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 541 ASN : amide:sc= -0.29 K(o=-0.29,f=-1.7!) USER MOD Set 1.2: A 545 GLN : amide:sc=0.000106 X(o=-0.29,f=-0.29) USER MOD Single : A 511 SER OG : rot 180:sc= 0.0153 USER MOD Single : A 514 THR OG1 : rot 24:sc= 0.743 USER MOD Single : A 515 CYS SG : rot 63:sc= 1.22 USER MOD Single : A 516 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 517 SER OG : rot 180:sc= 0 USER MOD Single : A 520 SER OG : rot 1:sc= -0.0714 USER MOD Single : A 521 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 524 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0868) 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 :FLIP amide:sc= -0.086 F(o=-1.7!,f=-0.086) USER MOD Single : A 530 LYS NZ :NH3+ -163:sc= -0.0941 (180deg=-0.475) USER MOD Single : A 532 GLN : amide:sc= -0.925 K(o=-0.92,f=-5.6!) USER MOD Single : A 533 THR OG1 : rot 59:sc= 1.24 USER MOD Single : A 538 THR OG1 : rot 88:sc= 0.576 USER MOD Single : A 540 GLN : amide:sc= -0.844 K(o=-0.84,f=-5!) USER MOD Single : A 542 GLN : amide:sc= -0.0152 X(o=-0.015,f=-0.051) USER MOD Single : A 544 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 550 GLN :FLIP amide:sc= -0.354 F(o=-1.4!,f=-0.35) USER MOD Single : A 551 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 552 SER OG : rot 180:sc= 0 USER MOD Single : A 555 LYS NZ :NH3+ -167:sc=-0.00869 (180deg=-0.147) USER MOD Single : A 556 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 510 -35.967 -3.228 0.249 1.00 9.10 N ATOM 2 CA GLY A 510 -36.208 -2.266 -0.848 1.00 8.55 C ATOM 3 C GLY A 510 -35.003 -1.387 -1.117 1.00 7.83 C ATOM 4 O GLY A 510 -33.877 -1.879 -1.212 1.00 8.04 O ATOM 0 HA2 GLY A 510 -36.467 -2.811 -1.756 1.00 8.55 H new ATOM 0 HA3 GLY A 510 -37.064 -1.639 -0.597 1.00 8.55 H new ATOM 10 N SER A 511 -35.244 -0.082 -1.206 1.00 7.22 N ATOM 11 CA SER A 511 -34.213 0.891 -1.549 1.00 6.73 C ATOM 12 C SER A 511 -33.064 0.901 -0.538 1.00 6.19 C ATOM 13 O SER A 511 -31.897 0.806 -0.917 1.00 5.90 O ATOM 14 CB SER A 511 -34.843 2.280 -1.642 1.00 6.95 C ATOM 15 OG SER A 511 -35.678 2.529 -0.522 1.00 7.47 O ATOM 0 H SER A 511 -36.162 0.331 -1.042 1.00 7.22 H new ATOM 0 HA SER A 511 -33.788 0.605 -2.511 1.00 6.73 H new ATOM 0 HB2 SER A 511 -34.060 3.037 -1.694 1.00 6.95 H new ATOM 0 HB3 SER A 511 -35.425 2.360 -2.560 1.00 6.95 H new ATOM 0 HG SER A 511 -36.071 3.424 -0.599 1.00 7.47 H new ATOM 21 N VAL A 512 -33.396 1.004 0.744 1.00 6.20 N ATOM 22 CA VAL A 512 -32.384 1.091 1.795 1.00 5.78 C ATOM 23 C VAL A 512 -31.523 -0.170 1.829 1.00 5.49 C ATOM 24 O VAL A 512 -30.326 -0.108 2.104 1.00 5.11 O ATOM 25 CB VAL A 512 -33.016 1.308 3.183 1.00 6.06 C ATOM 26 CG1 VAL A 512 -31.953 1.758 4.169 1.00 5.88 C ATOM 27 CG2 VAL A 512 -34.150 2.321 3.113 1.00 6.40 C ATOM 0 H VAL A 512 -34.358 1.029 1.083 1.00 6.20 H new ATOM 0 HA VAL A 512 -31.760 1.953 1.559 1.00 5.78 H new ATOM 0 HB VAL A 512 -33.437 0.363 3.526 1.00 6.06 H new ATOM 0 HG11 VAL A 512 -32.406 1.910 5.149 1.00 5.88 H new ATOM 0 HG12 VAL A 512 -31.178 0.995 4.242 1.00 5.88 H new ATOM 0 HG13 VAL A 512 -31.510 2.693 3.825 1.00 5.88 H new ATOM 0 HG21 VAL A 512 -34.579 2.456 4.106 1.00 6.40 H new ATOM 0 HG22 VAL A 512 -33.764 3.274 2.752 1.00 6.40 H new ATOM 0 HG23 VAL A 512 -34.920 1.959 2.431 1.00 6.40 H new ATOM 37 N GLU A 513 -32.137 -1.308 1.531 1.00 5.73 N ATOM 38 CA GLU A 513 -31.434 -2.578 1.503 1.00 5.58 C ATOM 39 C GLU A 513 -30.310 -2.552 0.469 1.00 5.26 C ATOM 40 O GLU A 513 -29.168 -2.910 0.768 1.00 4.95 O ATOM 41 CB GLU A 513 -32.419 -3.693 1.181 1.00 6.03 C ATOM 42 CG GLU A 513 -31.779 -5.063 1.094 1.00 6.54 C ATOM 43 CD GLU A 513 -31.353 -5.600 2.446 1.00 7.02 C ATOM 44 OE1 GLU A 513 -32.227 -5.833 3.307 1.00 7.40 O ATOM 45 OE2 GLU A 513 -30.135 -5.775 2.660 1.00 7.27 O ATOM 0 H GLU A 513 -33.129 -1.374 1.304 1.00 5.73 H new ATOM 0 HA GLU A 513 -30.989 -2.757 2.482 1.00 5.58 H new ATOM 0 HB2 GLU A 513 -33.195 -3.712 1.946 1.00 6.03 H new ATOM 0 HB3 GLU A 513 -32.910 -3.470 0.234 1.00 6.03 H new ATOM 0 HG2 GLU A 513 -32.482 -5.759 0.637 1.00 6.54 H new ATOM 0 HG3 GLU A 513 -30.910 -5.012 0.438 1.00 6.54 H new ATOM 52 N THR A 514 -30.625 -2.093 -0.735 1.00 5.38 N ATOM 53 CA THR A 514 -29.645 -2.039 -1.803 1.00 5.15 C ATOM 54 C THR A 514 -28.630 -0.924 -1.566 1.00 4.74 C ATOM 55 O THR A 514 -27.459 -1.068 -1.910 1.00 4.68 O ATOM 56 CB THR A 514 -30.312 -1.862 -3.179 1.00 5.39 C ATOM 57 OG1 THR A 514 -31.400 -0.933 -3.087 1.00 5.70 O ATOM 58 CG2 THR A 514 -30.817 -3.196 -3.709 1.00 5.67 C ATOM 0 H THR A 514 -31.552 -1.754 -0.993 1.00 5.38 H new ATOM 0 HA THR A 514 -29.120 -2.994 -1.800 1.00 5.15 H new ATOM 0 HB THR A 514 -29.566 -1.472 -3.871 1.00 5.39 H new ATOM 0 HG1 THR A 514 -31.262 -0.342 -2.317 1.00 5.70 H new ATOM 0 HG21 THR A 514 -31.285 -3.047 -4.682 1.00 5.67 H new ATOM 0 HG22 THR A 514 -29.981 -3.887 -3.810 1.00 5.67 H new ATOM 0 HG23 THR A 514 -31.548 -3.610 -3.015 1.00 5.67 H new ATOM 66 N CYS A 515 -29.074 0.177 -0.963 1.00 4.56 N ATOM 67 CA CYS A 515 -28.164 1.268 -0.623 1.00 4.21 C ATOM 68 C CYS A 515 -27.167 0.819 0.442 1.00 3.93 C ATOM 69 O CYS A 515 -26.005 1.210 0.418 1.00 3.56 O ATOM 70 CB CYS A 515 -28.932 2.497 -0.129 1.00 4.40 C ATOM 71 SG CYS A 515 -30.168 3.119 -1.293 1.00 4.96 S ATOM 0 H CYS A 515 -30.047 0.336 -0.702 1.00 4.56 H new ATOM 0 HA CYS A 515 -27.622 1.542 -1.528 1.00 4.21 H new ATOM 0 HB2 CYS A 515 -29.427 2.249 0.810 1.00 4.40 H new ATOM 0 HB3 CYS A 515 -28.220 3.293 0.087 1.00 4.40 H new ATOM 0 HG CYS A 515 -31.075 2.209 -1.490 1.00 4.96 H new ATOM 77 N MET A 516 -27.627 -0.005 1.377 1.00 4.13 N ATOM 78 CA MET A 516 -26.754 -0.570 2.399 1.00 3.95 C ATOM 79 C MET A 516 -25.696 -1.469 1.755 1.00 3.70 C ATOM 80 O MET A 516 -24.534 -1.472 2.163 1.00 3.40 O ATOM 81 CB MET A 516 -27.578 -1.356 3.424 1.00 4.28 C ATOM 82 CG MET A 516 -26.757 -1.909 4.579 1.00 4.27 C ATOM 83 SD MET A 516 -27.769 -2.757 5.808 1.00 4.83 S ATOM 84 CE MET A 516 -26.515 -3.279 6.977 1.00 5.80 C ATOM 0 H MET A 516 -28.602 -0.297 1.448 1.00 4.13 H new ATOM 0 HA MET A 516 -26.246 0.244 2.916 1.00 3.95 H new ATOM 0 HB2 MET A 516 -28.358 -0.708 3.823 1.00 4.28 H new ATOM 0 HB3 MET A 516 -28.078 -2.182 2.918 1.00 4.28 H new ATOM 0 HG2 MET A 516 -26.010 -2.600 4.190 1.00 4.27 H new ATOM 0 HG3 MET A 516 -26.217 -1.093 5.059 1.00 4.27 H new ATOM 0 HE1 MET A 516 -26.986 -3.819 7.798 1.00 5.80 H new ATOM 0 HE2 MET A 516 -25.800 -3.931 6.476 1.00 5.80 H new ATOM 0 HE3 MET A 516 -25.996 -2.404 7.369 1.00 5.80 H new ATOM 94 N SER A 517 -26.106 -2.219 0.735 1.00 3.87 N ATOM 95 CA SER A 517 -25.181 -3.058 -0.020 1.00 3.73 C ATOM 96 C SER A 517 -24.227 -2.184 -0.836 1.00 3.38 C ATOM 97 O SER A 517 -23.056 -2.514 -1.016 1.00 3.11 O ATOM 98 CB SER A 517 -25.958 -4.011 -0.936 1.00 4.09 C ATOM 99 OG SER A 517 -25.089 -4.865 -1.662 1.00 4.52 O ATOM 0 H SER A 517 -27.073 -2.262 0.413 1.00 3.87 H new ATOM 0 HA SER A 517 -24.593 -3.655 0.678 1.00 3.73 H new ATOM 0 HB2 SER A 517 -26.644 -4.612 -0.339 1.00 4.09 H new ATOM 0 HB3 SER A 517 -26.565 -3.432 -1.632 1.00 4.09 H new ATOM 0 HG SER A 517 -25.618 -5.460 -2.234 1.00 4.52 H new ATOM 105 N LEU A 518 -24.743 -1.057 -1.311 1.00 3.41 N ATOM 106 CA LEU A 518 -23.961 -0.085 -2.045 1.00 3.15 C ATOM 107 C LEU A 518 -22.904 0.532 -1.125 1.00 2.83 C ATOM 108 O LEU A 518 -21.733 0.644 -1.490 1.00 2.54 O ATOM 109 CB LEU A 518 -24.944 0.957 -2.633 1.00 3.32 C ATOM 110 CG LEU A 518 -24.394 2.311 -3.108 1.00 3.52 C ATOM 111 CD1 LEU A 518 -24.140 3.228 -1.920 1.00 3.34 C ATOM 112 CD2 LEU A 518 -23.138 2.128 -3.949 1.00 3.86 C ATOM 0 H LEU A 518 -25.722 -0.795 -1.194 1.00 3.41 H new ATOM 0 HA LEU A 518 -23.413 -0.542 -2.869 1.00 3.15 H new ATOM 0 HB2 LEU A 518 -25.450 0.492 -3.479 1.00 3.32 H new ATOM 0 HB3 LEU A 518 -25.704 1.157 -1.877 1.00 3.32 H new ATOM 0 HG LEU A 518 -25.144 2.783 -3.743 1.00 3.52 H new ATOM 0 HD11 LEU A 518 -23.751 4.183 -2.274 1.00 3.34 H new ATOM 0 HD12 LEU A 518 -25.073 3.394 -1.382 1.00 3.34 H new ATOM 0 HD13 LEU A 518 -23.414 2.765 -1.252 1.00 3.34 H new ATOM 0 HD21 LEU A 518 -22.771 3.102 -4.271 1.00 3.86 H new ATOM 0 HD22 LEU A 518 -22.372 1.630 -3.355 1.00 3.86 H new ATOM 0 HD23 LEU A 518 -23.371 1.521 -4.824 1.00 3.86 H new ATOM 124 N ALA A 519 -23.320 0.898 0.077 1.00 2.92 N ATOM 125 CA ALA A 519 -22.422 1.513 1.044 1.00 2.71 C ATOM 126 C ALA A 519 -21.355 0.531 1.508 1.00 2.50 C ATOM 127 O ALA A 519 -20.181 0.886 1.611 1.00 2.24 O ATOM 128 CB ALA A 519 -23.207 2.043 2.226 1.00 2.96 C ATOM 0 H ALA A 519 -24.277 0.780 0.408 1.00 2.92 H new ATOM 0 HA ALA A 519 -21.918 2.346 0.555 1.00 2.71 H new ATOM 0 HB1 ALA A 519 -22.523 2.500 2.941 1.00 2.96 H new ATOM 0 HB2 ALA A 519 -23.924 2.788 1.882 1.00 2.96 H new ATOM 0 HB3 ALA A 519 -23.739 1.222 2.707 1.00 2.96 H new ATOM 134 N SER A 520 -21.760 -0.706 1.777 1.00 2.66 N ATOM 135 CA SER A 520 -20.815 -1.737 2.170 1.00 2.54 C ATOM 136 C SER A 520 -19.860 -2.032 1.021 1.00 2.31 C ATOM 137 O SER A 520 -18.680 -2.287 1.235 1.00 2.10 O ATOM 138 CB SER A 520 -21.543 -3.007 2.622 1.00 2.83 C ATOM 139 OG SER A 520 -22.453 -3.462 1.638 1.00 2.98 O ATOM 0 H SER A 520 -22.731 -1.015 1.730 1.00 2.66 H new ATOM 0 HA SER A 520 -20.235 -1.373 3.018 1.00 2.54 H new ATOM 0 HB2 SER A 520 -20.814 -3.789 2.834 1.00 2.83 H new ATOM 0 HB3 SER A 520 -22.078 -2.810 3.551 1.00 2.83 H new ATOM 0 HG SER A 520 -22.413 -2.871 0.857 1.00 2.98 H new ATOM 145 N GLN A 521 -20.375 -1.963 -0.201 1.00 2.40 N ATOM 146 CA GLN A 521 -19.553 -2.134 -1.390 1.00 2.26 C ATOM 147 C GLN A 521 -18.478 -1.058 -1.433 1.00 1.95 C ATOM 148 O GLN A 521 -17.306 -1.353 -1.642 1.00 1.75 O ATOM 149 CB GLN A 521 -20.417 -2.064 -2.647 1.00 2.49 C ATOM 150 CG GLN A 521 -19.644 -2.252 -3.940 1.00 2.84 C ATOM 151 CD GLN A 521 -20.529 -2.115 -5.158 1.00 3.23 C ATOM 152 OE1 GLN A 521 -20.680 -1.029 -5.719 1.00 3.85 O ATOM 153 NE2 GLN A 521 -21.132 -3.215 -5.569 1.00 3.40 N ATOM 0 H GLN A 521 -21.362 -1.789 -0.393 1.00 2.40 H new ATOM 0 HA GLN A 521 -19.076 -3.113 -1.351 1.00 2.26 H new ATOM 0 HB2 GLN A 521 -21.192 -2.828 -2.585 1.00 2.49 H new ATOM 0 HB3 GLN A 521 -20.922 -1.098 -2.675 1.00 2.49 H new ATOM 0 HG2 GLN A 521 -18.841 -1.517 -3.992 1.00 2.84 H new ATOM 0 HG3 GLN A 521 -19.176 -3.236 -3.942 1.00 2.84 H new ATOM 0 HE21 GLN A 521 -20.980 -4.095 -5.076 1.00 3.40 H new ATOM 0 HE22 GLN A 521 -21.750 -3.185 -6.380 1.00 3.40 H new ATOM 162 N VAL A 522 -18.880 0.185 -1.198 1.00 1.94 N ATOM 163 CA VAL A 522 -17.935 1.296 -1.112 1.00 1.71 C ATOM 164 C VAL A 522 -16.914 1.032 -0.006 1.00 1.52 C ATOM 165 O VAL A 522 -15.724 1.307 -0.159 1.00 1.28 O ATOM 166 CB VAL A 522 -18.657 2.638 -0.846 1.00 1.86 C ATOM 167 CG1 VAL A 522 -17.655 3.768 -0.653 1.00 1.69 C ATOM 168 CG2 VAL A 522 -19.612 2.965 -1.985 1.00 2.07 C ATOM 0 H VAL A 522 -19.855 0.451 -1.063 1.00 1.94 H new ATOM 0 HA VAL A 522 -17.424 1.371 -2.072 1.00 1.71 H new ATOM 0 HB VAL A 522 -19.233 2.534 0.073 1.00 1.86 H new ATOM 0 HG11 VAL A 522 -18.189 4.700 -0.468 1.00 1.69 H new ATOM 0 HG12 VAL A 522 -17.012 3.543 0.198 1.00 1.69 H new ATOM 0 HG13 VAL A 522 -17.046 3.871 -1.551 1.00 1.69 H new ATOM 0 HG21 VAL A 522 -20.111 3.912 -1.781 1.00 2.07 H new ATOM 0 HG22 VAL A 522 -19.053 3.043 -2.917 1.00 2.07 H new ATOM 0 HG23 VAL A 522 -20.357 2.174 -2.074 1.00 2.07 H new ATOM 178 N VAL A 523 -17.390 0.479 1.102 1.00 1.66 N ATOM 179 CA VAL A 523 -16.534 0.099 2.205 1.00 1.58 C ATOM 180 C VAL A 523 -15.513 -0.956 1.758 1.00 1.41 C ATOM 181 O VAL A 523 -14.347 -0.889 2.141 1.00 1.24 O ATOM 182 CB VAL A 523 -17.389 -0.404 3.393 1.00 1.85 C ATOM 183 CG1 VAL A 523 -16.624 -1.375 4.268 1.00 1.86 C ATOM 184 CG2 VAL A 523 -17.887 0.772 4.217 1.00 1.98 C ATOM 0 H VAL A 523 -18.379 0.284 1.256 1.00 1.66 H new ATOM 0 HA VAL A 523 -15.976 0.974 2.539 1.00 1.58 H new ATOM 0 HB VAL A 523 -18.244 -0.940 2.980 1.00 1.85 H new ATOM 0 HG11 VAL A 523 -17.260 -1.703 5.090 1.00 1.86 H new ATOM 0 HG12 VAL A 523 -16.322 -2.239 3.675 1.00 1.86 H new ATOM 0 HG13 VAL A 523 -15.738 -0.883 4.670 1.00 1.86 H new ATOM 0 HG21 VAL A 523 -18.487 0.405 5.050 1.00 1.98 H new ATOM 0 HG22 VAL A 523 -17.035 1.332 4.603 1.00 1.98 H new ATOM 0 HG23 VAL A 523 -18.496 1.423 3.590 1.00 1.98 H new ATOM 194 N LYS A 524 -15.954 -1.910 0.934 1.00 1.52 N ATOM 195 CA LYS A 524 -15.052 -2.904 0.341 1.00 1.44 C ATOM 196 C LYS A 524 -14.019 -2.236 -0.562 1.00 1.21 C ATOM 197 O LYS A 524 -12.831 -2.552 -0.502 1.00 1.07 O ATOM 198 CB LYS A 524 -15.835 -3.935 -0.480 1.00 1.69 C ATOM 199 CG LYS A 524 -16.230 -5.181 0.283 1.00 1.91 C ATOM 200 CD LYS A 524 -17.358 -4.894 1.246 1.00 2.09 C ATOM 201 CE LYS A 524 -17.798 -6.144 1.983 1.00 2.33 C ATOM 202 NZ LYS A 524 -18.489 -7.101 1.078 1.00 2.48 N ATOM 0 H LYS A 524 -16.931 -2.016 0.661 1.00 1.52 H new ATOM 0 HA LYS A 524 -14.542 -3.407 1.163 1.00 1.44 H new ATOM 0 HB2 LYS A 524 -16.737 -3.462 -0.868 1.00 1.69 H new ATOM 0 HB3 LYS A 524 -15.233 -4.227 -1.340 1.00 1.69 H new ATOM 0 HG2 LYS A 524 -16.535 -5.959 -0.417 1.00 1.91 H new ATOM 0 HG3 LYS A 524 -15.369 -5.564 0.830 1.00 1.91 H new ATOM 0 HD2 LYS A 524 -17.039 -4.140 1.966 1.00 2.09 H new ATOM 0 HD3 LYS A 524 -18.204 -4.476 0.701 1.00 2.09 H new ATOM 0 HE2 LYS A 524 -16.929 -6.628 2.430 1.00 2.33 H new ATOM 0 HE3 LYS A 524 -18.465 -5.869 2.800 1.00 2.33 H new ATOM 0 HZ1 LYS A 524 -18.923 -7.860 1.641 1.00 2.48 H new ATOM 0 HZ2 LYS A 524 -19.228 -6.601 0.543 1.00 2.48 H new ATOM 0 HZ3 LYS A 524 -17.800 -7.512 0.416 1.00 2.48 H new ATOM 216 N LEU A 525 -14.481 -1.308 -1.394 1.00 1.21 N ATOM 217 CA LEU A 525 -13.597 -0.582 -2.302 1.00 1.06 C ATOM 218 C LEU A 525 -12.554 0.196 -1.516 1.00 0.82 C ATOM 219 O LEU A 525 -11.374 0.191 -1.857 1.00 0.67 O ATOM 220 CB LEU A 525 -14.397 0.377 -3.197 1.00 1.19 C ATOM 221 CG LEU A 525 -14.917 -0.213 -4.514 1.00 1.42 C ATOM 222 CD1 LEU A 525 -15.861 -1.374 -4.256 1.00 1.62 C ATOM 223 CD2 LEU A 525 -15.615 0.861 -5.335 1.00 1.56 C ATOM 0 H LEU A 525 -15.463 -1.040 -1.459 1.00 1.21 H new ATOM 0 HA LEU A 525 -13.095 -1.312 -2.937 1.00 1.06 H new ATOM 0 HB2 LEU A 525 -15.248 0.750 -2.627 1.00 1.19 H new ATOM 0 HB3 LEU A 525 -13.768 1.236 -3.430 1.00 1.19 H new ATOM 0 HG LEU A 525 -14.063 -0.589 -5.077 1.00 1.42 H new ATOM 0 HD11 LEU A 525 -16.215 -1.773 -5.206 1.00 1.62 H new ATOM 0 HD12 LEU A 525 -15.335 -2.155 -3.707 1.00 1.62 H new ATOM 0 HD13 LEU A 525 -16.712 -1.028 -3.669 1.00 1.62 H new ATOM 0 HD21 LEU A 525 -15.979 0.428 -6.267 1.00 1.56 H new ATOM 0 HD22 LEU A 525 -16.456 1.263 -4.769 1.00 1.56 H new ATOM 0 HD23 LEU A 525 -14.911 1.663 -5.558 1.00 1.56 H new ATOM 235 N THR A 526 -12.995 0.830 -0.440 1.00 0.84 N ATOM 236 CA THR A 526 -12.128 1.610 0.404 1.00 0.73 C ATOM 237 C THR A 526 -11.195 0.699 1.208 1.00 0.62 C ATOM 238 O THR A 526 -10.031 1.033 1.437 1.00 0.52 O ATOM 239 CB THR A 526 -12.983 2.505 1.324 1.00 0.91 C ATOM 240 OG1 THR A 526 -13.226 3.767 0.693 1.00 1.14 O ATOM 241 CG2 THR A 526 -12.340 2.695 2.678 1.00 1.40 C ATOM 0 H THR A 526 -13.968 0.813 -0.134 1.00 0.84 H new ATOM 0 HA THR A 526 -11.497 2.251 -0.212 1.00 0.73 H new ATOM 0 HB THR A 526 -13.936 2.003 1.490 1.00 0.91 H new ATOM 0 HG1 THR A 526 -13.771 4.328 1.283 1.00 1.14 H new ATOM 0 HG21 THR A 526 -12.974 3.331 3.296 1.00 1.40 H new ATOM 0 HG22 THR A 526 -12.217 1.726 3.162 1.00 1.40 H new ATOM 0 HG23 THR A 526 -11.364 3.165 2.555 1.00 1.40 H new ATOM 249 N LYS A 527 -11.704 -0.464 1.602 1.00 0.72 N ATOM 250 CA LYS A 527 -10.903 -1.452 2.309 1.00 0.71 C ATOM 251 C LYS A 527 -9.742 -1.895 1.427 1.00 0.55 C ATOM 252 O LYS A 527 -8.595 -1.945 1.870 1.00 0.47 O ATOM 253 CB LYS A 527 -11.763 -2.662 2.683 1.00 0.91 C ATOM 254 CG LYS A 527 -11.084 -3.629 3.642 1.00 1.04 C ATOM 255 CD LYS A 527 -10.924 -3.023 5.029 1.00 1.12 C ATOM 256 CE LYS A 527 -12.273 -2.686 5.649 1.00 1.24 C ATOM 257 NZ LYS A 527 -12.138 -2.159 7.031 1.00 1.60 N ATOM 0 H LYS A 527 -12.672 -0.744 1.442 1.00 0.72 H new ATOM 0 HA LYS A 527 -10.513 -1.004 3.223 1.00 0.71 H new ATOM 0 HB2 LYS A 527 -12.691 -2.310 3.134 1.00 0.91 H new ATOM 0 HB3 LYS A 527 -12.034 -3.198 1.773 1.00 0.91 H new ATOM 0 HG2 LYS A 527 -11.670 -4.546 3.710 1.00 1.04 H new ATOM 0 HG3 LYS A 527 -10.105 -3.904 3.250 1.00 1.04 H new ATOM 0 HD2 LYS A 527 -10.391 -3.722 5.673 1.00 1.12 H new ATOM 0 HD3 LYS A 527 -10.316 -2.121 4.965 1.00 1.12 H new ATOM 0 HE2 LYS A 527 -12.782 -1.948 5.029 1.00 1.24 H new ATOM 0 HE3 LYS A 527 -12.899 -3.579 5.662 1.00 1.24 H new ATOM 0 HZ1 LYS A 527 -13.081 -1.943 7.414 1.00 1.60 H new ATOM 0 HZ2 LYS A 527 -11.676 -2.872 7.631 1.00 1.60 H new ATOM 0 HZ3 LYS A 527 -11.563 -1.292 7.017 1.00 1.60 H new ATOM 271 N GLN A 528 -10.058 -2.177 0.166 1.00 0.59 N ATOM 272 CA GLN A 528 -9.064 -2.594 -0.809 1.00 0.55 C ATOM 273 C GLN A 528 -8.015 -1.505 -0.999 1.00 0.40 C ATOM 274 O GLN A 528 -6.820 -1.788 -1.070 1.00 0.37 O ATOM 275 CB GLN A 528 -9.739 -2.900 -2.148 1.00 0.75 C ATOM 276 CG GLN A 528 -8.777 -3.396 -3.211 1.00 1.38 C ATOM 277 CD GLN A 528 -9.394 -3.417 -4.595 1.00 1.87 C ATOM 278 OE1 GLN A 528 -10.300 -2.488 -4.857 1.00 2.56 O flip ATOM 279 NE2 GLN A 528 -9.052 -4.253 -5.426 1.00 2.33 N flip ATOM 0 H GLN A 528 -11.007 -2.122 -0.204 1.00 0.59 H new ATOM 0 HA GLN A 528 -8.573 -3.495 -0.440 1.00 0.55 H new ATOM 0 HB2 GLN A 528 -10.514 -3.650 -1.992 1.00 0.75 H new ATOM 0 HB3 GLN A 528 -10.235 -2.000 -2.510 1.00 0.75 H new ATOM 0 HG2 GLN A 528 -7.893 -2.758 -3.221 1.00 1.38 H new ATOM 0 HG3 GLN A 528 -8.442 -4.400 -2.952 1.00 1.38 H new ATOM 0 HE21 GLN A 528 -8.350 -4.953 -5.186 1.00 2.33 H new ATOM 0 HE22 GLN A 528 -9.470 -4.248 -6.357 1.00 2.33 H new ATOM 288 N LEU A 529 -8.471 -0.259 -1.059 1.00 0.37 N ATOM 289 CA LEU A 529 -7.579 0.877 -1.243 1.00 0.33 C ATOM 290 C LEU A 529 -6.579 0.967 -0.101 1.00 0.22 C ATOM 291 O LEU A 529 -5.377 1.131 -0.325 1.00 0.26 O ATOM 292 CB LEU A 529 -8.388 2.169 -1.304 1.00 0.43 C ATOM 293 CG LEU A 529 -9.363 2.287 -2.471 1.00 0.58 C ATOM 294 CD1 LEU A 529 -10.210 3.532 -2.307 1.00 0.67 C ATOM 295 CD2 LEU A 529 -8.618 2.312 -3.795 1.00 0.69 C ATOM 0 H LEU A 529 -9.457 -0.011 -0.982 1.00 0.37 H new ATOM 0 HA LEU A 529 -7.037 0.736 -2.178 1.00 0.33 H new ATOM 0 HB2 LEU A 529 -8.949 2.268 -0.375 1.00 0.43 H new ATOM 0 HB3 LEU A 529 -7.694 3.008 -1.349 1.00 0.43 H new ATOM 0 HG LEU A 529 -10.017 1.415 -2.473 1.00 0.58 H new ATOM 0 HD11 LEU A 529 -10.905 3.612 -3.143 1.00 0.67 H new ATOM 0 HD12 LEU A 529 -10.770 3.471 -1.374 1.00 0.67 H new ATOM 0 HD13 LEU A 529 -9.565 4.411 -2.286 1.00 0.67 H new ATOM 0 HD21 LEU A 529 -9.333 2.397 -4.613 1.00 0.69 H new ATOM 0 HD22 LEU A 529 -7.941 3.166 -3.815 1.00 0.69 H new ATOM 0 HD23 LEU A 529 -8.045 1.392 -3.908 1.00 0.69 H new ATOM 307 N LYS A 530 -7.077 0.834 1.120 1.00 0.23 N ATOM 308 CA LYS A 530 -6.222 0.876 2.299 1.00 0.30 C ATOM 309 C LYS A 530 -5.212 -0.261 2.287 1.00 0.24 C ATOM 310 O LYS A 530 -4.016 -0.036 2.456 1.00 0.29 O ATOM 311 CB LYS A 530 -7.050 0.793 3.580 1.00 0.47 C ATOM 312 CG LYS A 530 -7.952 1.990 3.804 1.00 1.14 C ATOM 313 CD LYS A 530 -8.615 1.930 5.168 1.00 1.72 C ATOM 314 CE LYS A 530 -9.468 3.158 5.425 1.00 2.36 C ATOM 315 NZ LYS A 530 -8.693 4.418 5.275 1.00 2.78 N ATOM 0 H LYS A 530 -8.068 0.696 1.321 1.00 0.23 H new ATOM 0 HA LYS A 530 -5.690 1.827 2.274 1.00 0.30 H new ATOM 0 HB2 LYS A 530 -7.661 -0.109 3.549 1.00 0.47 H new ATOM 0 HB3 LYS A 530 -6.376 0.693 4.431 1.00 0.47 H new ATOM 0 HG2 LYS A 530 -7.370 2.908 3.720 1.00 1.14 H new ATOM 0 HG3 LYS A 530 -8.715 2.024 3.027 1.00 1.14 H new ATOM 0 HD2 LYS A 530 -9.234 1.035 5.234 1.00 1.72 H new ATOM 0 HD3 LYS A 530 -7.852 1.847 5.942 1.00 1.72 H new ATOM 0 HE2 LYS A 530 -10.310 3.166 4.732 1.00 2.36 H new ATOM 0 HE3 LYS A 530 -9.884 3.106 6.431 1.00 2.36 H new ATOM 0 HZ1 LYS A 530 -9.209 5.199 5.728 1.00 2.78 H new ATOM 0 HZ2 LYS A 530 -7.763 4.309 5.728 1.00 2.78 H new ATOM 0 HZ3 LYS A 530 -8.564 4.628 4.265 1.00 2.78 H new ATOM 329 N GLU A 531 -5.692 -1.477 2.053 1.00 0.21 N ATOM 330 CA GLU A 531 -4.831 -2.653 2.090 1.00 0.26 C ATOM 331 C GLU A 531 -3.786 -2.596 0.982 1.00 0.23 C ATOM 332 O GLU A 531 -2.625 -2.958 1.195 1.00 0.26 O ATOM 333 CB GLU A 531 -5.661 -3.932 1.987 1.00 0.37 C ATOM 334 CG GLU A 531 -6.713 -4.051 3.077 1.00 0.50 C ATOM 335 CD GLU A 531 -7.305 -5.436 3.168 1.00 0.68 C ATOM 336 OE1 GLU A 531 -8.114 -5.811 2.294 1.00 0.98 O ATOM 337 OE2 GLU A 531 -6.958 -6.167 4.119 1.00 1.00 O ATOM 0 H GLU A 531 -6.669 -1.674 1.836 1.00 0.21 H new ATOM 0 HA GLU A 531 -4.308 -2.661 3.046 1.00 0.26 H new ATOM 0 HB2 GLU A 531 -6.150 -3.963 1.014 1.00 0.37 H new ATOM 0 HB3 GLU A 531 -4.996 -4.794 2.037 1.00 0.37 H new ATOM 0 HG2 GLU A 531 -6.268 -3.787 4.036 1.00 0.50 H new ATOM 0 HG3 GLU A 531 -7.510 -3.332 2.887 1.00 0.50 H new ATOM 344 N GLN A 532 -4.197 -2.126 -0.186 1.00 0.23 N ATOM 345 CA GLN A 532 -3.282 -1.946 -1.305 1.00 0.32 C ATOM 346 C GLN A 532 -2.225 -0.897 -0.967 1.00 0.33 C ATOM 347 O GLN A 532 -1.049 -1.070 -1.271 1.00 0.41 O ATOM 348 CB GLN A 532 -4.046 -1.528 -2.567 1.00 0.40 C ATOM 349 CG GLN A 532 -3.154 -1.262 -3.774 1.00 0.97 C ATOM 350 CD GLN A 532 -2.494 -2.515 -4.325 1.00 1.51 C ATOM 351 OE1 GLN A 532 -2.243 -3.476 -3.602 1.00 2.20 O ATOM 352 NE2 GLN A 532 -2.189 -2.503 -5.612 1.00 2.06 N ATOM 0 H GLN A 532 -5.162 -1.861 -0.385 1.00 0.23 H new ATOM 0 HA GLN A 532 -2.787 -2.899 -1.495 1.00 0.32 H new ATOM 0 HB2 GLN A 532 -4.761 -2.310 -2.822 1.00 0.40 H new ATOM 0 HB3 GLN A 532 -4.622 -0.629 -2.349 1.00 0.40 H new ATOM 0 HG2 GLN A 532 -3.749 -0.798 -4.561 1.00 0.97 H new ATOM 0 HG3 GLN A 532 -2.381 -0.546 -3.494 1.00 0.97 H new ATOM 0 HE21 GLN A 532 -2.413 -1.687 -6.182 1.00 2.06 H new ATOM 0 HE22 GLN A 532 -1.730 -3.310 -6.035 1.00 2.06 H new ATOM 361 N THR A 533 -2.648 0.180 -0.319 1.00 0.29 N ATOM 362 CA THR A 533 -1.738 1.262 0.019 1.00 0.36 C ATOM 363 C THR A 533 -0.756 0.840 1.110 1.00 0.35 C ATOM 364 O THR A 533 0.446 1.074 0.990 1.00 0.41 O ATOM 365 CB THR A 533 -2.498 2.524 0.476 1.00 0.41 C ATOM 366 OG1 THR A 533 -3.452 2.908 -0.524 1.00 0.45 O ATOM 367 CG2 THR A 533 -1.534 3.674 0.721 1.00 0.53 C ATOM 0 H THR A 533 -3.612 0.326 -0.019 1.00 0.29 H new ATOM 0 HA THR A 533 -1.183 1.498 -0.889 1.00 0.36 H new ATOM 0 HB THR A 533 -3.015 2.294 1.408 1.00 0.41 H new ATOM 0 HG1 THR A 533 -4.077 2.170 -0.680 1.00 0.45 H new ATOM 0 HG21 THR A 533 -2.091 4.554 1.042 1.00 0.53 H new ATOM 0 HG22 THR A 533 -0.821 3.393 1.496 1.00 0.53 H new ATOM 0 HG23 THR A 533 -0.997 3.901 -0.200 1.00 0.53 H new ATOM 375 N VAL A 534 -1.259 0.193 2.160 1.00 0.29 N ATOM 376 CA VAL A 534 -0.419 -0.159 3.299 1.00 0.32 C ATOM 377 C VAL A 534 0.692 -1.130 2.902 1.00 0.32 C ATOM 378 O VAL A 534 1.829 -0.979 3.345 1.00 0.35 O ATOM 379 CB VAL A 534 -1.233 -0.734 4.484 1.00 0.32 C ATOM 380 CG1 VAL A 534 -2.207 0.309 5.008 1.00 0.36 C ATOM 381 CG2 VAL A 534 -1.976 -1.997 4.091 1.00 0.28 C ATOM 0 H VAL A 534 -2.234 -0.095 2.244 1.00 0.29 H new ATOM 0 HA VAL A 534 0.037 0.773 3.634 1.00 0.32 H new ATOM 0 HB VAL A 534 -0.530 -0.996 5.275 1.00 0.32 H new ATOM 0 HG11 VAL A 534 -2.773 -0.108 5.841 1.00 0.36 H new ATOM 0 HG12 VAL A 534 -1.654 1.185 5.347 1.00 0.36 H new ATOM 0 HG13 VAL A 534 -2.893 0.599 4.212 1.00 0.36 H new ATOM 0 HG21 VAL A 534 -2.536 -2.371 4.948 1.00 0.28 H new ATOM 0 HG22 VAL A 534 -2.665 -1.775 3.276 1.00 0.28 H new ATOM 0 HG23 VAL A 534 -1.261 -2.753 3.766 1.00 0.28 H new ATOM 391 N GLU A 535 0.388 -2.105 2.047 1.00 0.29 N ATOM 392 CA GLU A 535 1.414 -3.027 1.588 1.00 0.32 C ATOM 393 C GLU A 535 2.359 -2.328 0.611 1.00 0.36 C ATOM 394 O GLU A 535 3.562 -2.562 0.626 1.00 0.39 O ATOM 395 CB GLU A 535 0.802 -4.275 0.939 1.00 0.34 C ATOM 396 CG GLU A 535 -0.051 -3.990 -0.285 1.00 0.36 C ATOM 397 CD GLU A 535 -0.176 -5.192 -1.196 1.00 0.54 C ATOM 398 OE1 GLU A 535 -1.062 -6.032 -0.947 1.00 0.81 O ATOM 399 OE2 GLU A 535 0.605 -5.308 -2.161 1.00 0.69 O ATOM 0 H GLU A 535 -0.543 -2.272 1.666 1.00 0.29 H new ATOM 0 HA GLU A 535 1.982 -3.352 2.460 1.00 0.32 H new ATOM 0 HB2 GLU A 535 1.606 -4.954 0.656 1.00 0.34 H new ATOM 0 HB3 GLU A 535 0.192 -4.793 1.679 1.00 0.34 H new ATOM 0 HG2 GLU A 535 -1.045 -3.675 0.034 1.00 0.36 H new ATOM 0 HG3 GLU A 535 0.384 -3.160 -0.842 1.00 0.36 H new ATOM 406 N ARG A 536 1.805 -1.446 -0.214 1.00 0.38 N ATOM 407 CA ARG A 536 2.584 -0.735 -1.221 1.00 0.44 C ATOM 408 C ARG A 536 3.586 0.220 -0.577 1.00 0.46 C ATOM 409 O ARG A 536 4.744 0.273 -0.985 1.00 0.49 O ATOM 410 CB ARG A 536 1.645 -0.001 -2.184 1.00 0.49 C ATOM 411 CG ARG A 536 2.349 0.893 -3.188 1.00 0.59 C ATOM 412 CD ARG A 536 2.249 2.349 -2.776 1.00 0.65 C ATOM 413 NE ARG A 536 0.870 2.826 -2.820 1.00 0.70 N ATOM 414 CZ ARG A 536 0.485 4.049 -2.462 1.00 0.93 C ATOM 415 NH1 ARG A 536 1.374 4.943 -2.044 1.00 1.38 N ATOM 416 NH2 ARG A 536 -0.798 4.372 -2.533 1.00 0.94 N ATOM 0 H ARG A 536 0.814 -1.206 -0.204 1.00 0.38 H new ATOM 0 HA ARG A 536 3.162 -1.462 -1.791 1.00 0.44 H new ATOM 0 HB2 ARG A 536 1.052 -0.738 -2.726 1.00 0.49 H new ATOM 0 HB3 ARG A 536 0.949 0.604 -1.603 1.00 0.49 H new ATOM 0 HG2 ARG A 536 3.397 0.604 -3.267 1.00 0.59 H new ATOM 0 HG3 ARG A 536 1.906 0.758 -4.175 1.00 0.59 H new ATOM 0 HD2 ARG A 536 2.645 2.470 -1.768 1.00 0.65 H new ATOM 0 HD3 ARG A 536 2.867 2.958 -3.436 1.00 0.65 H new ATOM 0 HE ARG A 536 0.153 2.178 -3.147 1.00 0.70 H new ATOM 0 HH11 ARG A 536 2.362 4.695 -1.995 1.00 1.38 H new ATOM 0 HH12 ARG A 536 1.068 5.877 -1.772 1.00 1.38 H new ATOM 0 HH21 ARG A 536 -1.479 3.687 -2.859 1.00 0.94 H new ATOM 0 HH22 ARG A 536 -1.105 5.306 -2.261 1.00 0.94 H new ATOM 430 N VAL A 537 3.150 0.964 0.433 1.00 0.45 N ATOM 431 CA VAL A 537 4.047 1.875 1.139 1.00 0.49 C ATOM 432 C VAL A 537 5.104 1.089 1.903 1.00 0.45 C ATOM 433 O VAL A 537 6.269 1.476 1.943 1.00 0.48 O ATOM 434 CB VAL A 537 3.295 2.820 2.104 1.00 0.51 C ATOM 435 CG1 VAL A 537 2.296 3.658 1.335 1.00 0.55 C ATOM 436 CG2 VAL A 537 2.591 2.051 3.211 1.00 0.47 C ATOM 0 H VAL A 537 2.191 0.956 0.780 1.00 0.45 H new ATOM 0 HA VAL A 537 4.525 2.497 0.383 1.00 0.49 H new ATOM 0 HB VAL A 537 4.032 3.472 2.572 1.00 0.51 H new ATOM 0 HG11 VAL A 537 1.771 4.321 2.023 1.00 0.55 H new ATOM 0 HG12 VAL A 537 2.820 4.253 0.587 1.00 0.55 H new ATOM 0 HG13 VAL A 537 1.577 3.005 0.841 1.00 0.55 H new ATOM 0 HG21 VAL A 537 2.074 2.750 3.868 1.00 0.47 H new ATOM 0 HG22 VAL A 537 1.868 1.363 2.773 1.00 0.47 H new ATOM 0 HG23 VAL A 537 3.325 1.488 3.787 1.00 0.47 H new ATOM 446 N THR A 538 4.690 -0.020 2.500 1.00 0.40 N ATOM 447 CA THR A 538 5.615 -0.907 3.186 1.00 0.38 C ATOM 448 C THR A 538 6.620 -1.512 2.199 1.00 0.36 C ATOM 449 O THR A 538 7.796 -1.661 2.518 1.00 0.34 O ATOM 450 CB THR A 538 4.864 -2.021 3.941 1.00 0.35 C ATOM 451 OG1 THR A 538 4.124 -1.456 5.033 1.00 0.36 O ATOM 452 CG2 THR A 538 5.823 -3.075 4.468 1.00 0.36 C ATOM 0 H THR A 538 3.717 -0.326 2.522 1.00 0.40 H new ATOM 0 HA THR A 538 6.163 -0.314 3.918 1.00 0.38 H new ATOM 0 HB THR A 538 4.180 -2.500 3.240 1.00 0.35 H new ATOM 0 HG1 THR A 538 3.236 -1.184 4.720 1.00 0.36 H new ATOM 0 HG21 THR A 538 5.262 -3.846 4.995 1.00 0.36 H new ATOM 0 HG22 THR A 538 6.363 -3.525 3.635 1.00 0.36 H new ATOM 0 HG23 THR A 538 6.533 -2.611 5.152 1.00 0.36 H new ATOM 460 N LEU A 539 6.159 -1.837 0.994 1.00 0.37 N ATOM 461 CA LEU A 539 7.027 -2.359 -0.047 1.00 0.37 C ATOM 462 C LEU A 539 8.073 -1.306 -0.419 1.00 0.38 C ATOM 463 O LEU A 539 9.254 -1.610 -0.556 1.00 0.35 O ATOM 464 CB LEU A 539 6.160 -2.780 -1.250 1.00 0.42 C ATOM 465 CG LEU A 539 6.878 -3.201 -2.541 1.00 0.47 C ATOM 466 CD1 LEU A 539 7.321 -1.979 -3.326 1.00 0.52 C ATOM 467 CD2 LEU A 539 8.060 -4.112 -2.237 1.00 0.44 C ATOM 0 H LEU A 539 5.181 -1.746 0.717 1.00 0.37 H new ATOM 0 HA LEU A 539 7.568 -3.239 0.301 1.00 0.37 H new ATOM 0 HB2 LEU A 539 5.528 -3.610 -0.933 1.00 0.42 H new ATOM 0 HB3 LEU A 539 5.497 -1.949 -1.492 1.00 0.42 H new ATOM 0 HG LEU A 539 6.174 -3.764 -3.154 1.00 0.47 H new ATOM 0 HD11 LEU A 539 7.828 -2.296 -4.237 1.00 0.52 H new ATOM 0 HD12 LEU A 539 6.450 -1.378 -3.586 1.00 0.52 H new ATOM 0 HD13 LEU A 539 8.004 -1.385 -2.719 1.00 0.52 H new ATOM 0 HD21 LEU A 539 8.550 -4.395 -3.168 1.00 0.44 H new ATOM 0 HD22 LEU A 539 8.770 -3.586 -1.599 1.00 0.44 H new ATOM 0 HD23 LEU A 539 7.707 -5.008 -1.726 1.00 0.44 H new ATOM 479 N GLN A 540 7.626 -0.067 -0.562 1.00 0.43 N ATOM 480 CA GLN A 540 8.527 1.050 -0.830 1.00 0.45 C ATOM 481 C GLN A 540 9.470 1.278 0.346 1.00 0.35 C ATOM 482 O GLN A 540 10.619 1.658 0.161 1.00 0.30 O ATOM 483 CB GLN A 540 7.722 2.315 -1.110 1.00 0.58 C ATOM 484 CG GLN A 540 6.852 2.221 -2.349 1.00 0.69 C ATOM 485 CD GLN A 540 7.647 2.253 -3.643 1.00 0.73 C ATOM 486 OE1 GLN A 540 8.796 1.808 -3.708 1.00 1.05 O ATOM 487 NE2 GLN A 540 7.037 2.792 -4.684 1.00 1.55 N ATOM 0 H GLN A 540 6.642 0.193 -0.497 1.00 0.43 H new ATOM 0 HA GLN A 540 9.126 0.807 -1.708 1.00 0.45 H new ATOM 0 HB2 GLN A 540 7.090 2.531 -0.249 1.00 0.58 H new ATOM 0 HB3 GLN A 540 8.408 3.155 -1.221 1.00 0.58 H new ATOM 0 HG2 GLN A 540 6.273 1.299 -2.309 1.00 0.69 H new ATOM 0 HG3 GLN A 540 6.139 3.046 -2.348 1.00 0.69 H new ATOM 0 HE21 GLN A 540 6.086 3.149 -4.589 1.00 1.55 H new ATOM 0 HE22 GLN A 540 7.517 2.851 -5.582 1.00 1.55 H new ATOM 496 N ASN A 541 8.969 1.046 1.552 1.00 0.37 N ATOM 497 CA ASN A 541 9.785 1.116 2.765 1.00 0.34 C ATOM 498 C ASN A 541 10.866 0.038 2.719 1.00 0.25 C ATOM 499 O ASN A 541 12.035 0.293 3.021 1.00 0.25 O ATOM 500 CB ASN A 541 8.890 0.938 4.000 1.00 0.42 C ATOM 501 CG ASN A 541 9.598 1.205 5.318 1.00 0.49 C ATOM 502 OD1 ASN A 541 10.782 0.914 5.487 1.00 1.08 O ATOM 503 ND2 ASN A 541 8.870 1.778 6.263 1.00 1.21 N ATOM 0 H ASN A 541 7.992 0.805 1.721 1.00 0.37 H new ATOM 0 HA ASN A 541 10.270 2.090 2.826 1.00 0.34 H new ATOM 0 HB2 ASN A 541 8.035 1.608 3.916 1.00 0.42 H new ATOM 0 HB3 ASN A 541 8.498 -0.079 4.009 1.00 0.42 H new ATOM 0 HD21 ASN A 541 9.288 1.993 7.168 1.00 1.21 H new ATOM 0 HD22 ASN A 541 7.891 2.005 6.086 1.00 1.21 H new ATOM 510 N GLN A 542 10.467 -1.163 2.319 1.00 0.22 N ATOM 511 CA GLN A 542 11.403 -2.263 2.116 1.00 0.21 C ATOM 512 C GLN A 542 12.418 -1.894 1.045 1.00 0.18 C ATOM 513 O GLN A 542 13.616 -2.134 1.193 1.00 0.24 O ATOM 514 CB GLN A 542 10.653 -3.530 1.687 1.00 0.27 C ATOM 515 CG GLN A 542 9.696 -4.068 2.733 1.00 0.33 C ATOM 516 CD GLN A 542 10.415 -4.655 3.927 1.00 1.18 C ATOM 517 OE1 GLN A 542 10.718 -3.960 4.891 1.00 1.94 O ATOM 518 NE2 GLN A 542 10.700 -5.946 3.865 1.00 1.98 N ATOM 0 H GLN A 542 9.494 -1.401 2.127 1.00 0.22 H new ATOM 0 HA GLN A 542 11.919 -2.453 3.057 1.00 0.21 H new ATOM 0 HB2 GLN A 542 10.095 -3.318 0.775 1.00 0.27 H new ATOM 0 HB3 GLN A 542 11.380 -4.304 1.443 1.00 0.27 H new ATOM 0 HG2 GLN A 542 9.039 -3.265 3.067 1.00 0.33 H new ATOM 0 HG3 GLN A 542 9.062 -4.832 2.283 1.00 0.33 H new ATOM 0 HE21 GLN A 542 10.430 -6.489 3.045 1.00 1.98 H new ATOM 0 HE22 GLN A 542 11.189 -6.398 4.638 1.00 1.98 H new ATOM 527 N LEU A 543 11.923 -1.306 -0.034 1.00 0.19 N ATOM 528 CA LEU A 543 12.759 -0.899 -1.151 1.00 0.23 C ATOM 529 C LEU A 543 13.681 0.252 -0.750 1.00 0.16 C ATOM 530 O LEU A 543 14.806 0.347 -1.232 1.00 0.24 O ATOM 531 CB LEU A 543 11.882 -0.509 -2.346 1.00 0.34 C ATOM 532 CG LEU A 543 12.615 -0.395 -3.684 1.00 0.46 C ATOM 533 CD1 LEU A 543 11.674 -0.738 -4.826 1.00 0.61 C ATOM 534 CD2 LEU A 543 13.182 1.002 -3.879 1.00 0.43 C ATOM 0 H LEU A 543 10.932 -1.098 -0.159 1.00 0.19 H new ATOM 0 HA LEU A 543 13.388 -1.740 -1.442 1.00 0.23 H new ATOM 0 HB2 LEU A 543 11.086 -1.247 -2.448 1.00 0.34 H new ATOM 0 HB3 LEU A 543 11.405 0.447 -2.129 1.00 0.34 H new ATOM 0 HG LEU A 543 13.444 -1.102 -3.678 1.00 0.46 H new ATOM 0 HD11 LEU A 543 12.206 -0.654 -5.774 1.00 0.61 H new ATOM 0 HD12 LEU A 543 11.310 -1.758 -4.704 1.00 0.61 H new ATOM 0 HD13 LEU A 543 10.830 -0.049 -4.821 1.00 0.61 H new ATOM 0 HD21 LEU A 543 13.698 1.055 -4.838 1.00 0.43 H new ATOM 0 HD22 LEU A 543 12.371 1.730 -3.863 1.00 0.43 H new ATOM 0 HD23 LEU A 543 13.885 1.225 -3.076 1.00 0.43 H new ATOM 546 N GLN A 544 13.202 1.119 0.134 1.00 0.11 N ATOM 547 CA GLN A 544 14.013 2.207 0.657 1.00 0.20 C ATOM 548 C GLN A 544 15.239 1.649 1.364 1.00 0.29 C ATOM 549 O GLN A 544 16.362 2.084 1.122 1.00 0.37 O ATOM 550 CB GLN A 544 13.185 3.061 1.621 1.00 0.32 C ATOM 551 CG GLN A 544 14.007 4.042 2.434 1.00 0.49 C ATOM 552 CD GLN A 544 13.177 4.807 3.444 1.00 0.78 C ATOM 553 OE1 GLN A 544 12.169 4.309 3.946 1.00 1.34 O ATOM 554 NE2 GLN A 544 13.598 6.021 3.753 1.00 1.64 N ATOM 0 H GLN A 544 12.252 1.088 0.504 1.00 0.11 H new ATOM 0 HA GLN A 544 14.343 2.835 -0.171 1.00 0.20 H new ATOM 0 HB2 GLN A 544 12.437 3.613 1.051 1.00 0.32 H new ATOM 0 HB3 GLN A 544 12.645 2.403 2.302 1.00 0.32 H new ATOM 0 HG2 GLN A 544 14.798 3.502 2.955 1.00 0.49 H new ATOM 0 HG3 GLN A 544 14.493 4.748 1.760 1.00 0.49 H new ATOM 0 HE21 GLN A 544 14.439 6.396 3.314 1.00 1.64 H new ATOM 0 HE22 GLN A 544 13.082 6.583 4.431 1.00 1.64 H new ATOM 563 N GLN A 545 15.011 0.660 2.214 1.00 0.33 N ATOM 564 CA GLN A 545 16.093 -0.016 2.910 1.00 0.47 C ATOM 565 C GLN A 545 16.973 -0.767 1.917 1.00 0.50 C ATOM 566 O GLN A 545 18.184 -0.866 2.091 1.00 0.63 O ATOM 567 CB GLN A 545 15.525 -0.972 3.960 1.00 0.53 C ATOM 568 CG GLN A 545 14.803 -0.256 5.091 1.00 1.16 C ATOM 569 CD GLN A 545 14.097 -1.205 6.041 1.00 1.53 C ATOM 570 OE1 GLN A 545 14.684 -1.686 7.010 1.00 1.91 O ATOM 571 NE2 GLN A 545 12.822 -1.453 5.786 1.00 2.20 N ATOM 0 H GLN A 545 14.081 0.307 2.439 1.00 0.33 H new ATOM 0 HA GLN A 545 16.708 0.728 3.416 1.00 0.47 H new ATOM 0 HB2 GLN A 545 14.835 -1.664 3.477 1.00 0.53 H new ATOM 0 HB3 GLN A 545 16.337 -1.569 4.376 1.00 0.53 H new ATOM 0 HG2 GLN A 545 15.521 0.342 5.652 1.00 1.16 H new ATOM 0 HG3 GLN A 545 14.074 0.435 4.669 1.00 1.16 H new ATOM 0 HE21 GLN A 545 12.374 -1.033 4.971 1.00 2.20 H new ATOM 0 HE22 GLN A 545 12.288 -2.064 6.404 1.00 2.20 H new ATOM 580 N PHE A 546 16.349 -1.273 0.864 1.00 0.42 N ATOM 581 CA PHE A 546 17.044 -2.010 -0.176 1.00 0.53 C ATOM 582 C PHE A 546 17.985 -1.096 -0.973 1.00 0.61 C ATOM 583 O PHE A 546 19.154 -1.426 -1.170 1.00 0.77 O ATOM 584 CB PHE A 546 15.998 -2.689 -1.070 1.00 0.54 C ATOM 585 CG PHE A 546 16.401 -2.893 -2.503 1.00 0.68 C ATOM 586 CD1 PHE A 546 17.236 -3.934 -2.877 1.00 1.26 C ATOM 587 CD2 PHE A 546 15.923 -2.036 -3.480 1.00 0.93 C ATOM 588 CE1 PHE A 546 17.580 -4.116 -4.204 1.00 1.38 C ATOM 589 CE2 PHE A 546 16.264 -2.209 -4.800 1.00 1.03 C ATOM 590 CZ PHE A 546 17.098 -3.249 -5.166 1.00 0.99 C ATOM 0 H PHE A 546 15.345 -1.183 0.708 1.00 0.42 H new ATOM 0 HA PHE A 546 17.678 -2.776 0.271 1.00 0.53 H new ATOM 0 HB2 PHE A 546 15.753 -3.660 -0.639 1.00 0.54 H new ATOM 0 HB3 PHE A 546 15.086 -2.092 -1.049 1.00 0.54 H new ATOM 0 HD1 PHE A 546 17.621 -4.608 -2.126 1.00 1.26 H new ATOM 0 HD2 PHE A 546 15.273 -1.220 -3.201 1.00 0.93 H new ATOM 0 HE1 PHE A 546 18.225 -4.935 -4.488 1.00 1.38 H new ATOM 0 HE2 PHE A 546 15.881 -1.533 -5.550 1.00 1.03 H new ATOM 0 HZ PHE A 546 17.372 -3.384 -6.202 1.00 0.99 H new ATOM 600 N LEU A 547 17.479 0.050 -1.423 1.00 0.53 N ATOM 601 CA LEU A 547 18.293 0.999 -2.174 1.00 0.64 C ATOM 602 C LEU A 547 19.412 1.564 -1.304 1.00 0.74 C ATOM 603 O LEU A 547 20.521 1.818 -1.783 1.00 0.89 O ATOM 604 CB LEU A 547 17.415 2.119 -2.762 1.00 0.59 C ATOM 605 CG LEU A 547 16.844 3.154 -1.782 1.00 0.50 C ATOM 606 CD1 LEU A 547 17.813 4.311 -1.574 1.00 0.66 C ATOM 607 CD2 LEU A 547 15.509 3.673 -2.291 1.00 0.46 C ATOM 0 H LEU A 547 16.512 0.342 -1.281 1.00 0.53 H new ATOM 0 HA LEU A 547 18.760 0.471 -3.005 1.00 0.64 H new ATOM 0 HB2 LEU A 547 18.003 2.651 -3.510 1.00 0.59 H new ATOM 0 HB3 LEU A 547 16.580 1.653 -3.285 1.00 0.59 H new ATOM 0 HG LEU A 547 16.695 2.663 -0.820 1.00 0.50 H new ATOM 0 HD11 LEU A 547 17.380 5.027 -0.875 1.00 0.66 H new ATOM 0 HD12 LEU A 547 18.751 3.931 -1.170 1.00 0.66 H new ATOM 0 HD13 LEU A 547 18.002 4.804 -2.528 1.00 0.66 H new ATOM 0 HD21 LEU A 547 15.112 4.406 -1.589 1.00 0.46 H new ATOM 0 HD22 LEU A 547 15.648 4.142 -3.265 1.00 0.46 H new ATOM 0 HD23 LEU A 547 14.808 2.844 -2.384 1.00 0.46 H new ATOM 619 N GLU A 548 19.118 1.756 -0.026 1.00 0.69 N ATOM 620 CA GLU A 548 20.118 2.221 0.921 1.00 0.85 C ATOM 621 C GLU A 548 21.147 1.131 1.210 1.00 0.97 C ATOM 622 O GLU A 548 22.322 1.422 1.429 1.00 1.12 O ATOM 623 CB GLU A 548 19.475 2.742 2.206 1.00 0.87 C ATOM 624 CG GLU A 548 18.673 4.009 1.976 1.00 0.88 C ATOM 625 CD GLU A 548 18.384 4.764 3.251 1.00 1.55 C ATOM 626 OE1 GLU A 548 19.289 5.465 3.743 1.00 1.98 O ATOM 627 OE2 GLU A 548 17.243 4.689 3.752 1.00 2.23 O ATOM 0 H GLU A 548 18.195 1.597 0.378 1.00 0.69 H new ATOM 0 HA GLU A 548 20.644 3.059 0.463 1.00 0.85 H new ATOM 0 HB2 GLU A 548 18.824 1.973 2.621 1.00 0.87 H new ATOM 0 HB3 GLU A 548 20.252 2.936 2.946 1.00 0.87 H new ATOM 0 HG2 GLU A 548 19.219 4.658 1.291 1.00 0.88 H new ATOM 0 HG3 GLU A 548 17.731 3.753 1.490 1.00 0.88 H new ATOM 634 N ALA A 549 20.703 -0.120 1.214 1.00 0.93 N ATOM 635 CA ALA A 549 21.619 -1.251 1.315 1.00 1.09 C ATOM 636 C ALA A 549 22.599 -1.244 0.142 1.00 1.20 C ATOM 637 O ALA A 549 23.758 -1.642 0.282 1.00 1.35 O ATOM 638 CB ALA A 549 20.850 -2.564 1.358 1.00 1.06 C ATOM 0 H ALA A 549 19.718 -0.377 1.149 1.00 0.93 H new ATOM 0 HA ALA A 549 22.183 -1.156 2.243 1.00 1.09 H new ATOM 0 HB1 ALA A 549 21.552 -3.394 1.433 1.00 1.06 H new ATOM 0 HB2 ALA A 549 20.187 -2.569 2.223 1.00 1.06 H new ATOM 0 HB3 ALA A 549 20.259 -2.670 0.448 1.00 1.06 H new ATOM 644 N GLN A 550 22.124 -0.781 -1.017 1.00 1.15 N ATOM 645 CA GLN A 550 22.977 -0.623 -2.193 1.00 1.31 C ATOM 646 C GLN A 550 24.048 0.430 -1.920 1.00 1.43 C ATOM 647 O GLN A 550 25.195 0.287 -2.339 1.00 1.65 O ATOM 648 CB GLN A 550 22.160 -0.202 -3.418 1.00 1.26 C ATOM 649 CG GLN A 550 20.996 -1.122 -3.745 1.00 1.20 C ATOM 650 CD GLN A 550 20.319 -0.746 -5.051 1.00 1.71 C ATOM 651 OE1 GLN A 550 21.103 -0.267 -6.004 1.00 2.38 O flip ATOM 652 NE2 GLN A 550 19.110 -0.902 -5.212 1.00 2.29 N flip ATOM 0 H GLN A 550 21.152 -0.509 -1.164 1.00 1.15 H new ATOM 0 HA GLN A 550 23.444 -1.586 -2.399 1.00 1.31 H new ATOM 0 HB2 GLN A 550 21.776 0.805 -3.254 1.00 1.26 H new ATOM 0 HB3 GLN A 550 22.823 -0.154 -4.282 1.00 1.26 H new ATOM 0 HG2 GLN A 550 21.353 -2.150 -3.805 1.00 1.20 H new ATOM 0 HG3 GLN A 550 20.267 -1.085 -2.936 1.00 1.20 H new ATOM 0 HE21 GLN A 550 18.538 -1.274 -4.454 1.00 2.29 H new ATOM 0 HE22 GLN A 550 18.679 -0.659 -6.104 1.00 2.29 H new ATOM 661 N LYS A 551 23.657 1.493 -1.209 1.00 1.33 N ATOM 662 CA LYS A 551 24.592 2.539 -0.793 1.00 1.50 C ATOM 663 C LYS A 551 25.701 1.929 0.042 1.00 1.72 C ATOM 664 O LYS A 551 26.877 2.193 -0.185 1.00 2.01 O ATOM 665 CB LYS A 551 23.878 3.616 0.031 1.00 1.43 C ATOM 666 CG LYS A 551 22.705 4.276 -0.674 1.00 1.36 C ATOM 667 CD LYS A 551 23.161 5.223 -1.768 1.00 1.66 C ATOM 668 CE LYS A 551 21.982 5.956 -2.389 1.00 1.93 C ATOM 669 NZ LYS A 551 22.415 6.924 -3.430 1.00 2.36 N ATOM 0 H LYS A 551 22.695 1.650 -0.910 1.00 1.33 H new ATOM 0 HA LYS A 551 25.008 3.001 -1.689 1.00 1.50 H new ATOM 0 HB2 LYS A 551 23.522 3.169 0.959 1.00 1.43 H new ATOM 0 HB3 LYS A 551 24.601 4.385 0.304 1.00 1.43 H new ATOM 0 HG2 LYS A 551 22.061 3.508 -1.104 1.00 1.36 H new ATOM 0 HG3 LYS A 551 22.106 4.824 0.054 1.00 1.36 H new ATOM 0 HD2 LYS A 551 23.866 5.946 -1.356 1.00 1.66 H new ATOM 0 HD3 LYS A 551 23.691 4.664 -2.539 1.00 1.66 H new ATOM 0 HE2 LYS A 551 21.296 5.232 -2.830 1.00 1.93 H new ATOM 0 HE3 LYS A 551 21.432 6.483 -1.610 1.00 1.93 H new ATOM 0 HZ1 LYS A 551 21.581 7.402 -3.828 1.00 2.36 H new ATOM 0 HZ2 LYS A 551 23.049 7.630 -3.005 1.00 2.36 H new ATOM 0 HZ3 LYS A 551 22.918 6.418 -4.187 1.00 2.36 H new ATOM 683 N SER A 552 25.308 1.098 1.000 1.00 1.61 N ATOM 684 CA SER A 552 26.253 0.416 1.871 1.00 1.82 C ATOM 685 C SER A 552 27.213 -0.458 1.062 1.00 1.95 C ATOM 686 O SER A 552 28.381 -0.600 1.416 1.00 2.23 O ATOM 687 CB SER A 552 25.487 -0.417 2.895 1.00 1.69 C ATOM 688 OG SER A 552 24.517 0.381 3.557 1.00 1.76 O ATOM 0 H SER A 552 24.330 0.880 1.193 1.00 1.61 H new ATOM 0 HA SER A 552 26.854 1.160 2.395 1.00 1.82 H new ATOM 0 HB2 SER A 552 24.999 -1.256 2.399 1.00 1.69 H new ATOM 0 HB3 SER A 552 26.181 -0.837 3.624 1.00 1.69 H new ATOM 0 HG SER A 552 24.033 -0.167 4.209 1.00 1.76 H new ATOM 694 N GLU A 553 26.722 -1.023 -0.036 1.00 1.81 N ATOM 695 CA GLU A 553 27.562 -1.809 -0.932 1.00 2.00 C ATOM 696 C GLU A 553 28.532 -0.908 -1.689 1.00 2.25 C ATOM 697 O GLU A 553 29.730 -1.184 -1.766 1.00 2.55 O ATOM 698 CB GLU A 553 26.700 -2.582 -1.928 1.00 1.88 C ATOM 699 CG GLU A 553 25.864 -3.671 -1.289 1.00 1.75 C ATOM 700 CD GLU A 553 26.706 -4.748 -0.640 1.00 1.97 C ATOM 701 OE1 GLU A 553 27.657 -5.228 -1.287 1.00 1.91 O ATOM 702 OE2 GLU A 553 26.435 -5.101 0.527 1.00 2.46 O ATOM 0 H GLU A 553 25.747 -0.951 -0.327 1.00 1.81 H new ATOM 0 HA GLU A 553 28.133 -2.514 -0.328 1.00 2.00 H new ATOM 0 HB2 GLU A 553 26.040 -1.884 -2.443 1.00 1.88 H new ATOM 0 HB3 GLU A 553 27.345 -3.028 -2.685 1.00 1.88 H new ATOM 0 HG2 GLU A 553 25.208 -3.228 -0.540 1.00 1.75 H new ATOM 0 HG3 GLU A 553 25.223 -4.123 -2.046 1.00 1.75 H new ATOM 709 N GLY A 554 28.000 0.177 -2.241 1.00 2.16 N ATOM 710 CA GLY A 554 28.806 1.102 -3.014 1.00 2.43 C ATOM 711 C GLY A 554 29.848 1.812 -2.172 1.00 2.68 C ATOM 712 O GLY A 554 30.989 1.994 -2.608 1.00 2.98 O ATOM 0 H GLY A 554 27.016 0.433 -2.165 1.00 2.16 H new ATOM 0 HA2 GLY A 554 29.302 0.560 -3.819 1.00 2.43 H new ATOM 0 HA3 GLY A 554 28.156 1.842 -3.481 1.00 2.43 H new ATOM 716 N LYS A 555 29.462 2.204 -0.964 1.00 2.59 N ATOM 717 CA LYS A 555 30.370 2.894 -0.053 1.00 2.88 C ATOM 718 C LYS A 555 31.354 1.921 0.589 1.00 3.09 C ATOM 719 O LYS A 555 32.350 2.338 1.180 1.00 3.44 O ATOM 720 CB LYS A 555 29.580 3.611 1.044 1.00 2.82 C ATOM 721 CG LYS A 555 28.981 2.673 2.079 1.00 2.71 C ATOM 722 CD LYS A 555 28.203 3.427 3.145 1.00 2.71 C ATOM 723 CE LYS A 555 29.120 4.283 4.010 1.00 2.99 C ATOM 724 NZ LYS A 555 30.033 3.451 4.842 1.00 3.58 N ATOM 0 H LYS A 555 28.524 2.056 -0.591 1.00 2.59 H new ATOM 0 HA LYS A 555 30.931 3.624 -0.637 1.00 2.88 H new ATOM 0 HB2 LYS A 555 30.237 4.321 1.547 1.00 2.82 H new ATOM 0 HB3 LYS A 555 28.779 4.189 0.584 1.00 2.82 H new ATOM 0 HG2 LYS A 555 28.321 1.960 1.584 1.00 2.71 H new ATOM 0 HG3 LYS A 555 29.777 2.097 2.550 1.00 2.71 H new ATOM 0 HD2 LYS A 555 27.454 4.061 2.670 1.00 2.71 H new ATOM 0 HD3 LYS A 555 27.666 2.717 3.775 1.00 2.71 H new ATOM 0 HE2 LYS A 555 29.709 4.942 3.373 1.00 2.99 H new ATOM 0 HE3 LYS A 555 28.518 4.920 4.658 1.00 2.99 H new ATOM 0 HZ1 LYS A 555 30.480 4.046 5.568 1.00 3.58 H new ATOM 0 HZ2 LYS A 555 29.489 2.693 5.302 1.00 3.58 H new ATOM 0 HZ3 LYS A 555 30.768 3.031 4.237 1.00 3.58 H new ATOM 738 N SER A 556 31.064 0.628 0.484 1.00 2.91 N ATOM 739 CA SER A 556 31.899 -0.396 1.097 1.00 3.12 C ATOM 740 C SER A 556 33.208 -0.553 0.332 1.00 3.40 C ATOM 741 O SER A 556 33.333 -1.406 -0.552 1.00 3.67 O ATOM 742 CB SER A 556 31.159 -1.736 1.155 1.00 2.84 C ATOM 743 OG SER A 556 31.873 -2.695 1.925 1.00 3.07 O ATOM 0 H SER A 556 30.255 0.265 -0.021 1.00 2.91 H new ATOM 0 HA SER A 556 32.126 -0.080 2.115 1.00 3.12 H new ATOM 0 HB2 SER A 556 30.169 -1.587 1.585 1.00 2.84 H new ATOM 0 HB3 SER A 556 31.013 -2.116 0.144 1.00 2.84 H new ATOM 0 HG SER A 556 31.373 -3.538 1.943 1.00 3.07 H new ATOM 749 N LEU A 557 34.165 0.290 0.667 1.00 3.70 N ATOM 750 CA LEU A 557 35.497 0.204 0.105 1.00 4.05 C ATOM 751 C LEU A 557 36.447 -0.307 1.174 1.00 4.48 C ATOM 752 O LEU A 557 36.719 -1.521 1.200 1.00 4.98 O ATOM 753 CB LEU A 557 35.954 1.576 -0.407 1.00 4.73 C ATOM 754 CG LEU A 557 35.010 2.246 -1.410 1.00 5.04 C ATOM 755 CD1 LEU A 557 35.569 3.591 -1.849 1.00 5.74 C ATOM 756 CD2 LEU A 557 34.780 1.344 -2.614 1.00 5.35 C ATOM 757 OXT LEU A 557 36.860 0.502 2.028 1.00 4.73 O ATOM 0 H LEU A 557 34.041 1.051 1.334 1.00 3.70 H new ATOM 0 HA LEU A 557 35.493 -0.484 -0.740 1.00 4.05 H new ATOM 0 HB2 LEU A 557 36.081 2.241 0.447 1.00 4.73 H new ATOM 0 HB3 LEU A 557 36.933 1.464 -0.873 1.00 4.73 H new ATOM 0 HG LEU A 557 34.051 2.414 -0.921 1.00 5.04 H new ATOM 0 HD11 LEU A 557 34.886 4.054 -2.562 1.00 5.74 H new ATOM 0 HD12 LEU A 557 35.681 4.240 -0.980 1.00 5.74 H new ATOM 0 HD13 LEU A 557 36.541 3.445 -2.320 1.00 5.74 H new ATOM 0 HD21 LEU A 557 34.107 1.837 -3.315 1.00 5.35 H new ATOM 0 HD22 LEU A 557 35.732 1.143 -3.105 1.00 5.35 H new ATOM 0 HD23 LEU A 557 34.336 0.404 -2.285 1.00 5.35 H new TER 769 LEU A 557