 C ATOM 664 O LYS A 551 26.655 1.339 -0.873 1.00 2.01 O ATOM 665 CB LYS A 551 23.749 2.774 -0.127 1.00 1.43 C ATOM 666 CG LYS A 551 22.669 3.713 -0.625 1.00 1.36 C ATOM 667 CD LYS A 551 23.229 4.710 -1.620 1.00 1.66 C ATOM 668 CE LYS A 551 22.162 5.662 -2.129 1.00 1.93 C ATOM 669 NZ LYS A 551 22.721 6.648 -3.091 1.00 2.36 N ATOM 0 H LYS A 551 22.436 1.114 -1.398 1.00 1.33 H new ATOM 0 HA LYS A 551 24.772 2.568 -1.994 1.00 1.50 H new ATOM 0 HB2 LYS A 551 23.328 2.125 0.641 1.00 1.43 H new ATOM 0 HB3 LYS A 551 24.537 3.359 0.347 1.00 1.43 H new ATOM 0 HG2 LYS A 551 21.870 3.138 -1.092 1.00 1.36 H new ATOM 0 HG3 LYS A 551 22.228 4.245 0.218 1.00 1.36 H new ATOM 0 HD2 LYS A 551 24.030 5.280 -1.150 1.00 1.66 H new ATOM 0 HD3 LYS A 551 23.669 4.175 -2.461 1.00 1.66 H new ATOM 0 HE2 LYS A 551 21.367 5.094 -2.611 1.00 1.93 H new ATOM 0 HE3 LYS A 551 21.712 6.189 -1.287 1.00 1.93 H new ATOM 0 HZ1 LYS A 551 21.964 7.282 -3.418 1.00 2.36 H new ATOM 0 HZ2 LYS A 551 23.463 7.207 -2.623 1.00 2.36 H new ATOM 0 HZ3 LYS A 551 23.128 6.146 -3.906 1.00 2.36 H new ATOM 683 N SER A 552 25.108 0.009 0.066 1.00 1.61 N ATOM 684 CA SER A 552 26.072 -0.943 0.594 1.00 1.82 C ATOM 685 C SER A 552 26.913 -1.545 -0.532 1.00 1.95 C ATOM 686 O SER A 552 28.127 -1.698 -0.399 1.00 2.23 O ATOM 687 CB SER A 552 25.347 -2.048 1.356 1.00 1.69 C ATOM 688 OG SER A 552 24.542 -1.504 2.389 1.00 1.76 O ATOM 0 H SER A 552 24.138 -0.204 0.296 1.00 1.61 H new ATOM 0 HA SER A 552 26.740 -0.417 1.276 1.00 1.82 H new ATOM 0 HB2 SER A 552 24.725 -2.622 0.669 1.00 1.69 H new ATOM 0 HB3 SER A 552 26.074 -2.740 1.782 1.00 1.69 H new ATOM 0 HG SER A 552 23.751 -1.078 1.997 1.00 1.76 H new ATOM 694 N GLU A 553 26.264 -1.876 -1.639 1.00 1.81 N ATOM 695 CA GLU A 553 26.964 -2.412 -2.799 1.00 2.00 C ATOM 696 C GLU A 553 27.932 -1.376 -3.368 1.00 2.25 C ATOM 697 O GLU A 553 29.099 -1.670 -3.627 1.00 2.55 O ATOM 698 CB GLU A 553 25.962 -2.832 -3.874 1.00 1.88 C ATOM 699 CG GLU A 553 24.977 -3.881 -3.398 1.00 1.75 C ATOM 700 CD GLU A 553 25.635 -5.201 -3.070 1.00 1.97 C ATOM 701 OE1 GLU A 553 25.996 -5.937 -4.009 1.00 1.91 O ATOM 702 OE2 GLU A 553 25.789 -5.511 -1.868 1.00 2.46 O ATOM 0 H GLU A 553 25.255 -1.783 -1.759 1.00 1.81 H new ATOM 0 HA GLU A 553 27.533 -3.286 -2.482 1.00 2.00 H new ATOM 0 HB2 GLU A 553 25.412 -1.954 -4.211 1.00 1.88 H new ATOM 0 HB3 GLU A 553 26.505 -3.218 -4.736 1.00 1.88 H new ATOM 0 HG2 GLU A 553 24.458 -3.510 -2.514 1.00 1.75 H new ATOM 0 HG3 GLU A 553 24.222 -4.039 -4.168 1.00 1.75 H new ATOM 709 N GLY A 554 27.438 -0.157 -3.535 1.00 2.16 N ATOM 710 CA GLY A 554 28.234 0.906 -4.115 1.00 2.43 C ATOM 711 C GLY A 554 29.380 1.346 -3.224 1.00 2.68 C ATOM 712 O GLY A 554 30.463 1.660 -3.712 1.00 2.98 O ATOM 0 H GLY A 554 26.490 0.116 -3.276 1.00 2.16 H new ATOM 0 HA2 GLY A 554 28.634 0.571 -5.072 1.00 2.43 H new ATOM 0 HA3 GLY A 554 27.592 1.762 -4.320 1.00 2.43 H new ATOM 716 N LYS A 555 29.143 1.386 -1.918 1.00 2.59 N ATOM 717 CA LYS A 555 30.178 1.789 -0.969 1.00 2.88 C ATOM 718 C LYS A 555 31.235 0.699 -0.808 1.00 3.09 C ATOM 719 O LYS A 555 32.361 0.973 -0.394 1.00 3.44 O ATOM 720 CB LYS A 555 29.562 2.125 0.393 1.00 2.82 C ATOM 721 CG LYS A 555 28.992 0.924 1.133 1.00 2.71 C ATOM 722 CD LYS A 555 28.327 1.332 2.439 1.00 2.71 C ATOM 723 CE LYS A 555 29.344 1.745 3.488 1.00 2.99 C ATOM 724 NZ LYS A 555 30.120 0.583 4.003 1.00 3.58 N ATOM 0 H LYS A 555 28.248 1.146 -1.492 1.00 2.59 H new ATOM 0 HA LYS A 555 30.662 2.680 -1.368 1.00 2.88 H new ATOM 0 HB2 LYS A 555 30.322 2.595 1.017 1.00 2.82 H new ATOM 0 HB3 LYS A 555 28.769 2.859 0.249 1.00 2.82 H new ATOM 0 HG2 LYS A 555 28.266 0.416 0.498 1.00 2.71 H new ATOM 0 HG3 LYS A 555 29.790 0.211 1.338 1.00 2.71 H new ATOM 0 HD2 LYS A 555 27.640 2.158 2.254 1.00 2.71 H new ATOM 0 HD3 LYS A 555 27.732 0.501 2.818 1.00 2.71 H new ATOM 0 HE2 LYS A 555 30.029 2.477 3.060 1.00 2.99 H new ATOM 0 HE3 LYS A 555 28.832 2.234 4.316 1.00 2.99 H new ATOM 0 HZ1 LYS A 555 30.652 0.869 4.850 1.00 3.58 H new ATOM 0 HZ2 LYS A 555 29.468 -0.189 4.248 1.00 3.58 H new ATOM 0 HZ3 LYS A 555 30.783 0.257 3.271 1.00 3.58 H new ATOM 738 N SER A 556 30.870 -0.532 -1.142 1.00 2.91 N ATOM 739 CA SER A 556 31.777 -1.660 -1.002 1.00 3.12 C ATOM 740 C SER A 556 32.865 -1.603 -2.073 1.00 3.40 C ATOM 741 O SER A 556 34.046 -1.806 -1.783 1.00 3.67 O ATOM 742 CB SER A 556 30.999 -2.977 -1.088 1.00 2.84 C ATOM 743 OG SER A 556 31.798 -4.080 -0.689 1.00 3.07 O ATOM 0 H SER A 556 29.951 -0.773 -1.512 1.00 2.91 H new ATOM 0 HA SER A 556 32.257 -1.607 -0.025 1.00 3.12 H new ATOM 0 HB2 SER A 556 30.114 -2.920 -0.455 1.00 2.84 H new ATOM 0 HB3 SER A 556 30.651 -3.129 -2.110 1.00 2.84 H new ATOM 0 HG SER A 556 31.273 -4.905 -0.754 1.00 3.07 H new ATOM 749 N LEU A 557 32.467 -1.312 -3.304 1.00 3.70 N ATOM 750 CA LEU A 557 33.413 -1.196 -4.401 1.00 4.05 C ATOM 751 C LEU A 557 33.187 0.107 -5.159 1.00 4.48 C ATOM 752 O LEU A 557 32.334 0.144 -6.068 1.00 4.98 O ATOM 753 CB LEU A 557 33.340 -2.408 -5.349 1.00 4.73 C ATOM 754 CG LEU A 557 31.947 -2.785 -5.874 1.00 5.04 C ATOM 755 CD1 LEU A 557 32.068 -3.502 -7.208 1.00 5.74 C ATOM 756 CD2 LEU A 557 31.215 -3.675 -4.876 1.00 5.35 C ATOM 757 OXT LEU A 557 33.860 1.104 -4.826 1.00 4.73 O ATOM 0 H LEU A 557 31.494 -1.152 -3.566 1.00 3.70 H new ATOM 0 HA LEU A 557 34.417 -1.182 -3.977 1.00 4.05 H new ATOM 0 HB2 LEU A 557 33.985 -2.211 -6.205 1.00 4.73 H new ATOM 0 HB3 LEU A 557 33.754 -3.272 -4.830 1.00 4.73 H new ATOM 0 HG LEU A 557 31.374 -1.868 -6.008 1.00 5.04 H new ATOM 0 HD11 LEU A 557 31.074 -3.765 -7.571 1.00 5.74 H new ATOM 0 HD12 LEU A 557 32.557 -2.848 -7.930 1.00 5.74 H new ATOM 0 HD13 LEU A 557 32.660 -4.409 -7.081 1.00 5.74 H new ATOM 0 HD21 LEU A 557 30.231 -3.929 -5.269 1.00 5.35 H new ATOM 0 HD22 LEU A 557 31.788 -4.588 -4.714 1.00 5.35 H new ATOM 0 HD23 LEU A 557 31.102 -3.145 -3.930 1.00 5.35 H new TER 769 LEU A 557