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 541 ASN : amide:sc= 0.351 K(o=1.1,f=-1.9!) USER MOD Set 1.2: A 545 GLN : amide:sc= 0.781 K(o=1.1,f=-0.73) USER MOD Single : A 511 SER OG : rot 180:sc= 0 USER MOD Single : A 514 THR OG1 : rot 180:sc= 0.0146 USER MOD Single : A 515 CYS SG : rot 180:sc= -0.0519 USER MOD Single : A 516 MET CE :methyl 163:sc= -0.12 (180deg=-0.619) USER MOD Single : A 517 SER OG : rot 88:sc= 0.00312 USER MOD Single : A 520 SER OG : rot -76:sc= 1.32 USER MOD Single : A 521 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 524 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0126) USER MOD Single : A 526 THR OG1 : rot 180:sc= 0 USER MOD Single : A 527 LYS NZ :NH3+ 169:sc= -0.0182 (180deg=-0.178) USER MOD Single : A 528 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 530 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0599) USER MOD Single : A 532 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 533 THR OG1 : rot 65:sc= 1.45 USER MOD Single : A 538 THR OG1 : rot 100:sc= 1.27 USER MOD Single : A 540 GLN : amide:sc= -2.39! K(o=-2.4!,f=-0.0087) USER MOD Single : A 542 GLN : amide:sc= -0.0861 X(o=-0.086,f=-0.069) USER MOD Single : A 544 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 550 GLN : amide:sc= -2.09! C(o=-2.1!,f=-7.1!) USER MOD Single : A 551 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 552 SER OG : rot 66:sc= 1.1 USER MOD Single : A 555 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 556 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 510 -36.049 3.736 3.112 1.00 9.10 N ATOM 2 CA GLY A 510 -35.479 5.007 3.626 1.00 8.55 C ATOM 3 C GLY A 510 -34.942 4.871 5.037 1.00 7.83 C ATOM 4 O GLY A 510 -34.594 5.865 5.677 1.00 8.04 O ATOM 0 HA2 GLY A 510 -34.677 5.336 2.965 1.00 8.55 H new ATOM 0 HA3 GLY A 510 -36.246 5.781 3.605 1.00 8.55 H new ATOM 10 N SER A 511 -34.867 3.639 5.520 1.00 7.22 N ATOM 11 CA SER A 511 -34.376 3.374 6.863 1.00 6.73 C ATOM 12 C SER A 511 -32.898 3.000 6.830 1.00 6.19 C ATOM 13 O SER A 511 -32.412 2.270 7.697 1.00 5.90 O ATOM 14 CB SER A 511 -35.192 2.249 7.500 1.00 6.95 C ATOM 15 OG SER A 511 -36.576 2.555 7.489 1.00 7.47 O ATOM 0 H SER A 511 -35.141 2.806 4.999 1.00 7.22 H new ATOM 0 HA SER A 511 -34.487 4.278 7.461 1.00 6.73 H new ATOM 0 HB2 SER A 511 -35.018 1.318 6.960 1.00 6.95 H new ATOM 0 HB3 SER A 511 -34.859 2.090 8.526 1.00 6.95 H new ATOM 0 HG SER A 511 -37.077 1.820 7.900 1.00 7.47 H new ATOM 21 N VAL A 512 -32.194 3.509 5.814 1.00 6.20 N ATOM 22 CA VAL A 512 -30.776 3.235 5.617 1.00 5.78 C ATOM 23 C VAL A 512 -30.557 1.738 5.354 1.00 5.49 C ATOM 24 O VAL A 512 -29.445 1.223 5.435 1.00 5.11 O ATOM 25 CB VAL A 512 -29.927 3.711 6.825 1.00 6.06 C ATOM 26 CG1 VAL A 512 -28.458 3.755 6.453 1.00 5.88 C ATOM 27 CG2 VAL A 512 -30.382 5.083 7.312 1.00 6.40 C ATOM 0 H VAL A 512 -32.597 4.123 5.106 1.00 6.20 H new ATOM 0 HA VAL A 512 -30.444 3.799 4.745 1.00 5.78 H new ATOM 0 HB VAL A 512 -30.069 2.996 7.635 1.00 6.06 H new ATOM 0 HG11 VAL A 512 -27.875 4.091 7.311 1.00 5.88 H new ATOM 0 HG12 VAL A 512 -28.128 2.759 6.157 1.00 5.88 H new ATOM 0 HG13 VAL A 512 -28.313 4.447 5.623 1.00 5.88 H new ATOM 0 HG21 VAL A 512 -29.769 5.390 8.159 1.00 6.40 H new ATOM 0 HG22 VAL A 512 -30.277 5.809 6.506 1.00 6.40 H new ATOM 0 HG23 VAL A 512 -31.426 5.032 7.620 1.00 6.40 H new ATOM 37 N GLU A 513 -31.635 1.056 4.988 1.00 5.73 N ATOM 38 CA GLU A 513 -31.602 -0.383 4.771 1.00 5.58 C ATOM 39 C GLU A 513 -30.730 -0.731 3.569 1.00 5.26 C ATOM 40 O GLU A 513 -29.952 -1.686 3.605 1.00 4.95 O ATOM 41 CB GLU A 513 -33.021 -0.944 4.592 1.00 6.03 C ATOM 42 CG GLU A 513 -33.769 -0.440 3.358 1.00 6.54 C ATOM 43 CD GLU A 513 -34.146 1.026 3.433 1.00 7.02 C ATOM 44 OE1 GLU A 513 -35.224 1.340 3.970 1.00 7.40 O ATOM 45 OE2 GLU A 513 -33.365 1.874 2.960 1.00 7.27 O ATOM 0 H GLU A 513 -32.549 1.481 4.834 1.00 5.73 H new ATOM 0 HA GLU A 513 -31.164 -0.846 5.655 1.00 5.58 H new ATOM 0 HB2 GLU A 513 -32.961 -2.031 4.542 1.00 6.03 H new ATOM 0 HB3 GLU A 513 -33.606 -0.698 5.478 1.00 6.03 H new ATOM 0 HG2 GLU A 513 -33.149 -0.602 2.476 1.00 6.54 H new ATOM 0 HG3 GLU A 513 -34.674 -1.033 3.225 1.00 6.54 H new ATOM 52 N THR A 514 -30.865 0.051 2.510 1.00 5.38 N ATOM 53 CA THR A 514 -30.081 -0.145 1.305 1.00 5.15 C ATOM 54 C THR A 514 -28.791 0.660 1.370 1.00 4.74 C ATOM 55 O THR A 514 -27.733 0.208 0.926 1.00 4.68 O ATOM 56 CB THR A 514 -30.880 0.283 0.065 1.00 5.39 C ATOM 57 OG1 THR A 514 -31.413 1.598 0.276 1.00 5.70 O ATOM 58 CG2 THR A 514 -32.011 -0.694 -0.220 1.00 5.67 C ATOM 0 H THR A 514 -31.517 0.834 2.463 1.00 5.38 H new ATOM 0 HA THR A 514 -29.841 -1.206 1.231 1.00 5.15 H new ATOM 0 HB THR A 514 -30.212 0.288 -0.796 1.00 5.39 H new ATOM 0 HG1 THR A 514 -31.922 1.875 -0.514 1.00 5.70 H new ATOM 0 HG21 THR A 514 -32.560 -0.367 -1.103 1.00 5.67 H new ATOM 0 HG22 THR A 514 -31.598 -1.687 -0.397 1.00 5.67 H new ATOM 0 HG23 THR A 514 -32.686 -0.729 0.635 1.00 5.67 H new ATOM 66 N CYS A 515 -28.893 1.851 1.946 1.00 4.56 N ATOM 67 CA CYS A 515 -27.760 2.754 2.047 1.00 4.21 C ATOM 68 C CYS A 515 -26.657 2.152 2.908 1.00 3.93 C ATOM 69 O CYS A 515 -25.481 2.299 2.599 1.00 3.56 O ATOM 70 CB CYS A 515 -28.201 4.108 2.602 1.00 4.40 C ATOM 71 SG CYS A 515 -26.877 5.332 2.727 1.00 4.96 S ATOM 0 H CYS A 515 -29.756 2.213 2.352 1.00 4.56 H new ATOM 0 HA CYS A 515 -27.358 2.907 1.045 1.00 4.21 H new ATOM 0 HB2 CYS A 515 -28.990 4.508 1.965 1.00 4.40 H new ATOM 0 HB3 CYS A 515 -28.635 3.958 3.591 1.00 4.40 H new ATOM 0 HG CYS A 515 -27.356 6.442 3.205 1.00 4.96 H new ATOM 77 N MET A 516 -27.031 1.453 3.971 1.00 4.13 N ATOM 78 CA MET A 516 -26.040 0.808 4.825 1.00 3.95 C ATOM 79 C MET A 516 -25.254 -0.231 4.035 1.00 3.70 C ATOM 80 O MET A 516 -24.053 -0.393 4.232 1.00 3.40 O ATOM 81 CB MET A 516 -26.701 0.153 6.041 1.00 4.28 C ATOM 82 CG MET A 516 -25.712 -0.529 6.975 1.00 4.27 C ATOM 83 SD MET A 516 -26.497 -1.190 8.459 1.00 4.83 S ATOM 84 CE MET A 516 -27.666 -2.346 7.743 1.00 5.80 C ATOM 0 H MET A 516 -28.000 1.318 4.261 1.00 4.13 H new ATOM 0 HA MET A 516 -25.355 1.577 5.182 1.00 3.95 H new ATOM 0 HB2 MET A 516 -27.251 0.911 6.598 1.00 4.28 H new ATOM 0 HB3 MET A 516 -27.430 -0.581 5.697 1.00 4.28 H new ATOM 0 HG2 MET A 516 -25.214 -1.338 6.441 1.00 4.27 H new ATOM 0 HG3 MET A 516 -24.940 0.185 7.264 1.00 4.27 H new ATOM 0 HE1 MET A 516 -28.007 -3.041 8.510 1.00 5.80 H new ATOM 0 HE2 MET A 516 -28.520 -1.799 7.343 1.00 5.80 H new ATOM 0 HE3 MET A 516 -27.183 -2.901 6.939 1.00 5.80 H new ATOM 94 N SER A 517 -25.936 -0.916 3.127 1.00 3.87 N ATOM 95 CA SER A 517 -25.301 -1.930 2.306 1.00 3.73 C ATOM 96 C SER A 517 -24.337 -1.303 1.295 1.00 3.38 C ATOM 97 O SER A 517 -23.202 -1.757 1.154 1.00 3.11 O ATOM 98 CB SER A 517 -26.367 -2.760 1.592 1.00 4.09 C ATOM 99 OG SER A 517 -27.276 -3.321 2.527 1.00 4.52 O ATOM 0 H SER A 517 -26.931 -0.785 2.942 1.00 3.87 H new ATOM 0 HA SER A 517 -24.717 -2.583 2.955 1.00 3.73 H new ATOM 0 HB2 SER A 517 -26.908 -2.134 0.882 1.00 4.09 H new ATOM 0 HB3 SER A 517 -25.892 -3.555 1.018 1.00 4.09 H new ATOM 0 HG SER A 517 -28.001 -2.685 2.701 1.00 4.52 H new ATOM 105 N LEU A 518 -24.779 -0.259 0.600 1.00 3.41 N ATOM 106 CA LEU A 518 -23.918 0.411 -0.366 1.00 3.15 C ATOM 107 C LEU A 518 -22.761 1.140 0.318 1.00 2.83 C ATOM 108 O LEU A 518 -21.619 1.054 -0.128 1.00 2.54 O ATOM 109 CB LEU A 518 -24.715 1.351 -1.288 1.00 3.32 C ATOM 110 CG LEU A 518 -25.717 2.314 -0.633 1.00 3.52 C ATOM 111 CD1 LEU A 518 -25.042 3.603 -0.191 1.00 3.34 C ATOM 112 CD2 LEU A 518 -26.859 2.621 -1.591 1.00 3.86 C ATOM 0 H LEU A 518 -25.715 0.136 0.686 1.00 3.41 H new ATOM 0 HA LEU A 518 -23.483 -0.364 -0.997 1.00 3.15 H new ATOM 0 HB2 LEU A 518 -24.001 1.946 -1.858 1.00 3.32 H new ATOM 0 HB3 LEU A 518 -25.260 0.736 -2.004 1.00 3.32 H new ATOM 0 HG LEU A 518 -26.118 1.824 0.254 1.00 3.52 H new ATOM 0 HD11 LEU A 518 -25.780 4.261 0.268 1.00 3.34 H new ATOM 0 HD12 LEU A 518 -24.260 3.374 0.533 1.00 3.34 H new ATOM 0 HD13 LEU A 518 -24.602 4.099 -1.056 1.00 3.34 H new ATOM 0 HD21 LEU A 518 -27.561 3.304 -1.113 1.00 3.86 H new ATOM 0 HD22 LEU A 518 -26.462 3.083 -2.495 1.00 3.86 H new ATOM 0 HD23 LEU A 518 -27.374 1.696 -1.852 1.00 3.86 H new ATOM 124 N ALA A 519 -23.057 1.830 1.412 1.00 2.92 N ATOM 125 CA ALA A 519 -22.050 2.599 2.138 1.00 2.71 C ATOM 126 C ALA A 519 -20.949 1.698 2.687 1.00 2.50 C ATOM 127 O ALA A 519 -19.767 2.032 2.599 1.00 2.24 O ATOM 128 CB ALA A 519 -22.695 3.384 3.267 1.00 2.96 C ATOM 0 H ALA A 519 -23.991 1.874 1.819 1.00 2.92 H new ATOM 0 HA ALA A 519 -21.595 3.296 1.434 1.00 2.71 H new ATOM 0 HB1 ALA A 519 -21.931 3.952 3.798 1.00 2.96 H new ATOM 0 HB2 ALA A 519 -23.436 4.069 2.856 1.00 2.96 H new ATOM 0 HB3 ALA A 519 -23.181 2.695 3.958 1.00 2.96 H new ATOM 134 N SER A 520 -21.337 0.553 3.245 1.00 2.66 N ATOM 135 CA SER A 520 -20.367 -0.396 3.779 1.00 2.54 C ATOM 136 C SER A 520 -19.537 -0.995 2.651 1.00 2.31 C ATOM 137 O SER A 520 -18.347 -1.246 2.818 1.00 2.10 O ATOM 138 CB SER A 520 -21.062 -1.500 4.578 1.00 2.83 C ATOM 139 OG SER A 520 -22.071 -2.137 3.809 1.00 2.98 O ATOM 0 H SER A 520 -22.310 0.263 3.338 1.00 2.66 H new ATOM 0 HA SER A 520 -19.702 0.141 4.455 1.00 2.54 H new ATOM 0 HB2 SER A 520 -20.326 -2.238 4.899 1.00 2.83 H new ATOM 0 HB3 SER A 520 -21.503 -1.076 5.480 1.00 2.83 H new ATOM 0 HG SER A 520 -22.861 -1.559 3.763 1.00 2.98 H new ATOM 145 N GLN A 521 -20.169 -1.210 1.502 1.00 2.40 N ATOM 146 CA GLN A 521 -19.464 -1.701 0.328 1.00 2.26 C ATOM 147 C GLN A 521 -18.410 -0.685 -0.104 1.00 1.95 C ATOM 148 O GLN A 521 -17.257 -1.038 -0.336 1.00 1.75 O ATOM 149 CB GLN A 521 -20.447 -1.983 -0.809 1.00 2.49 C ATOM 150 CG GLN A 521 -19.781 -2.454 -2.091 1.00 2.84 C ATOM 151 CD GLN A 521 -20.779 -2.873 -3.151 1.00 3.23 C ATOM 152 OE1 GLN A 521 -21.150 -4.046 -3.247 1.00 3.85 O ATOM 153 NE2 GLN A 521 -21.226 -1.920 -3.954 1.00 3.40 N ATOM 0 H GLN A 521 -21.167 -1.052 1.361 1.00 2.40 H new ATOM 0 HA GLN A 521 -18.965 -2.637 0.579 1.00 2.26 H new ATOM 0 HB2 GLN A 521 -21.160 -2.740 -0.481 1.00 2.49 H new ATOM 0 HB3 GLN A 521 -21.017 -1.077 -1.018 1.00 2.49 H new ATOM 0 HG2 GLN A 521 -19.154 -1.654 -2.485 1.00 2.84 H new ATOM 0 HG3 GLN A 521 -19.123 -3.293 -1.866 1.00 2.84 H new ATOM 0 HE21 GLN A 521 -20.895 -0.962 -3.842 1.00 3.40 H new ATOM 0 HE22 GLN A 521 -21.902 -2.144 -4.684 1.00 3.40 H new ATOM 162 N VAL A 522 -18.809 0.580 -0.178 1.00 1.94 N ATOM 163 CA VAL A 522 -17.876 1.662 -0.479 1.00 1.71 C ATOM 164 C VAL A 522 -16.753 1.694 0.555 1.00 1.52 C ATOM 165 O VAL A 522 -15.584 1.893 0.219 1.00 1.28 O ATOM 166 CB VAL A 522 -18.588 3.034 -0.512 1.00 1.86 C ATOM 167 CG1 VAL A 522 -17.598 4.157 -0.786 1.00 1.69 C ATOM 168 CG2 VAL A 522 -19.694 3.037 -1.554 1.00 2.07 C ATOM 0 H VAL A 522 -19.772 0.882 -0.034 1.00 1.94 H new ATOM 0 HA VAL A 522 -17.459 1.470 -1.467 1.00 1.71 H new ATOM 0 HB VAL A 522 -19.033 3.205 0.468 1.00 1.86 H new ATOM 0 HG11 VAL A 522 -18.125 5.111 -0.804 1.00 1.69 H new ATOM 0 HG12 VAL A 522 -16.842 4.175 -0.001 1.00 1.69 H new ATOM 0 HG13 VAL A 522 -17.117 3.991 -1.750 1.00 1.69 H new ATOM 0 HG21 VAL A 522 -20.183 4.011 -1.562 1.00 2.07 H new ATOM 0 HG22 VAL A 522 -19.268 2.836 -2.537 1.00 2.07 H new ATOM 0 HG23 VAL A 522 -20.425 2.266 -1.311 1.00 2.07 H new ATOM 178 N VAL A 523 -17.119 1.479 1.813 1.00 1.66 N ATOM 179 CA VAL A 523 -16.162 1.415 2.902 1.00 1.58 C ATOM 180 C VAL A 523 -15.190 0.250 2.702 1.00 1.41 C ATOM 181 O VAL A 523 -13.992 0.386 2.940 1.00 1.24 O ATOM 182 CB VAL A 523 -16.901 1.295 4.256 1.00 1.85 C ATOM 183 CG1 VAL A 523 -16.031 0.650 5.311 1.00 1.86 C ATOM 184 CG2 VAL A 523 -17.376 2.663 4.720 1.00 1.98 C ATOM 0 H VAL A 523 -18.088 1.345 2.103 1.00 1.66 H new ATOM 0 HA VAL A 523 -15.580 2.337 2.909 1.00 1.58 H new ATOM 0 HB VAL A 523 -17.768 0.651 4.107 1.00 1.85 H new ATOM 0 HG11 VAL A 523 -16.584 0.583 6.248 1.00 1.86 H new ATOM 0 HG12 VAL A 523 -15.746 -0.350 4.986 1.00 1.86 H new ATOM 0 HG13 VAL A 523 -15.135 1.252 5.461 1.00 1.86 H new ATOM 0 HG21 VAL A 523 -17.894 2.564 5.674 1.00 1.98 H new ATOM 0 HG22 VAL A 523 -16.518 3.325 4.840 1.00 1.98 H new ATOM 0 HG23 VAL A 523 -18.057 3.082 3.979 1.00 1.98 H new ATOM 194 N LYS A 524 -15.707 -0.886 2.244 1.00 1.52 N ATOM 195 CA LYS A 524 -14.868 -2.042 1.949 1.00 1.44 C ATOM 196 C LYS A 524 -13.912 -1.746 0.796 1.00 1.21 C ATOM 197 O LYS A 524 -12.753 -2.153 0.831 1.00 1.07 O ATOM 198 CB LYS A 524 -15.718 -3.275 1.630 1.00 1.69 C ATOM 199 CG LYS A 524 -15.858 -4.241 2.797 1.00 1.91 C ATOM 200 CD LYS A 524 -16.703 -3.652 3.911 1.00 2.09 C ATOM 201 CE LYS A 524 -16.661 -4.506 5.172 1.00 2.33 C ATOM 202 NZ LYS A 524 -17.183 -5.879 4.939 1.00 2.48 N ATOM 0 H LYS A 524 -16.702 -1.030 2.069 1.00 1.52 H new ATOM 0 HA LYS A 524 -14.278 -2.254 2.840 1.00 1.44 H new ATOM 0 HB2 LYS A 524 -16.711 -2.950 1.318 1.00 1.69 H new ATOM 0 HB3 LYS A 524 -15.275 -3.802 0.785 1.00 1.69 H new ATOM 0 HG2 LYS A 524 -16.310 -5.170 2.449 1.00 1.91 H new ATOM 0 HG3 LYS A 524 -14.870 -4.492 3.183 1.00 1.91 H new ATOM 0 HD2 LYS A 524 -16.349 -2.647 4.142 1.00 2.09 H new ATOM 0 HD3 LYS A 524 -17.735 -3.557 3.572 1.00 2.09 H new ATOM 0 HE2 LYS A 524 -15.635 -4.566 5.534 1.00 2.33 H new ATOM 0 HE3 LYS A 524 -17.247 -4.024 5.955 1.00 2.33 H new ATOM 0 HZ1 LYS A 524 -17.183 -6.407 5.835 1.00 2.48 H new ATOM 0 HZ2 LYS A 524 -18.154 -5.823 4.570 1.00 2.48 H new ATOM 0 HZ3 LYS A 524 -16.578 -6.368 4.249 1.00 2.48 H new ATOM 216 N LEU A 525 -14.397 -1.029 -0.220 1.00 1.21 N ATOM 217 CA LEU A 525 -13.541 -0.588 -1.322 1.00 1.06 C ATOM 218 C LEU A 525 -12.446 0.332 -0.800 1.00 0.82 C ATOM 219 O LEU A 525 -11.287 0.221 -1.195 1.00 0.67 O ATOM 220 CB LEU A 525 -14.349 0.134 -2.412 1.00 1.19 C ATOM 221 CG LEU A 525 -14.919 -0.763 -3.512 1.00 1.42 C ATOM 222 CD1 LEU A 525 -15.953 -1.721 -2.951 1.00 1.62 C ATOM 223 CD2 LEU A 525 -15.525 0.084 -4.617 1.00 1.56 C ATOM 0 H LEU A 525 -15.373 -0.743 -0.302 1.00 1.21 H new ATOM 0 HA LEU A 525 -13.091 -1.476 -1.766 1.00 1.06 H new ATOM 0 HB2 LEU A 525 -15.174 0.665 -1.937 1.00 1.19 H new ATOM 0 HB3 LEU A 525 -13.710 0.886 -2.875 1.00 1.19 H new ATOM 0 HG LEU A 525 -14.103 -1.354 -3.928 1.00 1.42 H new ATOM 0 HD11 LEU A 525 -16.342 -2.347 -3.754 1.00 1.62 H new ATOM 0 HD12 LEU A 525 -15.491 -2.351 -2.191 1.00 1.62 H new ATOM 0 HD13 LEU A 525 -16.770 -1.154 -2.504 1.00 1.62 H new ATOM 0 HD21 LEU A 525 -15.927 -0.566 -5.394 1.00 1.56 H new ATOM 0 HD22 LEU A 525 -16.326 0.698 -4.207 1.00 1.56 H new ATOM 0 HD23 LEU A 525 -14.757 0.728 -5.044 1.00 1.56 H new ATOM 235 N THR A 526 -12.816 1.216 0.116 1.00 0.84 N ATOM 236 CA THR A 526 -11.885 2.146 0.712 1.00 0.73 C ATOM 237 C THR A 526 -10.880 1.396 1.592 1.00 0.62 C ATOM 238 O THR A 526 -9.696 1.739 1.644 1.00 0.52 O ATOM 239 CB THR A 526 -12.666 3.212 1.518 1.00 0.91 C ATOM 240 OG1 THR A 526 -12.948 4.359 0.701 1.00 1.14 O ATOM 241 CG2 THR A 526 -11.930 3.628 2.772 1.00 1.40 C ATOM 0 H THR A 526 -13.771 1.304 0.463 1.00 0.84 H new ATOM 0 HA THR A 526 -11.321 2.655 -0.069 1.00 0.73 H new ATOM 0 HB THR A 526 -13.607 2.756 1.826 1.00 0.91 H new ATOM 0 HG1 THR A 526 -13.443 5.021 1.227 1.00 1.14 H new ATOM 0 HG21 THR A 526 -12.515 4.377 3.306 1.00 1.40 H new ATOM 0 HG22 THR A 526 -11.783 2.759 3.413 1.00 1.40 H new ATOM 0 HG23 THR A 526 -10.961 4.049 2.503 1.00 1.40 H new ATOM 249 N LYS A 527 -11.360 0.357 2.265 1.00 0.72 N ATOM 250 CA LYS A 527 -10.505 -0.503 3.067 1.00 0.71 C ATOM 251 C LYS A 527 -9.528 -1.252 2.168 1.00 0.55 C ATOM 252 O LYS A 527 -8.331 -1.298 2.441 1.00 0.47 O ATOM 253 CB LYS A 527 -11.357 -1.493 3.865 1.00 0.91 C ATOM 254 CG LYS A 527 -10.555 -2.420 4.763 1.00 1.04 C ATOM 255 CD LYS A 527 -9.820 -1.652 5.848 1.00 1.12 C ATOM 256 CE LYS A 527 -10.778 -0.905 6.768 1.00 1.24 C ATOM 257 NZ LYS A 527 -11.736 -1.819 7.448 1.00 1.60 N ATOM 0 H LYS A 527 -12.344 0.090 2.269 1.00 0.72 H new ATOM 0 HA LYS A 527 -9.938 0.113 3.765 1.00 0.71 H new ATOM 0 HB2 LYS A 527 -12.065 -0.935 4.477 1.00 0.91 H new ATOM 0 HB3 LYS A 527 -11.942 -2.095 3.170 1.00 0.91 H new ATOM 0 HG2 LYS A 527 -11.222 -3.150 5.222 1.00 1.04 H new ATOM 0 HG3 LYS A 527 -9.837 -2.978 4.162 1.00 1.04 H new ATOM 0 HD2 LYS A 527 -9.217 -2.344 6.437 1.00 1.12 H new ATOM 0 HD3 LYS A 527 -9.132 -0.943 5.388 1.00 1.12 H new ATOM 0 HE2 LYS A 527 -10.206 -0.358 7.518 1.00 1.24 H new ATOM 0 HE3 LYS A 527 -11.332 -0.166 6.189 1.00 1.24 H new ATOM 0 HZ1 LYS A 527 -12.239 -1.300 8.196 1.00 1.60 H new ATOM 0 HZ2 LYS A 527 -12.423 -2.180 6.755 1.00 1.60 H new ATOM 0 HZ3 LYS A 527 -11.217 -2.616 7.868 1.00 1.60 H new ATOM 271 N GLN A 528 -10.049 -1.800 1.079 1.00 0.59 N ATOM 272 CA GLN A 528 -9.246 -2.550 0.123 1.00 0.55 C ATOM 273 C GLN A 528 -8.159 -1.663 -0.477 1.00 0.40 C ATOM 274 O GLN A 528 -7.006 -2.077 -0.599 1.00 0.37 O ATOM 275 CB GLN A 528 -10.148 -3.104 -0.981 1.00 0.75 C ATOM 276 CG GLN A 528 -9.414 -3.915 -2.036 1.00 1.38 C ATOM 277 CD GLN A 528 -10.330 -4.364 -3.155 1.00 1.87 C ATOM 278 OE1 GLN A 528 -11.525 -4.594 -2.948 1.00 2.56 O ATOM 279 NE2 GLN A 528 -9.777 -4.491 -4.348 1.00 2.33 N ATOM 0 H GLN A 528 -11.037 -1.738 0.834 1.00 0.59 H new ATOM 0 HA GLN A 528 -8.762 -3.378 0.641 1.00 0.55 H new ATOM 0 HB2 GLN A 528 -10.916 -3.730 -0.527 1.00 0.75 H new ATOM 0 HB3 GLN A 528 -10.660 -2.274 -1.468 1.00 0.75 H new ATOM 0 HG2 GLN A 528 -8.603 -3.317 -2.451 1.00 1.38 H new ATOM 0 HG3 GLN A 528 -8.960 -4.789 -1.569 1.00 1.38 H new ATOM 0 HE21 GLN A 528 -8.785 -4.290 -4.474 1.00 2.33 H new ATOM 0 HE22 GLN A 528 -10.342 -4.790 -5.143 1.00 2.33 H new ATOM 288 N LEU A 529 -8.532 -0.438 -0.837 1.00 0.37 N ATOM 289 CA LEU A 529 -7.581 0.532 -1.368 1.00 0.33 C ATOM 290 C LEU A 529 -6.493 0.831 -0.347 1.00 0.22 C ATOM 291 O LEU A 529 -5.305 0.874 -0.673 1.00 0.26 O ATOM 292 CB LEU A 529 -8.297 1.832 -1.721 1.00 0.43 C ATOM 293 CG LEU A 529 -9.291 1.747 -2.874 1.00 0.58 C ATOM 294 CD1 LEU A 529 -10.065 3.045 -2.971 1.00 0.67 C ATOM 295 CD2 LEU A 529 -8.572 1.452 -4.181 1.00 0.69 C ATOM 0 H LEU A 529 -9.490 -0.093 -0.770 1.00 0.37 H new ATOM 0 HA LEU A 529 -7.128 0.105 -2.263 1.00 0.33 H new ATOM 0 HB2 LEU A 529 -8.825 2.187 -0.836 1.00 0.43 H new ATOM 0 HB3 LEU A 529 -7.547 2.583 -1.967 1.00 0.43 H new ATOM 0 HG LEU A 529 -9.988 0.931 -2.684 1.00 0.58 H new ATOM 0 HD11 LEU A 529 -10.776 2.984 -3.795 1.00 0.67 H new ATOM 0 HD12 LEU A 529 -10.604 3.218 -2.039 1.00 0.67 H new ATOM 0 HD13 LEU A 529 -9.373 3.869 -3.148 1.00 0.67 H new ATOM 0 HD21 LEU A 529 -9.299 1.395 -4.991 1.00 0.69 H new ATOM 0 HD22 LEU A 529 -7.857 2.247 -4.390 1.00 0.69 H new ATOM 0 HD23 LEU A 529 -8.044 0.502 -4.100 1.00 0.69 H new ATOM 307 N LYS A 530 -6.911 1.038 0.892 1.00 0.23 N ATOM 308 CA LYS A 530 -5.984 1.324 1.977 1.00 0.30 C ATOM 309 C LYS A 530 -5.041 0.146 2.219 1.00 0.24 C ATOM 310 O LYS A 530 -3.827 0.327 2.291 1.00 0.29 O ATOM 311 CB LYS A 530 -6.751 1.664 3.256 1.00 0.47 C ATOM 312 CG LYS A 530 -5.861 2.091 4.413 1.00 1.14 C ATOM 313 CD LYS A 530 -6.684 2.518 5.619 1.00 1.72 C ATOM 314 CE LYS A 530 -7.546 3.734 5.309 1.00 2.36 C ATOM 315 NZ LYS A 530 -6.734 4.954 5.077 1.00 2.78 N ATOM 0 H LYS A 530 -7.891 1.013 1.173 1.00 0.23 H new ATOM 0 HA LYS A 530 -5.381 2.185 1.689 1.00 0.30 H new ATOM 0 HB2 LYS A 530 -7.460 2.464 3.041 1.00 0.47 H new ATOM 0 HB3 LYS A 530 -7.334 0.795 3.560 1.00 0.47 H new ATOM 0 HG2 LYS A 530 -5.204 1.267 4.692 1.00 1.14 H new ATOM 0 HG3 LYS A 530 -5.221 2.915 4.097 1.00 1.14 H new ATOM 0 HD2 LYS A 530 -7.320 1.692 5.936 1.00 1.72 H new ATOM 0 HD3 LYS A 530 -6.019 2.746 6.452 1.00 1.72 H new ATOM 0 HE2 LYS A 530 -8.153 3.531 4.427 1.00 2.36 H new ATOM 0 HE3 LYS A 530 -8.234 3.910 6.136 1.00 2.36 H new ATOM 0 HZ1 LYS A 530 -7.362 5.780 5.004 1.00 2.78 H new ATOM 0 HZ2 LYS A 530 -6.075 5.088 5.870 1.00 2.78 H new ATOM 0 HZ3 LYS A 530 -6.195 4.850 4.193 1.00 2.78 H new ATOM 329 N GLU A 531 -5.598 -1.061 2.313 1.00 0.21 N ATOM 330 CA GLU A 531 -4.796 -2.264 2.548 1.00 0.26 C ATOM 331 C GLU A 531 -3.834 -2.507 1.388 1.00 0.23 C ATOM 332 O GLU A 531 -2.699 -2.953 1.581 1.00 0.26 O ATOM 333 CB GLU A 531 -5.696 -3.488 2.750 1.00 0.37 C ATOM 334 CG GLU A 531 -6.614 -3.373 3.958 1.00 0.50 C ATOM 335 CD GLU A 531 -7.400 -4.641 4.221 1.00 0.68 C ATOM 336 OE1 GLU A 531 -8.157 -5.077 3.330 1.00 0.98 O ATOM 337 OE2 GLU A 531 -7.257 -5.215 5.320 1.00 1.00 O ATOM 0 H GLU A 531 -6.600 -1.233 2.230 1.00 0.21 H new ATOM 0 HA GLU A 531 -4.215 -2.107 3.457 1.00 0.26 H new ATOM 0 HB2 GLU A 531 -6.302 -3.635 1.856 1.00 0.37 H new ATOM 0 HB3 GLU A 531 -5.071 -4.374 2.861 1.00 0.37 H new ATOM 0 HG2 GLU A 531 -6.019 -3.130 4.839 1.00 0.50 H new ATOM 0 HG3 GLU A 531 -7.308 -2.546 3.804 1.00 0.50 H new ATOM 344 N GLN A 532 -4.296 -2.210 0.185 1.00 0.23 N ATOM 345 CA GLN A 532 -3.458 -2.307 -0.999 1.00 0.32 C ATOM 346 C GLN A 532 -2.328 -1.282 -0.944 1.00 0.33 C ATOM 347 O GLN A 532 -1.191 -1.573 -1.302 1.00 0.41 O ATOM 348 CB GLN A 532 -4.298 -2.099 -2.259 1.00 0.40 C ATOM 349 CG GLN A 532 -3.482 -2.048 -3.537 1.00 0.97 C ATOM 350 CD GLN A 532 -4.348 -2.015 -4.774 1.00 1.51 C ATOM 351 OE1 GLN A 532 -4.740 -0.949 -5.249 1.00 2.20 O ATOM 352 NE2 GLN A 532 -4.654 -3.186 -5.306 1.00 2.06 N ATOM 0 H GLN A 532 -5.250 -1.899 0.002 1.00 0.23 H new ATOM 0 HA GLN A 532 -3.018 -3.304 -1.029 1.00 0.32 H new ATOM 0 HB2 GLN A 532 -5.027 -2.906 -2.336 1.00 0.40 H new ATOM 0 HB3 GLN A 532 -4.860 -1.170 -2.161 1.00 0.40 H new ATOM 0 HG2 GLN A 532 -2.843 -1.165 -3.521 1.00 0.97 H new ATOM 0 HG3 GLN A 532 -2.825 -2.917 -3.580 1.00 0.97 H new ATOM 0 HE21 GLN A 532 -4.308 -4.046 -4.880 1.00 2.06 H new ATOM 0 HE22 GLN A 532 -5.236 -3.230 -6.142 1.00 2.06 H new ATOM 361 N THR A 533 -2.643 -0.086 -0.480 1.00 0.29 N ATOM 362 CA THR A 533 -1.656 0.973 -0.408 1.00 0.36 C ATOM 363 C THR A 533 -0.658 0.734 0.722 1.00 0.35 C ATOM 364 O THR A 533 0.531 0.980 0.548 1.00 0.41 O ATOM 365 CB THR A 533 -2.320 2.350 -0.244 1.00 0.41 C ATOM 366 OG1 THR A 533 -3.252 2.562 -1.311 1.00 0.45 O ATOM 367 CG2 THR A 533 -1.276 3.449 -0.265 1.00 0.53 C ATOM 0 H THR A 533 -3.572 0.175 -0.149 1.00 0.29 H new ATOM 0 HA THR A 533 -1.112 0.963 -1.353 1.00 0.36 H new ATOM 0 HB THR A 533 -2.840 2.375 0.714 1.00 0.41 H new ATOM 0 HG1 THR A 533 -3.985 1.915 -1.239 1.00 0.45 H new ATOM 0 HG21 THR A 533 -1.764 4.417 -0.148 1.00 0.53 H new ATOM 0 HG22 THR A 533 -0.571 3.297 0.552 1.00 0.53 H new ATOM 0 HG23 THR A 533 -0.741 3.425 -1.215 1.00 0.53 H new ATOM 375 N VAL A 534 -1.122 0.233 1.866 1.00 0.29 N ATOM 376 CA VAL A 534 -0.223 -0.014 2.988 1.00 0.32 C ATOM 377 C VAL A 534 0.809 -1.090 2.645 1.00 0.32 C ATOM 378 O VAL A 534 1.970 -0.971 3.022 1.00 0.35 O ATOM 379 CB VAL A 534 -0.959 -0.380 4.302 1.00 0.32 C ATOM 380 CG1 VAL A 534 -1.817 0.781 4.778 1.00 0.36 C ATOM 381 CG2 VAL A 534 -1.798 -1.633 4.144 1.00 0.28 C ATOM 0 H VAL A 534 -2.099 -0.006 2.038 1.00 0.29 H new ATOM 0 HA VAL A 534 0.289 0.932 3.167 1.00 0.32 H new ATOM 0 HB VAL A 534 -0.200 -0.585 5.057 1.00 0.32 H new ATOM 0 HG11 VAL A 534 -2.325 0.503 5.702 1.00 0.36 H new ATOM 0 HG12 VAL A 534 -1.185 1.650 4.959 1.00 0.36 H new ATOM 0 HG13 VAL A 534 -2.557 1.023 4.015 1.00 0.36 H new ATOM 0 HG21 VAL A 534 -2.298 -1.857 5.086 1.00 0.28 H new ATOM 0 HG22 VAL A 534 -2.544 -1.475 3.365 1.00 0.28 H new ATOM 0 HG23 VAL A 534 -1.155 -2.469 3.867 1.00 0.28 H new ATOM 391 N GLU A 535 0.402 -2.132 1.928 1.00 0.29 N ATOM 392 CA GLU A 535 1.354 -3.145 1.490 1.00 0.32 C ATOM 393 C GLU A 535 2.261 -2.580 0.394 1.00 0.36 C ATOM 394 O GLU A 535 3.431 -2.950 0.281 1.00 0.39 O ATOM 395 CB GLU A 535 0.626 -4.414 1.019 1.00 0.34 C ATOM 396 CG GLU A 535 -0.228 -4.244 -0.231 1.00 0.36 C ATOM 397 CD GLU A 535 0.420 -4.834 -1.471 1.00 0.54 C ATOM 398 OE1 GLU A 535 0.362 -6.069 -1.641 1.00 0.81 O ATOM 399 OE2 GLU A 535 0.989 -4.073 -2.282 1.00 0.69 O ATOM 0 H GLU A 535 -0.563 -2.296 1.642 1.00 0.29 H new ATOM 0 HA GLU A 535 1.981 -3.425 2.337 1.00 0.32 H new ATOM 0 HB2 GLU A 535 1.367 -5.190 0.831 1.00 0.34 H new ATOM 0 HB3 GLU A 535 -0.010 -4.771 1.829 1.00 0.34 H new ATOM 0 HG2 GLU A 535 -1.196 -4.719 -0.072 1.00 0.36 H new ATOM 0 HG3 GLU A 535 -0.417 -3.183 -0.395 1.00 0.36 H new ATOM 406 N ARG A 536 1.706 -1.669 -0.397 1.00 0.38 N ATOM 407 CA ARG A 536 2.438 -1.019 -1.477 1.00 0.44 C ATOM 408 C ARG A 536 3.499 -0.060 -0.928 1.00 0.46 C ATOM 409 O ARG A 536 4.643 -0.063 -1.388 1.00 0.49 O ATOM 410 CB ARG A 536 1.440 -0.305 -2.396 1.00 0.49 C ATOM 411 CG ARG A 536 2.067 0.470 -3.538 1.00 0.59 C ATOM 412 CD ARG A 536 2.043 1.961 -3.259 1.00 0.65 C ATOM 413 NE ARG A 536 0.679 2.448 -3.013 1.00 0.70 N ATOM 414 CZ ARG A 536 -0.198 2.758 -3.977 1.00 0.93 C ATOM 415 NH1 ARG A 536 0.151 2.674 -5.255 1.00 1.38 N ATOM 416 NH2 ARG A 536 -1.430 3.147 -3.663 1.00 0.94 N ATOM 0 H ARG A 536 0.738 -1.361 -0.308 1.00 0.38 H new ATOM 0 HA ARG A 536 2.973 -1.770 -2.058 1.00 0.44 H new ATOM 0 HB2 ARG A 536 0.756 -1.045 -2.811 1.00 0.49 H new ATOM 0 HB3 ARG A 536 0.842 0.381 -1.796 1.00 0.49 H new ATOM 0 HG2 ARG A 536 3.095 0.140 -3.685 1.00 0.59 H new ATOM 0 HG3 ARG A 536 1.530 0.260 -4.463 1.00 0.59 H new ATOM 0 HD2 ARG A 536 2.668 2.179 -2.393 1.00 0.65 H new ATOM 0 HD3 ARG A 536 2.473 2.496 -4.106 1.00 0.65 H new ATOM 0 HE ARG A 536 0.380 2.557 -2.044 1.00 0.70 H new ATOM 0 HH11 ARG A 536 1.092 2.372 -5.508 1.00 1.38 H new ATOM 0 HH12 ARG A 536 -0.522 2.912 -5.984 1.00 1.38 H new ATOM 0 HH21 ARG A 536 -1.711 3.210 -2.685 1.00 0.94 H new ATOM 0 HH22 ARG A 536 -2.094 3.382 -4.401 1.00 0.94 H new ATOM 430 N VAL A 537 3.132 0.746 0.065 1.00 0.45 N ATOM 431 CA VAL A 537 4.089 1.643 0.707 1.00 0.49 C ATOM 432 C VAL A 537 5.137 0.837 1.455 1.00 0.45 C ATOM 433 O VAL A 537 6.312 1.178 1.451 1.00 0.48 O ATOM 434 CB VAL A 537 3.421 2.654 1.671 1.00 0.51 C ATOM 435 CG1 VAL A 537 2.409 3.496 0.922 1.00 0.55 C ATOM 436 CG2 VAL A 537 2.760 1.955 2.849 1.00 0.47 C ATOM 0 H VAL A 537 2.185 0.797 0.441 1.00 0.45 H new ATOM 0 HA VAL A 537 4.557 2.223 -0.089 1.00 0.49 H new ATOM 0 HB VAL A 537 4.202 3.302 2.070 1.00 0.51 H new ATOM 0 HG11 VAL A 537 1.945 4.204 1.609 1.00 0.55 H new ATOM 0 HG12 VAL A 537 2.910 4.042 0.123 1.00 0.55 H new ATOM 0 HG13 VAL A 537 1.643 2.849 0.495 1.00 0.55 H new ATOM 0 HG21 VAL A 537 2.302 2.698 3.503 1.00 0.47 H new ATOM 0 HG22 VAL A 537 1.993 1.272 2.483 1.00 0.47 H new ATOM 0 HG23 VAL A 537 3.510 1.394 3.406 1.00 0.47 H new ATOM 446 N THR A 538 4.695 -0.240 2.089 1.00 0.40 N ATOM 447 CA THR A 538 5.589 -1.161 2.766 1.00 0.38 C ATOM 448 C THR A 538 6.612 -1.745 1.786 1.00 0.36 C ATOM 449 O THR A 538 7.773 -1.937 2.136 1.00 0.34 O ATOM 450 CB THR A 538 4.796 -2.288 3.453 1.00 0.35 C ATOM 451 OG1 THR A 538 3.997 -1.746 4.511 1.00 0.36 O ATOM 452 CG2 THR A 538 5.713 -3.365 4.003 1.00 0.36 C ATOM 0 H THR A 538 3.710 -0.497 2.147 1.00 0.40 H new ATOM 0 HA THR A 538 6.128 -0.605 3.533 1.00 0.38 H new ATOM 0 HB THR A 538 4.153 -2.747 2.702 1.00 0.35 H new ATOM 0 HG1 THR A 538 3.073 -1.641 4.202 1.00 0.36 H new ATOM 0 HG21 THR A 538 5.116 -4.142 4.480 1.00 0.36 H new ATOM 0 HG22 THR A 538 6.292 -3.801 3.189 1.00 0.36 H new ATOM 0 HG23 THR A 538 6.390 -2.927 4.736 1.00 0.36 H new ATOM 460 N LEU A 539 6.181 -2.010 0.556 1.00 0.37 N ATOM 461 CA LEU A 539 7.074 -2.501 -0.477 1.00 0.37 C ATOM 462 C LEU A 539 8.109 -1.423 -0.813 1.00 0.38 C ATOM 463 O LEU A 539 9.300 -1.704 -0.946 1.00 0.35 O ATOM 464 CB LEU A 539 6.230 -2.913 -1.697 1.00 0.42 C ATOM 465 CG LEU A 539 6.973 -3.334 -2.970 1.00 0.47 C ATOM 466 CD1 LEU A 539 7.402 -2.112 -3.758 1.00 0.52 C ATOM 467 CD2 LEU A 539 8.171 -4.210 -2.639 1.00 0.44 C ATOM 0 H LEU A 539 5.214 -1.891 0.254 1.00 0.37 H new ATOM 0 HA LEU A 539 7.626 -3.377 -0.138 1.00 0.37 H new ATOM 0 HB2 LEU A 539 5.587 -3.740 -1.396 1.00 0.42 H new ATOM 0 HB3 LEU A 539 5.578 -2.077 -1.951 1.00 0.42 H new ATOM 0 HG LEU A 539 6.291 -3.921 -3.585 1.00 0.47 H new ATOM 0 HD11 LEU A 539 7.928 -2.427 -4.659 1.00 0.52 H new ATOM 0 HD12 LEU A 539 6.523 -1.531 -4.036 1.00 0.52 H new ATOM 0 HD13 LEU A 539 8.064 -1.499 -3.147 1.00 0.52 H new ATOM 0 HD21 LEU A 539 8.680 -4.494 -3.560 1.00 0.44 H new ATOM 0 HD22 LEU A 539 8.860 -3.658 -2.000 1.00 0.44 H new ATOM 0 HD23 LEU A 539 7.833 -5.107 -2.120 1.00 0.44 H new ATOM 479 N GLN A 540 7.646 -0.185 -0.933 1.00 0.43 N ATOM 480 CA GLN A 540 8.540 0.953 -1.133 1.00 0.45 C ATOM 481 C GLN A 540 9.425 1.159 0.095 1.00 0.35 C ATOM 482 O GLN A 540 10.544 1.642 -0.010 1.00 0.30 O ATOM 483 CB GLN A 540 7.733 2.220 -1.425 1.00 0.58 C ATOM 484 CG GLN A 540 6.890 2.122 -2.685 1.00 0.69 C ATOM 485 CD GLN A 540 7.725 2.122 -3.954 1.00 0.73 C ATOM 486 OE1 GLN A 540 8.019 3.174 -4.521 1.00 1.05 O ATOM 487 NE2 GLN A 540 8.115 0.942 -4.411 1.00 1.55 N ATOM 0 H GLN A 540 6.656 0.059 -0.896 1.00 0.43 H new ATOM 0 HA GLN A 540 9.180 0.743 -1.990 1.00 0.45 H new ATOM 0 HB2 GLN A 540 7.082 2.431 -0.577 1.00 0.58 H new ATOM 0 HB3 GLN A 540 8.417 3.064 -1.519 1.00 0.58 H new ATOM 0 HG2 GLN A 540 6.294 1.210 -2.648 1.00 0.69 H new ATOM 0 HG3 GLN A 540 6.192 2.958 -2.715 1.00 0.69 H new ATOM 0 HE21 GLN A 540 7.852 0.091 -3.914 1.00 1.55 H new ATOM 0 HE22 GLN A 540 8.678 0.884 -5.260 1.00 1.55 H new ATOM 496 N ASN A 541 8.909 0.786 1.258 1.00 0.37 N ATOM 497 CA ASN A 541 9.679 0.825 2.499 1.00 0.34 C ATOM 498 C ASN A 541 10.777 -0.236 2.454 1.00 0.25 C ATOM 499 O ASN A 541 11.903 0.005 2.880 1.00 0.25 O ATOM 500 CB ASN A 541 8.750 0.611 3.702 1.00 0.42 C ATOM 501 CG ASN A 541 9.423 0.828 5.052 1.00 0.49 C ATOM 502 OD1 ASN A 541 10.594 0.507 5.253 1.00 1.08 O ATOM 503 ND2 ASN A 541 8.679 1.393 5.990 1.00 1.21 N ATOM 0 H ASN A 541 7.953 0.450 1.371 1.00 0.37 H new ATOM 0 HA ASN A 541 10.149 1.803 2.607 1.00 0.34 H new ATOM 0 HB2 ASN A 541 7.901 1.290 3.618 1.00 0.42 H new ATOM 0 HB3 ASN A 541 8.352 -0.403 3.665 1.00 0.42 H new ATOM 0 HD21 ASN A 541 9.073 1.575 6.913 1.00 1.21 H new ATOM 0 HD22 ASN A 541 7.712 1.647 5.790 1.00 1.21 H new ATOM 510 N GLN A 542 10.446 -1.403 1.908 1.00 0.22 N ATOM 511 CA GLN A 542 11.443 -2.447 1.679 1.00 0.21 C ATOM 512 C GLN A 542 12.509 -1.925 0.725 1.00 0.18 C ATOM 513 O GLN A 542 13.697 -2.179 0.902 1.00 0.24 O ATOM 514 CB GLN A 542 10.797 -3.709 1.090 1.00 0.27 C ATOM 515 CG GLN A 542 9.716 -4.327 1.964 1.00 0.33 C ATOM 516 CD GLN A 542 10.233 -4.758 3.323 1.00 1.18 C ATOM 517 OE1 GLN A 542 10.700 -5.882 3.495 1.00 1.94 O ATOM 518 NE2 GLN A 542 10.142 -3.871 4.297 1.00 1.98 N ATOM 0 H GLN A 542 9.500 -1.650 1.617 1.00 0.22 H new ATOM 0 HA GLN A 542 11.895 -2.710 2.635 1.00 0.21 H new ATOM 0 HB2 GLN A 542 10.366 -3.463 0.119 1.00 0.27 H new ATOM 0 HB3 GLN A 542 11.574 -4.452 0.914 1.00 0.27 H new ATOM 0 HG2 GLN A 542 8.909 -3.607 2.099 1.00 0.33 H new ATOM 0 HG3 GLN A 542 9.291 -5.190 1.452 1.00 0.33 H new ATOM 0 HE21 GLN A 542 9.748 -2.949 4.112 1.00 1.98 H new ATOM 0 HE22 GLN A 542 10.466 -4.108 5.235 1.00 1.98 H new ATOM 527 N LEU A 543 12.062 -1.181 -0.281 1.00 0.19 N ATOM 528 CA LEU A 543 12.957 -0.556 -1.240 1.00 0.23 C ATOM 529 C LEU A 543 13.768 0.551 -0.569 1.00 0.16 C ATOM 530 O LEU A 543 14.935 0.764 -0.890 1.00 0.24 O ATOM 531 CB LEU A 543 12.151 -0.015 -2.427 1.00 0.34 C ATOM 532 CG LEU A 543 12.975 0.487 -3.613 1.00 0.46 C ATOM 533 CD1 LEU A 543 12.195 0.302 -4.902 1.00 0.61 C ATOM 534 CD2 LEU A 543 13.351 1.952 -3.439 1.00 0.43 C ATOM 0 H LEU A 543 11.073 -0.997 -0.452 1.00 0.19 H new ATOM 0 HA LEU A 543 13.660 -1.301 -1.614 1.00 0.23 H new ATOM 0 HB2 LEU A 543 11.484 -0.802 -2.779 1.00 0.34 H new ATOM 0 HB3 LEU A 543 11.522 0.802 -2.073 1.00 0.34 H new ATOM 0 HG LEU A 543 13.894 -0.097 -3.660 1.00 0.46 H new ATOM 0 HD11 LEU A 543 12.789 0.662 -5.742 1.00 0.61 H new ATOM 0 HD12 LEU A 543 11.971 -0.755 -5.043 1.00 0.61 H new ATOM 0 HD13 LEU A 543 11.264 0.866 -4.848 1.00 0.61 H new ATOM 0 HD21 LEU A 543 13.936 2.282 -4.297 1.00 0.43 H new ATOM 0 HD22 LEU A 543 12.445 2.554 -3.365 1.00 0.43 H new ATOM 0 HD23 LEU A 543 13.941 2.071 -2.530 1.00 0.43 H new ATOM 546 N GLN A 544 13.141 1.255 0.365 1.00 0.11 N ATOM 547 CA GLN A 544 13.816 2.259 1.166 1.00 0.20 C ATOM 548 C GLN A 544 14.954 1.609 1.944 1.00 0.29 C ATOM 549 O GLN A 544 16.078 2.108 1.968 1.00 0.37 O ATOM 550 CB GLN A 544 12.816 2.910 2.122 1.00 0.32 C ATOM 551 CG GLN A 544 13.445 3.878 3.098 1.00 0.49 C ATOM 552 CD GLN A 544 12.459 4.369 4.140 1.00 0.78 C ATOM 553 OE1 GLN A 544 12.309 3.765 5.200 1.00 1.34 O ATOM 554 NE2 GLN A 544 11.773 5.460 3.846 1.00 1.64 N ATOM 0 H GLN A 544 12.151 1.144 0.586 1.00 0.11 H new ATOM 0 HA GLN A 544 14.231 3.030 0.516 1.00 0.20 H new ATOM 0 HB2 GLN A 544 12.060 3.436 1.539 1.00 0.32 H new ATOM 0 HB3 GLN A 544 12.301 2.129 2.681 1.00 0.32 H new ATOM 0 HG2 GLN A 544 14.285 3.394 3.596 1.00 0.49 H new ATOM 0 HG3 GLN A 544 13.847 4.731 2.552 1.00 0.49 H new ATOM 0 HE21 GLN A 544 11.925 5.934 2.956 1.00 1.64 H new ATOM 0 HE22 GLN A 544 11.091 5.828 4.509 1.00 1.64 H new ATOM 563 N GLN A 545 14.649 0.477 2.561 1.00 0.33 N ATOM 564 CA GLN A 545 15.649 -0.306 3.269 1.00 0.47 C ATOM 565 C GLN A 545 16.695 -0.832 2.292 1.00 0.50 C ATOM 566 O GLN A 545 17.866 -0.962 2.638 1.00 0.63 O ATOM 567 CB GLN A 545 14.985 -1.459 4.015 1.00 0.53 C ATOM 568 CG GLN A 545 13.956 -0.998 5.026 1.00 1.16 C ATOM 569 CD GLN A 545 13.243 -2.141 5.710 1.00 1.53 C ATOM 570 OE1 GLN A 545 13.804 -3.223 5.889 1.00 1.91 O ATOM 571 NE2 GLN A 545 11.995 -1.910 6.088 1.00 2.20 N ATOM 0 H GLN A 545 13.710 0.079 2.585 1.00 0.33 H new ATOM 0 HA GLN A 545 16.147 0.335 3.997 1.00 0.47 H new ATOM 0 HB2 GLN A 545 14.506 -2.122 3.295 1.00 0.53 H new ATOM 0 HB3 GLN A 545 15.751 -2.043 4.525 1.00 0.53 H new ATOM 0 HG2 GLN A 545 14.446 -0.381 5.779 1.00 1.16 H new ATOM 0 HG3 GLN A 545 13.221 -0.367 4.526 1.00 1.16 H new ATOM 0 HE21 GLN A 545 11.571 -0.998 5.919 1.00 2.20 H new ATOM 0 HE22 GLN A 545 11.457 -2.644 6.548 1.00 2.20 H new ATOM 580 N PHE A 546 16.255 -1.121 1.072 1.00 0.42 N ATOM 581 CA PHE A 546 17.137 -1.586 0.011 1.00 0.53 C ATOM 582 C PHE A 546 18.141 -0.502 -0.376 1.00 0.61 C ATOM 583 O PHE A 546 19.345 -0.754 -0.419 1.00 0.77 O ATOM 584 CB PHE A 546 16.290 -2.036 -1.194 1.00 0.54 C ATOM 585 CG PHE A 546 16.906 -1.793 -2.544 1.00 0.68 C ATOM 586 CD1 PHE A 546 17.935 -2.590 -3.020 1.00 1.26 C ATOM 587 CD2 PHE A 546 16.434 -0.766 -3.346 1.00 0.93 C ATOM 588 CE1 PHE A 546 18.485 -2.361 -4.267 1.00 1.38 C ATOM 589 CE2 PHE A 546 16.979 -0.531 -4.590 1.00 1.03 C ATOM 590 CZ PHE A 546 18.005 -1.330 -5.054 1.00 0.99 C ATOM 0 H PHE A 546 15.278 -1.039 0.792 1.00 0.42 H new ATOM 0 HA PHE A 546 17.714 -2.439 0.367 1.00 0.53 H new ATOM 0 HB2 PHE A 546 16.085 -3.102 -1.094 1.00 0.54 H new ATOM 0 HB3 PHE A 546 15.330 -1.521 -1.154 1.00 0.54 H new ATOM 0 HD1 PHE A 546 18.311 -3.398 -2.410 1.00 1.26 H new ATOM 0 HD2 PHE A 546 15.628 -0.141 -2.991 1.00 0.93 H new ATOM 0 HE1 PHE A 546 19.289 -2.986 -4.627 1.00 1.38 H new ATOM 0 HE2 PHE A 546 16.604 0.277 -5.201 1.00 1.03 H new ATOM 0 HZ PHE A 546 18.432 -1.150 -6.030 1.00 0.99 H new ATOM 600 N LEU A 547 17.652 0.705 -0.641 1.00 0.53 N ATOM 601 CA LEU A 547 18.528 1.806 -1.008 1.00 0.64 C ATOM 602 C LEU A 547 19.448 2.165 0.151 1.00 0.74 C ATOM 603 O LEU A 547 20.619 2.477 -0.047 1.00 0.89 O ATOM 604 CB LEU A 547 17.712 3.017 -1.495 1.00 0.59 C ATOM 605 CG LEU A 547 16.879 3.771 -0.450 1.00 0.50 C ATOM 606 CD1 LEU A 547 17.704 4.853 0.237 1.00 0.66 C ATOM 607 CD2 LEU A 547 15.640 4.372 -1.099 1.00 0.46 C ATOM 0 H LEU A 547 16.661 0.942 -0.608 1.00 0.53 H new ATOM 0 HA LEU A 547 19.158 1.490 -1.839 1.00 0.64 H new ATOM 0 HB2 LEU A 547 18.402 3.726 -1.952 1.00 0.59 H new ATOM 0 HB3 LEU A 547 17.038 2.676 -2.281 1.00 0.59 H new ATOM 0 HG LEU A 547 16.565 3.059 0.313 1.00 0.50 H new ATOM 0 HD11 LEU A 547 17.087 5.370 0.972 1.00 0.66 H new ATOM 0 HD12 LEU A 547 18.558 4.397 0.737 1.00 0.66 H new ATOM 0 HD13 LEU A 547 18.058 5.567 -0.506 1.00 0.66 H new ATOM 0 HD21 LEU A 547 15.057 4.904 -0.347 1.00 0.46 H new ATOM 0 HD22 LEU A 547 15.941 5.066 -1.884 1.00 0.46 H new ATOM 0 HD23 LEU A 547 15.034 3.576 -1.532 1.00 0.46 H new ATOM 619 N GLU A 548 18.915 2.108 1.363 1.00 0.69 N ATOM 620 CA GLU A 548 19.719 2.324 2.556 1.00 0.85 C ATOM 621 C GLU A 548 20.745 1.209 2.733 1.00 0.97 C ATOM 622 O GLU A 548 21.848 1.447 3.220 1.00 1.12 O ATOM 623 CB GLU A 548 18.854 2.478 3.809 1.00 0.87 C ATOM 624 CG GLU A 548 18.115 3.806 3.865 1.00 0.88 C ATOM 625 CD GLU A 548 17.706 4.192 5.272 1.00 1.55 C ATOM 626 OE1 GLU A 548 18.590 4.584 6.065 1.00 1.98 O ATOM 627 OE2 GLU A 548 16.500 4.145 5.584 1.00 2.23 O ATOM 0 H GLU A 548 17.930 1.914 1.546 1.00 0.69 H new ATOM 0 HA GLU A 548 20.256 3.263 2.418 1.00 0.85 H new ATOM 0 HB2 GLU A 548 18.130 1.664 3.845 1.00 0.87 H new ATOM 0 HB3 GLU A 548 19.485 2.383 4.693 1.00 0.87 H new ATOM 0 HG2 GLU A 548 18.750 4.588 3.449 1.00 0.88 H new ATOM 0 HG3 GLU A 548 17.227 3.749 3.236 1.00 0.88 H new ATOM 634 N ALA A 549 20.380 -0.007 2.350 1.00 0.93 N ATOM 635 CA ALA A 549 21.323 -1.119 2.357 1.00 1.09 C ATOM 636 C ALA A 549 22.474 -0.836 1.401 1.00 1.20 C ATOM 637 O ALA A 549 23.619 -1.212 1.658 1.00 1.35 O ATOM 638 CB ALA A 549 20.632 -2.420 1.986 1.00 1.06 C ATOM 0 H ALA A 549 19.442 -0.249 2.032 1.00 0.93 H new ATOM 0 HA ALA A 549 21.721 -1.225 3.366 1.00 1.09 H new ATOM 0 HB1 ALA A 549 21.357 -3.234 1.999 1.00 1.06 H new ATOM 0 HB2 ALA A 549 19.840 -2.629 2.705 1.00 1.06 H new ATOM 0 HB3 ALA A 549 20.203 -2.332 0.988 1.00 1.06 H new ATOM 644 N GLN A 550 22.162 -0.169 0.297 1.00 1.15 N ATOM 645 CA GLN A 550 23.181 0.283 -0.643 1.00 1.31 C ATOM 646 C GLN A 550 24.049 1.356 0.011 1.00 1.43 C ATOM 647 O GLN A 550 25.272 1.346 -0.121 1.00 1.65 O ATOM 648 CB GLN A 550 22.540 0.841 -1.914 1.00 1.26 C ATOM 649 CG GLN A 550 21.619 -0.142 -2.616 1.00 1.20 C ATOM 650 CD GLN A 550 20.949 0.463 -3.832 1.00 1.71 C ATOM 651 OE1 GLN A 550 19.871 1.049 -3.732 1.00 2.38 O ATOM 652 NE2 GLN A 550 21.576 0.329 -4.990 1.00 2.29 N ATOM 0 H GLN A 550 21.208 0.072 0.030 1.00 1.15 H new ATOM 0 HA GLN A 550 23.801 -0.571 -0.915 1.00 1.31 H new ATOM 0 HB2 GLN A 550 21.975 1.738 -1.661 1.00 1.26 H new ATOM 0 HB3 GLN A 550 23.327 1.144 -2.604 1.00 1.26 H new ATOM 0 HG2 GLN A 550 22.191 -1.019 -2.918 1.00 1.20 H new ATOM 0 HG3 GLN A 550 20.856 -0.484 -1.917 1.00 1.20 H new ATOM 0 HE21 GLN A 550 22.468 -0.163 -5.033 1.00 2.29 H new ATOM 0 HE22 GLN A 550 21.167 0.718 -5.839 1.00 2.29 H new ATOM 661 N LYS A 551 23.399 2.274 0.726 1.00 1.33 N ATOM 662 CA LYS A 551 24.103 3.324 1.461 1.00 1.50 C ATOM 663 C LYS A 551 25.021 2.711 2.508 1.00 1.72 C ATOM 664 O LYS A 551 26.141 3.166 2.702 1.00 2.01 O ATOM 665 CB LYS A 551 23.114 4.264 2.150 1.00 1.43 C ATOM 666 CG LYS A 551 22.060 4.849 1.228 1.00 1.36 C ATOM 667 CD LYS A 551 22.667 5.749 0.165 1.00 1.66 C ATOM 668 CE LYS A 551 21.589 6.348 -0.722 1.00 1.93 C ATOM 669 NZ LYS A 551 22.154 7.202 -1.799 1.00 2.36 N ATOM 0 H LYS A 551 22.383 2.311 0.812 1.00 1.33 H new ATOM 0 HA LYS A 551 24.694 3.894 0.744 1.00 1.50 H new ATOM 0 HB2 LYS A 551 22.616 3.722 2.954 1.00 1.43 H new ATOM 0 HB3 LYS A 551 23.669 5.080 2.612 1.00 1.43 H new ATOM 0 HG2 LYS A 551 21.510 4.040 0.747 1.00 1.36 H new ATOM 0 HG3 LYS A 551 21.340 5.418 1.816 1.00 1.36 H new ATOM 0 HD2 LYS A 551 23.236 6.547 0.641 1.00 1.66 H new ATOM 0 HD3 LYS A 551 23.368 5.177 -0.444 1.00 1.66 H new ATOM 0 HE2 LYS A 551 21.002 5.546 -1.168 1.00 1.93 H new ATOM 0 HE3 LYS A 551 20.907 6.940 -0.112 1.00 1.93 H new ATOM 0 HZ1 LYS A 551 21.381 7.588 -2.378 1.00 2.36 H new ATOM 0 HZ2 LYS A 551 22.693 7.984 -1.375 1.00 2.36 H new ATOM 0 HZ3 LYS A 551 22.784 6.632 -2.399 1.00 2.36 H new ATOM 683 N SER A 552 24.529 1.670 3.176 1.00 1.61 N ATOM 684 CA SER A 552 25.303 0.957 4.187 1.00 1.82 C ATOM 685 C SER A 552 26.627 0.460 3.606 1.00 1.95 C ATOM 686 O SER A 552 27.656 0.468 4.282 1.00 2.23 O ATOM 687 CB SER A 552 24.496 -0.224 4.734 1.00 1.69 C ATOM 688 OG SER A 552 23.231 0.198 5.226 1.00 1.76 O ATOM 0 H SER A 552 23.589 1.300 3.033 1.00 1.61 H new ATOM 0 HA SER A 552 25.521 1.648 5.001 1.00 1.82 H new ATOM 0 HB2 SER A 552 24.354 -0.965 3.948 1.00 1.69 H new ATOM 0 HB3 SER A 552 25.055 -0.710 5.533 1.00 1.69 H new ATOM 0 HG SER A 552 22.686 0.531 4.483 1.00 1.76 H new ATOM 694 N GLU A 553 26.596 0.047 2.346 1.00 1.81 N ATOM 695 CA GLU A 553 27.797 -0.417 1.671 1.00 2.00 C ATOM 696 C GLU A 553 28.636 0.769 1.199 1.00 2.25 C ATOM 697 O GLU A 553 29.848 0.814 1.414 1.00 2.55 O ATOM 698 CB GLU A 553 27.432 -1.301 0.482 1.00 1.88 C ATOM 699 CG GLU A 553 26.599 -2.509 0.865 1.00 1.75 C ATOM 700 CD GLU A 553 27.336 -3.476 1.767 1.00 1.97 C ATOM 701 OE1 GLU A 553 28.123 -4.302 1.255 1.00 1.91 O ATOM 702 OE2 GLU A 553 27.128 -3.423 2.993 1.00 2.46 O ATOM 0 H GLU A 553 25.753 0.024 1.773 1.00 1.81 H new ATOM 0 HA GLU A 553 28.383 -1.003 2.379 1.00 2.00 H new ATOM 0 HB2 GLU A 553 26.883 -0.707 -0.248 1.00 1.88 H new ATOM 0 HB3 GLU A 553 28.347 -1.639 -0.005 1.00 1.88 H new ATOM 0 HG2 GLU A 553 25.692 -2.173 1.367 1.00 1.75 H new ATOM 0 HG3 GLU A 553 26.288 -3.031 -0.040 1.00 1.75 H new ATOM 709 N GLY A 554 27.966 1.733 0.577 1.00 2.16 N ATOM 710 CA GLY A 554 28.644 2.887 0.016 1.00 2.43 C ATOM 711 C GLY A 554 29.279 3.784 1.063 1.00 2.68 C ATOM 712 O GLY A 554 30.245 4.486 0.778 1.00 2.98 O ATOM 0 H GLY A 554 26.954 1.735 0.451 1.00 2.16 H new ATOM 0 HA2 GLY A 554 29.415 2.545 -0.674 1.00 2.43 H new ATOM 0 HA3 GLY A 554 27.931 3.470 -0.566 1.00 2.43 H new ATOM 716 N LYS A 555 28.733 3.776 2.273 1.00 2.59 N ATOM 717 CA LYS A 555 29.277 4.590 3.354 1.00 2.88 C ATOM 718 C LYS A 555 30.557 3.968 3.904 1.00 3.09 C ATOM 719 O LYS A 555 31.292 4.597 4.664 1.00 3.44 O ATOM 720 CB LYS A 555 28.246 4.761 4.473 1.00 2.82 C ATOM 721 CG LYS A 555 28.043 3.525 5.336 1.00 2.71 C ATOM 722 CD LYS A 555 26.939 3.739 6.360 1.00 2.71 C ATOM 723 CE LYS A 555 27.197 4.970 7.214 1.00 2.99 C ATOM 724 NZ LYS A 555 26.152 5.157 8.255 1.00 3.58 N ATOM 0 H LYS A 555 27.919 3.218 2.530 1.00 2.59 H new ATOM 0 HA LYS A 555 29.516 5.574 2.951 1.00 2.88 H new ATOM 0 HB2 LYS A 555 28.555 5.588 5.112 1.00 2.82 H new ATOM 0 HB3 LYS A 555 27.290 5.041 4.030 1.00 2.82 H new ATOM 0 HG2 LYS A 555 27.794 2.674 4.702 1.00 2.71 H new ATOM 0 HG3 LYS A 555 28.974 3.280 5.848 1.00 2.71 H new ATOM 0 HD2 LYS A 555 25.983 3.845 5.848 1.00 2.71 H new ATOM 0 HD3 LYS A 555 26.862 2.861 7.001 1.00 2.71 H new ATOM 0 HE2 LYS A 555 28.173 4.881 7.692 1.00 2.99 H new ATOM 0 HE3 LYS A 555 27.234 5.853 6.575 1.00 2.99 H new ATOM 0 HZ1 LYS A 555 26.367 6.007 8.814 1.00 3.58 H new ATOM 0 HZ2 LYS A 555 25.224 5.268 7.799 1.00 3.58 H new ATOM 0 HZ3 LYS A 555 26.133 4.327 8.881 1.00 3.58 H new ATOM 738 N SER A 556 30.804 2.727 3.524 1.00 2.91 N ATOM 739 CA SER A 556 32.019 2.035 3.919 1.00 3.12 C ATOM 740 C SER A 556 33.049 2.123 2.795 1.00 3.40 C ATOM 741 O SER A 556 34.232 2.373 3.037 1.00 3.67 O ATOM 742 CB SER A 556 31.707 0.572 4.253 1.00 2.84 C ATOM 743 OG SER A 556 32.825 -0.077 4.835 1.00 3.07 O ATOM 0 H SER A 556 30.176 2.175 2.939 1.00 2.91 H new ATOM 0 HA SER A 556 32.431 2.509 4.810 1.00 3.12 H new ATOM 0 HB2 SER A 556 30.861 0.527 4.939 1.00 2.84 H new ATOM 0 HB3 SER A 556 31.411 0.046 3.346 1.00 2.84 H new ATOM 0 HG SER A 556 32.594 -1.008 5.038 1.00 3.07 H new ATOM 749 N LEU A 557 32.583 1.931 1.566 1.00 3.70 N ATOM 750 CA LEU A 557 33.442 1.999 0.396 1.00 4.05 C ATOM 751 C LEU A 557 32.602 2.377 -0.820 1.00 4.48 C ATOM 752 O LEU A 557 31.933 1.482 -1.380 1.00 4.98 O ATOM 753 CB LEU A 557 34.150 0.650 0.180 1.00 4.73 C ATOM 754 CG LEU A 557 35.422 0.679 -0.686 1.00 5.04 C ATOM 755 CD1 LEU A 557 36.165 -0.641 -0.559 1.00 5.74 C ATOM 756 CD2 LEU A 557 35.100 0.951 -2.151 1.00 5.35 C ATOM 757 OXT LEU A 557 32.604 3.566 -1.203 1.00 4.73 O ATOM 0 H LEU A 557 31.606 1.725 1.356 1.00 3.70 H new ATOM 0 HA LEU A 557 34.209 2.759 0.545 1.00 4.05 H new ATOM 0 HB2 LEU A 557 34.410 0.240 1.156 1.00 4.73 H new ATOM 0 HB3 LEU A 557 33.440 -0.040 -0.277 1.00 4.73 H new ATOM 0 HG LEU A 557 36.052 1.492 -0.325 1.00 5.04 H new ATOM 0 HD11 LEU A 557 37.064 -0.613 -1.175 1.00 5.74 H new ATOM 0 HD12 LEU A 557 36.443 -0.803 0.482 1.00 5.74 H new ATOM 0 HD13 LEU A 557 35.521 -1.455 -0.894 1.00 5.74 H new ATOM 0 HD21 LEU A 557 36.023 0.964 -2.730 1.00 5.35 H new ATOM 0 HD22 LEU A 557 34.444 0.168 -2.531 1.00 5.35 H new ATOM 0 HD23 LEU A 557 34.602 1.916 -2.241 1.00 5.35 H new TER 769 LEU A 557