USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=11 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 514 THR OG1 : rot 6:sc= 0.361 USER MOD Set 1.2: A 515 CYS SG : rot 180:sc= 0 USER MOD Single : A 511 SER OG : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 521 GLN : amide:sc= -0.95 K(o=-0.95,f=-0.28) USER MOD Single : A 524 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0576) USER MOD Single : A 526 THR OG1 : rot 180:sc= 0 USER MOD Single : A 527 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 528 GLN : amide:sc= -0.742 K(o=-0.74,f=-2.1!) USER MOD Single : A 530 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 532 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 533 THR OG1 : rot 78:sc= 1.23 USER MOD Single : A 538 THR OG1 : rot 86:sc= 1.2 USER MOD Single : A 540 GLN : amide:sc= -0.0457 K(o=-0.046,f=-0.96) USER MOD Single : A 541 ASN : amide:sc= -0.0106 X(o=-0.011,f=0) USER MOD Single : A 542 GLN : amide:sc= -0.838 K(o=-0.84,f=0) USER MOD Single : A 544 GLN : amide:sc= -2.03 K(o=-2,f=-0.41) USER MOD Single : A 545 GLN : amide:sc= -1.48! C(o=-1.5!,f=-5.3!) USER MOD Single : A 550 GLN : amide:sc= -5.42! K(o=-5.4!,f=-0.89) USER MOD Single : A 551 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 552 SER OG : rot 68:sc= 1.17 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 -36.906 1.482 10.115 1.00 9.10 N ATOM 2 CA GLY A 510 -35.718 2.157 10.706 1.00 8.55 C ATOM 3 C GLY A 510 -34.874 2.846 9.653 1.00 7.83 C ATOM 4 O GLY A 510 -35.283 2.943 8.492 1.00 8.04 O ATOM 0 HA2 GLY A 510 -36.047 2.889 11.443 1.00 8.55 H new ATOM 0 HA3 GLY A 510 -35.110 1.423 11.235 1.00 8.55 H new ATOM 10 N SER A 511 -33.696 3.314 10.043 1.00 7.22 N ATOM 11 CA SER A 511 -32.832 4.042 9.132 1.00 6.73 C ATOM 12 C SER A 511 -31.494 3.328 8.954 1.00 6.19 C ATOM 13 O SER A 511 -31.105 3.011 7.833 1.00 5.90 O ATOM 14 CB SER A 511 -32.617 5.466 9.650 1.00 6.95 C ATOM 15 OG SER A 511 -33.862 6.110 9.901 1.00 7.47 O ATOM 0 H SER A 511 -33.320 3.201 10.984 1.00 7.22 H new ATOM 0 HA SER A 511 -33.316 4.087 8.156 1.00 6.73 H new ATOM 0 HB2 SER A 511 -32.026 5.439 10.566 1.00 6.95 H new ATOM 0 HB3 SER A 511 -32.047 6.040 8.920 1.00 6.95 H new ATOM 0 HG SER A 511 -33.700 7.018 10.233 1.00 7.47 H new ATOM 21 N VAL A 512 -30.818 3.042 10.068 1.00 6.20 N ATOM 22 CA VAL A 512 -29.479 2.435 10.041 1.00 5.78 C ATOM 23 C VAL A 512 -29.521 1.015 9.472 1.00 5.49 C ATOM 24 O VAL A 512 -28.508 0.484 9.013 1.00 5.11 O ATOM 25 CB VAL A 512 -28.846 2.403 11.448 1.00 6.06 C ATOM 26 CG1 VAL A 512 -27.367 2.066 11.357 1.00 5.88 C ATOM 27 CG2 VAL A 512 -29.042 3.730 12.159 1.00 6.40 C ATOM 0 H VAL A 512 -31.175 3.221 11.007 1.00 6.20 H new ATOM 0 HA VAL A 512 -28.865 3.058 9.391 1.00 5.78 H new ATOM 0 HB VAL A 512 -29.346 1.627 12.028 1.00 6.06 H new ATOM 0 HG11 VAL A 512 -26.936 2.048 12.358 1.00 5.88 H new ATOM 0 HG12 VAL A 512 -27.245 1.088 10.891 1.00 5.88 H new ATOM 0 HG13 VAL A 512 -26.858 2.820 10.757 1.00 5.88 H new ATOM 0 HG21 VAL A 512 -28.587 3.683 13.149 1.00 6.40 H new ATOM 0 HG22 VAL A 512 -28.572 4.525 11.581 1.00 6.40 H new ATOM 0 HG23 VAL A 512 -30.108 3.935 12.259 1.00 6.40 H new ATOM 37 N GLU A 513 -30.700 0.404 9.511 1.00 5.73 N ATOM 38 CA GLU A 513 -30.923 -0.901 8.895 1.00 5.58 C ATOM 39 C GLU A 513 -30.603 -0.862 7.402 1.00 5.26 C ATOM 40 O GLU A 513 -30.236 -1.874 6.804 1.00 4.95 O ATOM 41 CB GLU A 513 -32.367 -1.348 9.125 1.00 6.03 C ATOM 42 CG GLU A 513 -33.402 -0.293 8.761 1.00 6.54 C ATOM 43 CD GLU A 513 -34.799 -0.661 9.213 1.00 7.02 C ATOM 44 OE1 GLU A 513 -34.957 -1.124 10.361 1.00 7.40 O ATOM 45 OE2 GLU A 513 -35.746 -0.540 8.405 1.00 7.27 O ATOM 0 H GLU A 513 -31.524 0.795 9.967 1.00 5.73 H new ATOM 0 HA GLU A 513 -30.253 -1.623 9.362 1.00 5.58 H new ATOM 0 HB2 GLU A 513 -32.557 -2.247 8.539 1.00 6.03 H new ATOM 0 HB3 GLU A 513 -32.491 -1.619 10.174 1.00 6.03 H new ATOM 0 HG2 GLU A 513 -33.118 0.658 9.211 1.00 6.54 H new ATOM 0 HG3 GLU A 513 -33.401 -0.147 7.681 1.00 6.54 H new ATOM 52 N THR A 514 -30.759 0.311 6.805 1.00 5.38 N ATOM 53 CA THR A 514 -30.396 0.527 5.415 1.00 5.15 C ATOM 54 C THR A 514 -29.275 1.557 5.325 1.00 4.74 C ATOM 55 O THR A 514 -28.880 2.125 6.344 1.00 4.68 O ATOM 56 CB THR A 514 -31.603 1.014 4.602 1.00 5.39 C ATOM 57 OG1 THR A 514 -32.194 2.155 5.243 1.00 5.70 O ATOM 58 CG2 THR A 514 -32.630 -0.093 4.467 1.00 5.67 C ATOM 0 H THR A 514 -31.139 1.136 7.270 1.00 5.38 H new ATOM 0 HA THR A 514 -30.057 -0.423 5.001 1.00 5.15 H new ATOM 0 HB THR A 514 -31.263 1.298 3.606 1.00 5.39 H new ATOM 0 HG1 THR A 514 -31.642 2.423 6.007 1.00 5.70 H new ATOM 0 HG21 THR A 514 -33.480 0.268 3.888 1.00 5.67 H new ATOM 0 HG22 THR A 514 -32.181 -0.946 3.959 1.00 5.67 H new ATOM 0 HG23 THR A 514 -32.969 -0.398 5.457 1.00 5.67 H new ATOM 66 N CYS A 515 -28.750 1.770 4.116 1.00 4.56 N ATOM 67 CA CYS A 515 -27.699 2.764 3.860 1.00 4.21 C ATOM 68 C CYS A 515 -26.350 2.316 4.430 1.00 3.93 C ATOM 69 O CYS A 515 -25.312 2.521 3.811 1.00 3.56 O ATOM 70 CB CYS A 515 -28.084 4.139 4.413 1.00 4.40 C ATOM 71 SG CYS A 515 -29.701 4.728 3.850 1.00 4.96 S ATOM 0 H CYS A 515 -29.041 1.258 3.283 1.00 4.56 H new ATOM 0 HA CYS A 515 -27.596 2.849 2.778 1.00 4.21 H new ATOM 0 HB2 CYS A 515 -28.083 4.095 5.502 1.00 4.40 H new ATOM 0 HB3 CYS A 515 -27.323 4.863 4.122 1.00 4.40 H new ATOM 0 HG CYS A 515 -29.943 5.895 4.369 1.00 4.96 H new ATOM 77 N MET A 516 -26.366 1.700 5.601 1.00 4.13 N ATOM 78 CA MET A 516 -25.159 1.121 6.168 1.00 3.95 C ATOM 79 C MET A 516 -24.629 0.037 5.236 1.00 3.70 C ATOM 80 O MET A 516 -23.425 -0.163 5.116 1.00 3.40 O ATOM 81 CB MET A 516 -25.438 0.540 7.557 1.00 4.28 C ATOM 82 CG MET A 516 -24.234 -0.147 8.181 1.00 4.27 C ATOM 83 SD MET A 516 -24.583 -0.826 9.814 1.00 4.83 S ATOM 84 CE MET A 516 -23.019 -1.629 10.168 1.00 5.80 C ATOM 0 H MET A 516 -27.200 1.588 6.177 1.00 4.13 H new ATOM 0 HA MET A 516 -24.408 1.903 6.274 1.00 3.95 H new ATOM 0 HB2 MET A 516 -25.771 1.341 8.217 1.00 4.28 H new ATOM 0 HB3 MET A 516 -26.257 -0.175 7.485 1.00 4.28 H new ATOM 0 HG2 MET A 516 -23.898 -0.949 7.524 1.00 4.27 H new ATOM 0 HG3 MET A 516 -23.414 0.567 8.257 1.00 4.27 H new ATOM 0 HE1 MET A 516 -23.067 -2.102 11.149 1.00 5.80 H new ATOM 0 HE2 MET A 516 -22.819 -2.386 9.410 1.00 5.80 H new ATOM 0 HE3 MET A 516 -22.220 -0.888 10.161 1.00 5.80 H new ATOM 94 N SER A 517 -25.550 -0.650 4.569 1.00 3.87 N ATOM 95 CA SER A 517 -25.202 -1.703 3.636 1.00 3.73 C ATOM 96 C SER A 517 -24.434 -1.137 2.436 1.00 3.38 C ATOM 97 O SER A 517 -23.358 -1.630 2.091 1.00 3.11 O ATOM 98 CB SER A 517 -26.484 -2.404 3.166 1.00 4.09 C ATOM 99 OG SER A 517 -26.205 -3.677 2.609 1.00 4.52 O ATOM 0 H SER A 517 -26.553 -0.490 4.663 1.00 3.87 H new ATOM 0 HA SER A 517 -24.555 -2.423 4.137 1.00 3.73 H new ATOM 0 HB2 SER A 517 -27.168 -2.516 4.007 1.00 4.09 H new ATOM 0 HB3 SER A 517 -26.988 -1.784 2.425 1.00 4.09 H new ATOM 0 HG SER A 517 -27.042 -4.098 2.321 1.00 4.52 H new ATOM 105 N LEU A 518 -24.959 -0.073 1.826 1.00 3.41 N ATOM 106 CA LEU A 518 -24.281 0.557 0.697 1.00 3.15 C ATOM 107 C LEU A 518 -22.985 1.219 1.144 1.00 2.83 C ATOM 108 O LEU A 518 -21.983 1.202 0.428 1.00 2.54 O ATOM 109 CB LEU A 518 -25.195 1.548 -0.049 1.00 3.32 C ATOM 110 CG LEU A 518 -26.009 2.544 0.792 1.00 3.52 C ATOM 111 CD1 LEU A 518 -25.185 3.776 1.148 1.00 3.34 C ATOM 112 CD2 LEU A 518 -27.274 2.949 0.049 1.00 3.86 C ATOM 0 H LEU A 518 -25.841 0.365 2.092 1.00 3.41 H new ATOM 0 HA LEU A 518 -24.030 -0.231 -0.013 1.00 3.15 H new ATOM 0 HB2 LEU A 518 -24.576 2.120 -0.739 1.00 3.32 H new ATOM 0 HB3 LEU A 518 -25.894 0.969 -0.653 1.00 3.32 H new ATOM 0 HG LEU A 518 -26.286 2.049 1.723 1.00 3.52 H new ATOM 0 HD11 LEU A 518 -25.791 4.460 1.743 1.00 3.34 H new ATOM 0 HD12 LEU A 518 -24.309 3.474 1.722 1.00 3.34 H new ATOM 0 HD13 LEU A 518 -24.865 4.276 0.234 1.00 3.34 H new ATOM 0 HD21 LEU A 518 -27.842 3.655 0.655 1.00 3.86 H new ATOM 0 HD22 LEU A 518 -27.006 3.418 -0.898 1.00 3.86 H new ATOM 0 HD23 LEU A 518 -27.882 2.065 -0.143 1.00 3.86 H new ATOM 124 N ALA A 519 -23.014 1.794 2.332 1.00 2.92 N ATOM 125 CA ALA A 519 -21.827 2.384 2.931 1.00 2.71 C ATOM 126 C ALA A 519 -20.762 1.319 3.177 1.00 2.50 C ATOM 127 O ALA A 519 -19.577 1.573 2.999 1.00 2.24 O ATOM 128 CB ALA A 519 -22.187 3.086 4.226 1.00 2.96 C ATOM 0 H ALA A 519 -23.853 1.866 2.907 1.00 2.92 H new ATOM 0 HA ALA A 519 -21.419 3.120 2.238 1.00 2.71 H new ATOM 0 HB1 ALA A 519 -21.290 3.523 4.664 1.00 2.96 H new ATOM 0 HB2 ALA A 519 -22.913 3.874 4.023 1.00 2.96 H new ATOM 0 HB3 ALA A 519 -22.617 2.366 4.922 1.00 2.96 H new ATOM 134 N SER A 520 -21.196 0.126 3.575 1.00 2.66 N ATOM 135 CA SER A 520 -20.287 -0.992 3.805 1.00 2.54 C ATOM 136 C SER A 520 -19.598 -1.374 2.502 1.00 2.31 C ATOM 137 O SER A 520 -18.423 -1.740 2.489 1.00 2.10 O ATOM 138 CB SER A 520 -21.053 -2.192 4.369 1.00 2.83 C ATOM 139 OG SER A 520 -20.172 -3.199 4.846 1.00 2.98 O ATOM 0 H SER A 520 -22.178 -0.091 3.746 1.00 2.66 H new ATOM 0 HA SER A 520 -19.532 -0.690 4.531 1.00 2.54 H new ATOM 0 HB2 SER A 520 -21.702 -1.861 5.180 1.00 2.83 H new ATOM 0 HB3 SER A 520 -21.698 -2.609 3.595 1.00 2.83 H new ATOM 0 HG SER A 520 -20.694 -3.949 5.200 1.00 2.98 H new ATOM 145 N GLN A 521 -20.334 -1.270 1.404 1.00 2.40 N ATOM 146 CA GLN A 521 -19.773 -1.527 0.083 1.00 2.26 C ATOM 147 C GLN A 521 -18.642 -0.546 -0.204 1.00 1.95 C ATOM 148 O GLN A 521 -17.561 -0.939 -0.648 1.00 1.75 O ATOM 149 CB GLN A 521 -20.848 -1.404 -0.995 1.00 2.49 C ATOM 150 CG GLN A 521 -22.029 -2.335 -0.798 1.00 2.84 C ATOM 151 CD GLN A 521 -23.128 -2.113 -1.820 1.00 3.23 C ATOM 152 OE1 GLN A 521 -24.304 -2.310 -1.532 1.00 3.85 O ATOM 153 NE2 GLN A 521 -22.751 -1.717 -3.027 1.00 3.40 N ATOM 0 H GLN A 521 -21.320 -1.010 1.401 1.00 2.40 H new ATOM 0 HA GLN A 521 -19.381 -2.544 0.069 1.00 2.26 H new ATOM 0 HB2 GLN A 521 -21.209 -0.376 -1.018 1.00 2.49 H new ATOM 0 HB3 GLN A 521 -20.398 -1.605 -1.967 1.00 2.49 H new ATOM 0 HG2 GLN A 521 -21.686 -3.368 -0.858 1.00 2.84 H new ATOM 0 HG3 GLN A 521 -22.436 -2.192 0.203 1.00 2.84 H new ATOM 0 HE21 GLN A 521 -21.763 -1.564 -3.228 1.00 3.40 H new ATOM 0 HE22 GLN A 521 -23.449 -1.565 -3.755 1.00 3.40 H new ATOM 162 N VAL A 522 -18.895 0.728 0.078 1.00 1.94 N ATOM 163 CA VAL A 522 -17.891 1.775 -0.080 1.00 1.71 C ATOM 164 C VAL A 522 -16.721 1.534 0.874 1.00 1.52 C ATOM 165 O VAL A 522 -15.559 1.713 0.511 1.00 1.28 O ATOM 166 CB VAL A 522 -18.488 3.176 0.184 1.00 1.86 C ATOM 167 CG1 VAL A 522 -17.449 4.262 -0.059 1.00 1.69 C ATOM 168 CG2 VAL A 522 -19.709 3.407 -0.690 1.00 2.07 C ATOM 0 H VAL A 522 -19.796 1.063 0.420 1.00 1.94 H new ATOM 0 HA VAL A 522 -17.538 1.739 -1.111 1.00 1.71 H new ATOM 0 HB VAL A 522 -18.794 3.223 1.229 1.00 1.86 H new ATOM 0 HG11 VAL A 522 -17.892 5.239 0.133 1.00 1.69 H new ATOM 0 HG12 VAL A 522 -16.601 4.110 0.609 1.00 1.69 H new ATOM 0 HG13 VAL A 522 -17.109 4.215 -1.093 1.00 1.69 H new ATOM 0 HG21 VAL A 522 -20.117 4.398 -0.491 1.00 2.07 H new ATOM 0 HG22 VAL A 522 -19.424 3.336 -1.740 1.00 2.07 H new ATOM 0 HG23 VAL A 522 -20.464 2.653 -0.467 1.00 2.07 H new ATOM 178 N VAL A 523 -17.048 1.118 2.092 1.00 1.66 N ATOM 179 CA VAL A 523 -16.055 0.812 3.104 1.00 1.58 C ATOM 180 C VAL A 523 -15.148 -0.336 2.653 1.00 1.41 C ATOM 181 O VAL A 523 -13.941 -0.303 2.871 1.00 1.24 O ATOM 182 CB VAL A 523 -16.743 0.479 4.449 1.00 1.85 C ATOM 183 CG1 VAL A 523 -15.854 -0.372 5.330 1.00 1.86 C ATOM 184 CG2 VAL A 523 -17.136 1.758 5.173 1.00 1.98 C ATOM 0 H VAL A 523 -18.011 0.985 2.402 1.00 1.66 H new ATOM 0 HA VAL A 523 -15.428 1.692 3.247 1.00 1.58 H new ATOM 0 HB VAL A 523 -17.643 -0.095 4.230 1.00 1.85 H new ATOM 0 HG11 VAL A 523 -16.369 -0.587 6.267 1.00 1.86 H new ATOM 0 HG12 VAL A 523 -15.624 -1.307 4.819 1.00 1.86 H new ATOM 0 HG13 VAL A 523 -14.929 0.164 5.539 1.00 1.86 H new ATOM 0 HG21 VAL A 523 -17.619 1.508 6.118 1.00 1.98 H new ATOM 0 HG22 VAL A 523 -16.245 2.354 5.368 1.00 1.98 H new ATOM 0 HG23 VAL A 523 -17.826 2.330 4.553 1.00 1.98 H new ATOM 194 N LYS A 524 -15.726 -1.343 2.014 1.00 1.52 N ATOM 195 CA LYS A 524 -14.934 -2.437 1.463 1.00 1.44 C ATOM 196 C LYS A 524 -14.044 -1.943 0.331 1.00 1.21 C ATOM 197 O LYS A 524 -12.911 -2.402 0.175 1.00 1.07 O ATOM 198 CB LYS A 524 -15.834 -3.573 0.978 1.00 1.69 C ATOM 199 CG LYS A 524 -15.956 -4.714 1.970 1.00 1.91 C ATOM 200 CD LYS A 524 -16.700 -4.285 3.221 1.00 2.09 C ATOM 201 CE LYS A 524 -16.553 -5.306 4.336 1.00 2.33 C ATOM 202 NZ LYS A 524 -16.996 -6.664 3.916 1.00 2.48 N ATOM 0 H LYS A 524 -16.731 -1.427 1.864 1.00 1.52 H new ATOM 0 HA LYS A 524 -14.297 -2.823 2.259 1.00 1.44 H new ATOM 0 HB2 LYS A 524 -16.827 -3.175 0.770 1.00 1.69 H new ATOM 0 HB3 LYS A 524 -15.442 -3.960 0.037 1.00 1.69 H new ATOM 0 HG2 LYS A 524 -16.478 -5.549 1.503 1.00 1.91 H new ATOM 0 HG3 LYS A 524 -14.962 -5.070 2.241 1.00 1.91 H new ATOM 0 HD2 LYS A 524 -16.321 -3.320 3.558 1.00 2.09 H new ATOM 0 HD3 LYS A 524 -17.756 -4.149 2.988 1.00 2.09 H new ATOM 0 HE2 LYS A 524 -15.511 -5.347 4.654 1.00 2.33 H new ATOM 0 HE3 LYS A 524 -17.137 -4.986 5.199 1.00 2.33 H new ATOM 0 HZ1 LYS A 524 -17.039 -7.288 4.747 1.00 2.48 H new ATOM 0 HZ2 LYS A 524 -17.938 -6.602 3.480 1.00 2.48 H new ATOM 0 HZ3 LYS A 524 -16.320 -7.052 3.227 1.00 2.48 H new ATOM 216 N LEU A 525 -14.547 -0.994 -0.447 1.00 1.21 N ATOM 217 CA LEU A 525 -13.764 -0.407 -1.532 1.00 1.06 C ATOM 218 C LEU A 525 -12.575 0.366 -0.975 1.00 0.82 C ATOM 219 O LEU A 525 -11.439 0.177 -1.412 1.00 0.67 O ATOM 220 CB LEU A 525 -14.631 0.512 -2.397 1.00 1.19 C ATOM 221 CG LEU A 525 -15.242 -0.142 -3.640 1.00 1.42 C ATOM 222 CD1 LEU A 525 -15.884 -1.470 -3.287 1.00 1.62 C ATOM 223 CD2 LEU A 525 -16.257 0.790 -4.285 1.00 1.56 C ATOM 0 H LEU A 525 -15.489 -0.614 -0.350 1.00 1.21 H new ATOM 0 HA LEU A 525 -13.394 -1.219 -2.157 1.00 1.06 H new ATOM 0 HB2 LEU A 525 -15.439 0.908 -1.781 1.00 1.19 H new ATOM 0 HB3 LEU A 525 -14.026 1.362 -2.714 1.00 1.19 H new ATOM 0 HG LEU A 525 -14.443 -0.331 -4.357 1.00 1.42 H new ATOM 0 HD11 LEU A 525 -16.312 -1.917 -4.184 1.00 1.62 H new ATOM 0 HD12 LEU A 525 -15.131 -2.139 -2.872 1.00 1.62 H new ATOM 0 HD13 LEU A 525 -16.672 -1.309 -2.551 1.00 1.62 H new ATOM 0 HD21 LEU A 525 -16.682 0.311 -5.167 1.00 1.56 H new ATOM 0 HD22 LEU A 525 -17.052 1.011 -3.573 1.00 1.56 H new ATOM 0 HD23 LEU A 525 -15.765 1.717 -4.578 1.00 1.56 H new ATOM 235 N THR A 526 -12.837 1.217 0.011 1.00 0.84 N ATOM 236 CA THR A 526 -11.779 1.996 0.638 1.00 0.73 C ATOM 237 C THR A 526 -10.829 1.072 1.399 1.00 0.62 C ATOM 238 O THR A 526 -9.631 1.322 1.458 1.00 0.52 O ATOM 239 CB THR A 526 -12.336 3.104 1.575 1.00 0.91 C ATOM 240 OG1 THR A 526 -11.286 3.990 1.977 1.00 1.14 O ATOM 241 CG2 THR A 526 -12.991 2.529 2.820 1.00 1.40 C ATOM 0 H THR A 526 -13.769 1.384 0.391 1.00 0.84 H new ATOM 0 HA THR A 526 -11.230 2.502 -0.156 1.00 0.73 H new ATOM 0 HB THR A 526 -13.092 3.645 1.006 1.00 0.91 H new ATOM 0 HG1 THR A 526 -11.651 4.684 2.565 1.00 1.14 H new ATOM 0 HG21 THR A 526 -13.364 3.342 3.443 1.00 1.40 H new ATOM 0 HG22 THR A 526 -13.820 1.884 2.530 1.00 1.40 H new ATOM 0 HG23 THR A 526 -12.259 1.949 3.381 1.00 1.40 H new ATOM 249 N LYS A 527 -11.370 -0.012 1.956 1.00 0.72 N ATOM 250 CA LYS A 527 -10.564 -0.999 2.665 1.00 0.71 C ATOM 251 C LYS A 527 -9.578 -1.667 1.716 1.00 0.55 C ATOM 252 O LYS A 527 -8.391 -1.771 2.017 1.00 0.47 O ATOM 253 CB LYS A 527 -11.458 -2.057 3.318 1.00 0.91 C ATOM 254 CG LYS A 527 -10.693 -3.135 4.072 1.00 1.04 C ATOM 255 CD LYS A 527 -9.959 -2.565 5.275 1.00 1.12 C ATOM 256 CE LYS A 527 -10.924 -2.034 6.319 1.00 1.24 C ATOM 257 NZ LYS A 527 -10.216 -1.493 7.509 1.00 1.60 N ATOM 0 H LYS A 527 -12.367 -0.227 1.928 1.00 0.72 H new ATOM 0 HA LYS A 527 -10.005 -0.482 3.445 1.00 0.71 H new ATOM 0 HB2 LYS A 527 -12.144 -1.563 4.007 1.00 0.91 H new ATOM 0 HB3 LYS A 527 -12.066 -2.530 2.547 1.00 0.91 H new ATOM 0 HG2 LYS A 527 -11.385 -3.910 4.401 1.00 1.04 H new ATOM 0 HG3 LYS A 527 -9.978 -3.611 3.401 1.00 1.04 H new ATOM 0 HD2 LYS A 527 -9.331 -3.338 5.719 1.00 1.12 H new ATOM 0 HD3 LYS A 527 -9.296 -1.763 4.951 1.00 1.12 H new ATOM 0 HE2 LYS A 527 -11.541 -1.251 5.877 1.00 1.24 H new ATOM 0 HE3 LYS A 527 -11.597 -2.833 6.630 1.00 1.24 H new ATOM 0 HZ1 LYS A 527 -10.912 -1.141 8.197 1.00 1.60 H new ATOM 0 HZ2 LYS A 527 -9.647 -2.246 7.946 1.00 1.60 H new ATOM 0 HZ3 LYS A 527 -9.593 -0.713 7.217 1.00 1.60 H new ATOM 271 N GLN A 528 -10.074 -2.099 0.563 1.00 0.59 N ATOM 272 CA GLN A 528 -9.240 -2.760 -0.430 1.00 0.55 C ATOM 273 C GLN A 528 -8.127 -1.820 -0.886 1.00 0.40 C ATOM 274 O GLN A 528 -6.964 -2.219 -0.986 1.00 0.37 O ATOM 275 CB GLN A 528 -10.107 -3.217 -1.614 1.00 0.75 C ATOM 276 CG GLN A 528 -9.346 -3.950 -2.712 1.00 1.38 C ATOM 277 CD GLN A 528 -8.710 -3.013 -3.723 1.00 1.87 C ATOM 278 OE1 GLN A 528 -9.229 -1.931 -3.993 1.00 2.56 O ATOM 279 NE2 GLN A 528 -7.575 -3.414 -4.276 1.00 2.33 N ATOM 0 H GLN A 528 -11.053 -2.002 0.293 1.00 0.59 H new ATOM 0 HA GLN A 528 -8.775 -3.641 0.011 1.00 0.55 H new ATOM 0 HB2 GLN A 528 -10.896 -3.869 -1.239 1.00 0.75 H new ATOM 0 HB3 GLN A 528 -10.595 -2.344 -2.048 1.00 0.75 H new ATOM 0 HG2 GLN A 528 -8.570 -4.567 -2.259 1.00 1.38 H new ATOM 0 HG3 GLN A 528 -10.027 -4.625 -3.230 1.00 1.38 H new ATOM 0 HE21 GLN A 528 -7.177 -4.319 -4.025 1.00 2.33 H new ATOM 0 HE22 GLN A 528 -7.099 -2.818 -4.953 1.00 2.33 H new ATOM 288 N LEU A 529 -8.490 -0.568 -1.132 1.00 0.37 N ATOM 289 CA LEU A 529 -7.522 0.452 -1.514 1.00 0.33 C ATOM 290 C LEU A 529 -6.531 0.702 -0.383 1.00 0.22 C ATOM 291 O LEU A 529 -5.323 0.753 -0.602 1.00 0.26 O ATOM 292 CB LEU A 529 -8.244 1.752 -1.849 1.00 0.43 C ATOM 293 CG LEU A 529 -9.180 1.693 -3.051 1.00 0.58 C ATOM 294 CD1 LEU A 529 -9.973 2.981 -3.146 1.00 0.67 C ATOM 295 CD2 LEU A 529 -8.398 1.453 -4.334 1.00 0.69 C ATOM 0 H LEU A 529 -9.452 -0.233 -1.073 1.00 0.37 H new ATOM 0 HA LEU A 529 -6.977 0.098 -2.389 1.00 0.33 H new ATOM 0 HB2 LEU A 529 -8.820 2.062 -0.977 1.00 0.43 H new ATOM 0 HB3 LEU A 529 -7.498 2.525 -2.030 1.00 0.43 H new ATOM 0 HG LEU A 529 -9.870 0.860 -2.917 1.00 0.58 H new ATOM 0 HD11 LEU A 529 -10.641 2.935 -4.006 1.00 0.67 H new ATOM 0 HD12 LEU A 529 -10.560 3.114 -2.238 1.00 0.67 H new ATOM 0 HD13 LEU A 529 -9.289 3.822 -3.262 1.00 0.67 H new ATOM 0 HD21 LEU A 529 -9.087 1.415 -5.178 1.00 0.69 H new ATOM 0 HD22 LEU A 529 -7.686 2.265 -4.483 1.00 0.69 H new ATOM 0 HD23 LEU A 529 -7.861 0.508 -4.261 1.00 0.69 H new ATOM 307 N LYS A 530 -7.060 0.833 0.826 1.00 0.23 N ATOM 308 CA LYS A 530 -6.245 1.068 2.018 1.00 0.30 C ATOM 309 C LYS A 530 -5.216 -0.033 2.219 1.00 0.24 C ATOM 310 O LYS A 530 -4.028 0.244 2.394 1.00 0.29 O ATOM 311 CB LYS A 530 -7.141 1.139 3.257 1.00 0.47 C ATOM 312 CG LYS A 530 -7.408 2.546 3.760 1.00 1.14 C ATOM 313 CD LYS A 530 -6.190 3.120 4.460 1.00 1.72 C ATOM 314 CE LYS A 530 -6.532 4.399 5.206 1.00 2.36 C ATOM 315 NZ LYS A 530 -5.393 4.884 6.028 1.00 2.78 N ATOM 0 H LYS A 530 -8.062 0.780 1.012 1.00 0.23 H new ATOM 0 HA LYS A 530 -5.720 2.013 1.875 1.00 0.30 H new ATOM 0 HB2 LYS A 530 -8.094 0.661 3.029 1.00 0.47 H new ATOM 0 HB3 LYS A 530 -6.679 0.562 4.058 1.00 0.47 H new ATOM 0 HG2 LYS A 530 -7.686 3.187 2.923 1.00 1.14 H new ATOM 0 HG3 LYS A 530 -8.254 2.535 4.447 1.00 1.14 H new ATOM 0 HD2 LYS A 530 -5.790 2.385 5.159 1.00 1.72 H new ATOM 0 HD3 LYS A 530 -5.409 3.322 3.727 1.00 1.72 H new ATOM 0 HE2 LYS A 530 -6.818 5.171 4.491 1.00 2.36 H new ATOM 0 HE3 LYS A 530 -7.395 4.224 5.849 1.00 2.36 H new ATOM 0 HZ1 LYS A 530 -5.668 5.758 6.520 1.00 2.78 H new ATOM 0 HZ2 LYS A 530 -5.136 4.159 6.728 1.00 2.78 H new ATOM 0 HZ3 LYS A 530 -4.577 5.075 5.412 1.00 2.78 H new ATOM 329 N GLU A 531 -5.663 -1.278 2.162 1.00 0.21 N ATOM 330 CA GLU A 531 -4.784 -2.409 2.403 1.00 0.26 C ATOM 331 C GLU A 531 -3.755 -2.543 1.291 1.00 0.23 C ATOM 332 O GLU A 531 -2.605 -2.903 1.541 1.00 0.26 O ATOM 333 CB GLU A 531 -5.585 -3.697 2.564 1.00 0.37 C ATOM 334 CG GLU A 531 -6.584 -3.632 3.707 1.00 0.50 C ATOM 335 CD GLU A 531 -7.001 -4.997 4.201 1.00 0.68 C ATOM 336 OE1 GLU A 531 -6.294 -5.552 5.067 1.00 1.00 O ATOM 337 OE2 GLU A 531 -8.040 -5.514 3.752 1.00 0.98 O ATOM 0 H GLU A 531 -6.629 -1.530 1.951 1.00 0.21 H new ATOM 0 HA GLU A 531 -4.249 -2.228 3.335 1.00 0.26 H new ATOM 0 HB2 GLU A 531 -6.116 -3.907 1.636 1.00 0.37 H new ATOM 0 HB3 GLU A 531 -4.899 -4.527 2.734 1.00 0.37 H new ATOM 0 HG2 GLU A 531 -6.148 -3.070 4.533 1.00 0.50 H new ATOM 0 HG3 GLU A 531 -7.468 -3.084 3.380 1.00 0.50 H new ATOM 344 N GLN A 532 -4.162 -2.246 0.068 1.00 0.23 N ATOM 345 CA GLN A 532 -3.236 -2.262 -1.051 1.00 0.32 C ATOM 346 C GLN A 532 -2.217 -1.130 -0.919 1.00 0.33 C ATOM 347 O GLN A 532 -1.068 -1.267 -1.328 1.00 0.41 O ATOM 348 CB GLN A 532 -3.982 -2.163 -2.377 1.00 0.40 C ATOM 349 CG GLN A 532 -3.070 -2.312 -3.582 1.00 0.97 C ATOM 350 CD GLN A 532 -3.825 -2.343 -4.889 1.00 1.51 C ATOM 351 OE1 GLN A 532 -4.067 -1.304 -5.503 1.00 2.20 O ATOM 352 NE2 GLN A 532 -4.198 -3.536 -5.325 1.00 2.06 N ATOM 0 H GLN A 532 -5.120 -1.993 -0.174 1.00 0.23 H new ATOM 0 HA GLN A 532 -2.701 -3.211 -1.036 1.00 0.32 H new ATOM 0 HB2 GLN A 532 -4.752 -2.934 -2.413 1.00 0.40 H new ATOM 0 HB3 GLN A 532 -4.491 -1.201 -2.430 1.00 0.40 H new ATOM 0 HG2 GLN A 532 -2.359 -1.486 -3.598 1.00 0.97 H new ATOM 0 HG3 GLN A 532 -2.490 -3.229 -3.481 1.00 0.97 H new ATOM 0 HE21 GLN A 532 -3.975 -4.370 -4.782 1.00 2.06 H new ATOM 0 HE22 GLN A 532 -4.708 -3.621 -6.204 1.00 2.06 H new ATOM 361 N THR A 533 -2.644 -0.013 -0.343 1.00 0.29 N ATOM 362 CA THR A 533 -1.758 1.124 -0.138 1.00 0.36 C ATOM 363 C THR A 533 -0.760 0.850 0.988 1.00 0.35 C ATOM 364 O THR A 533 0.429 1.120 0.841 1.00 0.41 O ATOM 365 CB THR A 533 -2.545 2.413 0.180 1.00 0.41 C ATOM 366 OG1 THR A 533 -3.539 2.644 -0.833 1.00 0.45 O ATOM 367 CG2 THR A 533 -1.609 3.609 0.247 1.00 0.53 C ATOM 0 H THR A 533 -3.598 0.129 -0.010 1.00 0.29 H new ATOM 0 HA THR A 533 -1.215 1.270 -1.072 1.00 0.36 H new ATOM 0 HB THR A 533 -3.030 2.288 1.148 1.00 0.41 H new ATOM 0 HG1 THR A 533 -4.305 2.052 -0.681 1.00 0.45 H new ATOM 0 HG21 THR A 533 -2.183 4.508 0.472 1.00 0.53 H new ATOM 0 HG22 THR A 533 -0.867 3.447 1.029 1.00 0.53 H new ATOM 0 HG23 THR A 533 -1.105 3.731 -0.712 1.00 0.53 H new ATOM 375 N VAL A 534 -1.236 0.294 2.104 1.00 0.29 N ATOM 376 CA VAL A 534 -0.365 0.029 3.248 1.00 0.32 C ATOM 377 C VAL A 534 0.729 -0.977 2.893 1.00 0.32 C ATOM 378 O VAL A 534 1.868 -0.840 3.336 1.00 0.35 O ATOM 379 CB VAL A 534 -1.138 -0.442 4.507 1.00 0.32 C ATOM 380 CG1 VAL A 534 -2.074 0.651 4.999 1.00 0.36 C ATOM 381 CG2 VAL A 534 -1.911 -1.723 4.245 1.00 0.28 C ATOM 0 H VAL A 534 -2.210 0.021 2.239 1.00 0.29 H new ATOM 0 HA VAL A 534 0.098 0.984 3.496 1.00 0.32 H new ATOM 0 HB VAL A 534 -0.403 -0.652 5.284 1.00 0.32 H new ATOM 0 HG11 VAL A 534 -2.608 0.302 5.883 1.00 0.36 H new ATOM 0 HG12 VAL A 534 -1.495 1.539 5.252 1.00 0.36 H new ATOM 0 HG13 VAL A 534 -2.791 0.896 4.215 1.00 0.36 H new ATOM 0 HG21 VAL A 534 -2.439 -2.021 5.151 1.00 0.28 H new ATOM 0 HG22 VAL A 534 -2.631 -1.556 3.443 1.00 0.28 H new ATOM 0 HG23 VAL A 534 -1.219 -2.512 3.953 1.00 0.28 H new ATOM 391 N GLU A 535 0.398 -1.987 2.097 1.00 0.29 N ATOM 392 CA GLU A 535 1.405 -2.929 1.634 1.00 0.32 C ATOM 393 C GLU A 535 2.321 -2.264 0.606 1.00 0.36 C ATOM 394 O GLU A 535 3.522 -2.512 0.584 1.00 0.39 O ATOM 395 CB GLU A 535 0.754 -4.179 1.037 1.00 0.34 C ATOM 396 CG GLU A 535 -0.154 -3.890 -0.143 1.00 0.36 C ATOM 397 CD GLU A 535 -0.652 -5.141 -0.829 1.00 0.54 C ATOM 398 OE1 GLU A 535 -1.578 -5.784 -0.301 1.00 0.81 O ATOM 399 OE2 GLU A 535 -0.115 -5.487 -1.903 1.00 0.69 O ATOM 0 H GLU A 535 -0.548 -2.172 1.763 1.00 0.29 H new ATOM 0 HA GLU A 535 2.003 -3.236 2.492 1.00 0.32 H new ATOM 0 HB2 GLU A 535 1.536 -4.870 0.722 1.00 0.34 H new ATOM 0 HB3 GLU A 535 0.178 -4.683 1.813 1.00 0.34 H new ATOM 0 HG2 GLU A 535 -1.008 -3.306 0.198 1.00 0.36 H new ATOM 0 HG3 GLU A 535 0.384 -3.276 -0.866 1.00 0.36 H new ATOM 406 N ARG A 536 1.747 -1.397 -0.221 1.00 0.38 N ATOM 407 CA ARG A 536 2.505 -0.716 -1.265 1.00 0.44 C ATOM 408 C ARG A 536 3.526 0.247 -0.661 1.00 0.46 C ATOM 409 O ARG A 536 4.678 0.290 -1.094 1.00 0.49 O ATOM 410 CB ARG A 536 1.555 0.011 -2.226 1.00 0.49 C ATOM 411 CG ARG A 536 2.260 0.734 -3.360 1.00 0.59 C ATOM 412 CD ARG A 536 2.322 2.228 -3.110 1.00 0.65 C ATOM 413 NE ARG A 536 1.038 2.878 -3.364 1.00 0.70 N ATOM 414 CZ ARG A 536 0.660 4.023 -2.798 1.00 0.93 C ATOM 415 NH1 ARG A 536 1.433 4.603 -1.889 1.00 1.38 N ATOM 416 NH2 ARG A 536 -0.494 4.580 -3.131 1.00 0.94 N ATOM 0 H ARG A 536 0.758 -1.149 -0.189 1.00 0.38 H new ATOM 0 HA ARG A 536 3.057 -1.464 -1.834 1.00 0.44 H new ATOM 0 HB2 ARG A 536 0.857 -0.712 -2.648 1.00 0.49 H new ATOM 0 HB3 ARG A 536 0.964 0.732 -1.661 1.00 0.49 H new ATOM 0 HG2 ARG A 536 3.270 0.340 -3.472 1.00 0.59 H new ATOM 0 HG3 ARG A 536 1.737 0.542 -4.297 1.00 0.59 H new ATOM 0 HD2 ARG A 536 2.624 2.411 -2.079 1.00 0.65 H new ATOM 0 HD3 ARG A 536 3.086 2.671 -3.749 1.00 0.65 H new ATOM 0 HE ARG A 536 0.393 2.428 -4.013 1.00 0.70 H new ATOM 0 HH11 ARG A 536 2.318 4.172 -1.623 1.00 1.38 H new ATOM 0 HH12 ARG A 536 1.142 5.480 -1.457 1.00 1.38 H new ATOM 0 HH21 ARG A 536 -1.096 4.132 -3.822 1.00 0.94 H new ATOM 0 HH22 ARG A 536 -0.781 5.457 -2.696 1.00 0.94 H new ATOM 430 N VAL A 537 3.113 1.008 0.348 1.00 0.45 N ATOM 431 CA VAL A 537 4.034 1.905 1.041 1.00 0.49 C ATOM 432 C VAL A 537 5.106 1.100 1.762 1.00 0.45 C ATOM 433 O VAL A 537 6.272 1.486 1.795 1.00 0.48 O ATOM 434 CB VAL A 537 3.324 2.847 2.044 1.00 0.51 C ATOM 435 CG1 VAL A 537 2.299 3.701 1.325 1.00 0.55 C ATOM 436 CG2 VAL A 537 2.661 2.072 3.173 1.00 0.47 C ATOM 0 H VAL A 537 2.156 1.023 0.702 1.00 0.45 H new ATOM 0 HA VAL A 537 4.488 2.536 0.277 1.00 0.49 H new ATOM 0 HB VAL A 537 4.084 3.491 2.486 1.00 0.51 H new ATOM 0 HG11 VAL A 537 1.807 4.359 2.041 1.00 0.55 H new ATOM 0 HG12 VAL A 537 2.796 4.301 0.563 1.00 0.55 H new ATOM 0 HG13 VAL A 537 1.556 3.058 0.853 1.00 0.55 H new ATOM 0 HG21 VAL A 537 2.174 2.769 3.855 1.00 0.47 H new ATOM 0 HG22 VAL A 537 1.918 1.390 2.759 1.00 0.47 H new ATOM 0 HG23 VAL A 537 3.415 1.501 3.715 1.00 0.47 H new ATOM 446 N THR A 538 4.695 -0.020 2.338 1.00 0.40 N ATOM 447 CA THR A 538 5.612 -0.928 3.007 1.00 0.38 C ATOM 448 C THR A 538 6.614 -1.530 2.014 1.00 0.36 C ATOM 449 O THR A 538 7.787 -1.697 2.337 1.00 0.34 O ATOM 450 CB THR A 538 4.832 -2.036 3.735 1.00 0.35 C ATOM 451 OG1 THR A 538 4.017 -1.452 4.758 1.00 0.36 O ATOM 452 CG2 THR A 538 5.767 -3.064 4.348 1.00 0.36 C ATOM 0 H THR A 538 3.721 -0.323 2.354 1.00 0.40 H new ATOM 0 HA THR A 538 6.177 -0.359 3.746 1.00 0.38 H new ATOM 0 HB THR A 538 4.205 -2.547 3.005 1.00 0.35 H new ATOM 0 HG1 THR A 538 3.163 -1.166 4.372 1.00 0.36 H new ATOM 0 HG21 THR A 538 5.182 -3.832 4.854 1.00 0.36 H new ATOM 0 HG22 THR A 538 6.367 -3.524 3.563 1.00 0.36 H new ATOM 0 HG23 THR A 538 6.424 -2.575 5.067 1.00 0.36 H new ATOM 460 N LEU A 539 6.153 -1.833 0.804 1.00 0.37 N ATOM 461 CA LEU A 539 7.022 -2.326 -0.251 1.00 0.37 C ATOM 462 C LEU A 539 8.059 -1.253 -0.593 1.00 0.38 C ATOM 463 O LEU A 539 9.247 -1.538 -0.729 1.00 0.35 O ATOM 464 CB LEU A 539 6.155 -2.726 -1.462 1.00 0.42 C ATOM 465 CG LEU A 539 6.877 -3.106 -2.762 1.00 0.47 C ATOM 466 CD1 LEU A 539 7.305 -1.859 -3.513 1.00 0.52 C ATOM 467 CD2 LEU A 539 8.074 -4.007 -2.485 1.00 0.44 C ATOM 0 H LEU A 539 5.174 -1.744 0.532 1.00 0.37 H new ATOM 0 HA LEU A 539 7.570 -3.212 0.070 1.00 0.37 H new ATOM 0 HB2 LEU A 539 5.533 -3.570 -1.165 1.00 0.42 H new ATOM 0 HB3 LEU A 539 5.483 -1.897 -1.682 1.00 0.42 H new ATOM 0 HG LEU A 539 6.179 -3.665 -3.386 1.00 0.47 H new ATOM 0 HD11 LEU A 539 7.816 -2.145 -4.432 1.00 0.52 H new ATOM 0 HD12 LEU A 539 6.427 -1.262 -3.757 1.00 0.52 H new ATOM 0 HD13 LEU A 539 7.981 -1.273 -2.890 1.00 0.52 H new ATOM 0 HD21 LEU A 539 8.565 -4.259 -3.425 1.00 0.44 H new ATOM 0 HD22 LEU A 539 8.778 -3.487 -1.836 1.00 0.44 H new ATOM 0 HD23 LEU A 539 7.736 -4.921 -1.996 1.00 0.44 H new ATOM 479 N GLN A 540 7.598 -0.014 -0.704 1.00 0.43 N ATOM 480 CA GLN A 540 8.488 1.121 -0.925 1.00 0.45 C ATOM 481 C GLN A 540 9.415 1.316 0.270 1.00 0.35 C ATOM 482 O GLN A 540 10.551 1.761 0.123 1.00 0.30 O ATOM 483 CB GLN A 540 7.676 2.388 -1.175 1.00 0.58 C ATOM 484 CG GLN A 540 6.846 2.331 -2.446 1.00 0.69 C ATOM 485 CD GLN A 540 7.699 2.357 -3.702 1.00 0.73 C ATOM 486 OE1 GLN A 540 8.789 2.928 -3.713 1.00 1.05 O ATOM 487 NE2 GLN A 540 7.210 1.754 -4.775 1.00 1.55 N ATOM 0 H GLN A 540 6.610 0.232 -0.645 1.00 0.43 H new ATOM 0 HA GLN A 540 9.098 0.915 -1.805 1.00 0.45 H new ATOM 0 HB2 GLN A 540 7.015 2.561 -0.326 1.00 0.58 H new ATOM 0 HB3 GLN A 540 8.354 3.240 -1.230 1.00 0.58 H new ATOM 0 HG2 GLN A 540 6.242 1.424 -2.440 1.00 0.69 H new ATOM 0 HG3 GLN A 540 6.155 3.174 -2.463 1.00 0.69 H new ATOM 0 HE21 GLN A 540 6.303 1.290 -4.730 1.00 1.55 H new ATOM 0 HE22 GLN A 540 7.741 1.753 -5.646 1.00 1.55 H new ATOM 496 N ASN A 541 8.917 0.975 1.450 1.00 0.37 N ATOM 497 CA ASN A 541 9.717 1.008 2.672 1.00 0.34 C ATOM 498 C ASN A 541 10.814 -0.048 2.605 1.00 0.25 C ATOM 499 O ASN A 541 11.948 0.194 3.008 1.00 0.25 O ATOM 500 CB ASN A 541 8.822 0.778 3.897 1.00 0.42 C ATOM 501 CG ASN A 541 9.588 0.792 5.206 1.00 0.49 C ATOM 502 OD1 ASN A 541 9.797 1.847 5.801 1.00 1.08 O ATOM 503 ND2 ASN A 541 9.983 -0.381 5.681 1.00 1.21 N ATOM 0 H ASN A 541 7.954 0.669 1.590 1.00 0.37 H new ATOM 0 HA ASN A 541 10.183 1.989 2.765 1.00 0.34 H new ATOM 0 HB2 ASN A 541 8.051 1.548 3.926 1.00 0.42 H new ATOM 0 HB3 ASN A 541 8.312 -0.180 3.792 1.00 0.42 H new ATOM 0 HD21 ASN A 541 10.480 -0.430 6.571 1.00 1.21 H new ATOM 0 HD22 ASN A 541 9.790 -1.235 5.157 1.00 1.21 H new ATOM 510 N GLN A 542 10.469 -1.215 2.074 1.00 0.22 N ATOM 511 CA GLN A 542 11.451 -2.267 1.844 1.00 0.21 C ATOM 512 C GLN A 542 12.439 -1.825 0.774 1.00 0.18 C ATOM 513 O GLN A 542 13.619 -2.156 0.828 1.00 0.24 O ATOM 514 CB GLN A 542 10.777 -3.567 1.414 1.00 0.27 C ATOM 515 CG GLN A 542 9.796 -4.123 2.430 1.00 0.33 C ATOM 516 CD GLN A 542 9.272 -5.492 2.045 1.00 1.18 C ATOM 517 OE1 GLN A 542 8.933 -6.302 2.903 1.00 1.94 O ATOM 518 NE2 GLN A 542 9.213 -5.766 0.751 1.00 1.98 N ATOM 0 H GLN A 542 9.518 -1.456 1.795 1.00 0.22 H new ATOM 0 HA GLN A 542 11.979 -2.449 2.780 1.00 0.21 H new ATOM 0 HB2 GLN A 542 10.252 -3.398 0.474 1.00 0.27 H new ATOM 0 HB3 GLN A 542 11.546 -4.315 1.220 1.00 0.27 H new ATOM 0 HG2 GLN A 542 10.283 -4.185 3.403 1.00 0.33 H new ATOM 0 HG3 GLN A 542 8.958 -3.434 2.536 1.00 0.33 H new ATOM 0 HE21 GLN A 542 9.504 -5.067 0.068 1.00 1.98 H new ATOM 0 HE22 GLN A 542 8.877 -6.676 0.437 1.00 1.98 H new ATOM 527 N LEU A 543 11.938 -1.083 -0.208 1.00 0.19 N ATOM 528 CA LEU A 543 12.790 -0.518 -1.250 1.00 0.23 C ATOM 529 C LEU A 543 13.731 0.527 -0.649 1.00 0.16 C ATOM 530 O LEU A 543 14.871 0.678 -1.088 1.00 0.24 O ATOM 531 CB LEU A 543 11.937 0.081 -2.376 1.00 0.34 C ATOM 532 CG LEU A 543 12.705 0.533 -3.624 1.00 0.46 C ATOM 533 CD1 LEU A 543 11.818 0.427 -4.853 1.00 0.61 C ATOM 534 CD2 LEU A 543 13.195 1.965 -3.472 1.00 0.43 C ATOM 0 H LEU A 543 10.948 -0.859 -0.305 1.00 0.19 H new ATOM 0 HA LEU A 543 13.397 -1.313 -1.682 1.00 0.23 H new ATOM 0 HB2 LEU A 543 11.195 -0.658 -2.677 1.00 0.34 H new ATOM 0 HB3 LEU A 543 11.392 0.937 -1.978 1.00 0.34 H new ATOM 0 HG LEU A 543 13.569 -0.121 -3.743 1.00 0.46 H new ATOM 0 HD11 LEU A 543 12.375 0.751 -5.732 1.00 0.61 H new ATOM 0 HD12 LEU A 543 11.501 -0.608 -4.985 1.00 0.61 H new ATOM 0 HD13 LEU A 543 10.941 1.062 -4.725 1.00 0.61 H new ATOM 0 HD21 LEU A 543 13.737 2.262 -4.370 1.00 0.43 H new ATOM 0 HD22 LEU A 543 12.342 2.628 -3.327 1.00 0.43 H new ATOM 0 HD23 LEU A 543 13.858 2.033 -2.610 1.00 0.43 H new ATOM 546 N GLN A 544 13.248 1.238 0.360 1.00 0.11 N ATOM 547 CA GLN A 544 14.083 2.147 1.124 1.00 0.20 C ATOM 548 C GLN A 544 15.210 1.359 1.783 1.00 0.29 C ATOM 549 O GLN A 544 16.377 1.743 1.717 1.00 0.37 O ATOM 550 CB GLN A 544 13.234 2.877 2.173 1.00 0.32 C ATOM 551 CG GLN A 544 14.047 3.663 3.185 1.00 0.49 C ATOM 552 CD GLN A 544 14.831 4.807 2.566 1.00 0.78 C ATOM 553 OE1 GLN A 544 15.915 5.157 3.033 1.00 1.34 O ATOM 554 NE2 GLN A 544 14.285 5.412 1.520 1.00 1.64 N ATOM 0 H GLN A 544 12.276 1.201 0.668 1.00 0.11 H new ATOM 0 HA GLN A 544 14.520 2.895 0.463 1.00 0.20 H new ATOM 0 HB2 GLN A 544 12.551 3.557 1.664 1.00 0.32 H new ATOM 0 HB3 GLN A 544 12.622 2.147 2.702 1.00 0.32 H new ATOM 0 HG2 GLN A 544 13.378 4.061 3.948 1.00 0.49 H new ATOM 0 HG3 GLN A 544 14.739 2.988 3.688 1.00 0.49 H new ATOM 0 HE21 GLN A 544 13.385 5.095 1.160 1.00 1.64 H new ATOM 0 HE22 GLN A 544 14.765 6.195 1.076 1.00 1.64 H new ATOM 563 N GLN A 545 14.850 0.234 2.388 1.00 0.33 N ATOM 564 CA GLN A 545 15.831 -0.670 2.974 1.00 0.47 C ATOM 565 C GLN A 545 16.780 -1.188 1.895 1.00 0.50 C ATOM 566 O GLN A 545 17.975 -1.360 2.130 1.00 0.63 O ATOM 567 CB GLN A 545 15.126 -1.845 3.659 1.00 0.53 C ATOM 568 CG GLN A 545 14.146 -1.423 4.742 1.00 1.16 C ATOM 569 CD GLN A 545 13.381 -2.588 5.330 1.00 1.53 C ATOM 570 OE1 GLN A 545 12.309 -2.951 4.848 1.00 1.91 O ATOM 571 NE2 GLN A 545 13.928 -3.188 6.373 1.00 2.20 N ATOM 0 H GLN A 545 13.883 -0.075 2.486 1.00 0.33 H new ATOM 0 HA GLN A 545 16.408 -0.123 3.719 1.00 0.47 H new ATOM 0 HB2 GLN A 545 14.594 -2.426 2.906 1.00 0.53 H new ATOM 0 HB3 GLN A 545 15.877 -2.502 4.097 1.00 0.53 H new ATOM 0 HG2 GLN A 545 14.689 -0.913 5.538 1.00 1.16 H new ATOM 0 HG3 GLN A 545 13.440 -0.704 4.326 1.00 1.16 H new ATOM 0 HE21 GLN A 545 14.819 -2.856 6.743 1.00 2.20 H new ATOM 0 HE22 GLN A 545 13.459 -3.983 6.808 1.00 2.20 H new ATOM 580 N PHE A 546 16.229 -1.414 0.707 1.00 0.42 N ATOM 581 CA PHE A 546 16.983 -1.905 -0.439 1.00 0.53 C ATOM 582 C PHE A 546 18.048 -0.897 -0.880 1.00 0.61 C ATOM 583 O PHE A 546 19.213 -1.255 -1.047 1.00 0.77 O ATOM 584 CB PHE A 546 16.003 -2.241 -1.574 1.00 0.54 C ATOM 585 CG PHE A 546 16.517 -2.001 -2.967 1.00 0.68 C ATOM 586 CD1 PHE A 546 17.419 -2.871 -3.558 1.00 1.26 C ATOM 587 CD2 PHE A 546 16.074 -0.905 -3.690 1.00 0.93 C ATOM 588 CE1 PHE A 546 17.871 -2.646 -4.845 1.00 1.38 C ATOM 589 CE2 PHE A 546 16.522 -0.673 -4.972 1.00 1.03 C ATOM 590 CZ PHE A 546 17.422 -1.546 -5.553 1.00 0.99 C ATOM 0 H PHE A 546 15.240 -1.260 0.512 1.00 0.42 H new ATOM 0 HA PHE A 546 17.520 -2.811 -0.159 1.00 0.53 H new ATOM 0 HB2 PHE A 546 15.719 -3.290 -1.486 1.00 0.54 H new ATOM 0 HB3 PHE A 546 15.096 -1.652 -1.434 1.00 0.54 H new ATOM 0 HD1 PHE A 546 17.772 -3.732 -3.009 1.00 1.26 H new ATOM 0 HD2 PHE A 546 15.367 -0.223 -3.242 1.00 0.93 H new ATOM 0 HE1 PHE A 546 18.575 -3.329 -5.297 1.00 1.38 H new ATOM 0 HE2 PHE A 546 16.171 0.188 -5.521 1.00 1.03 H new ATOM 0 HZ PHE A 546 17.774 -1.370 -6.559 1.00 0.99 H new ATOM 600 N LEU A 547 17.659 0.360 -1.061 1.00 0.53 N ATOM 601 CA LEU A 547 18.612 1.390 -1.459 1.00 0.64 C ATOM 602 C LEU A 547 19.656 1.602 -0.369 1.00 0.74 C ATOM 603 O LEU A 547 20.835 1.812 -0.658 1.00 0.89 O ATOM 604 CB LEU A 547 17.884 2.693 -1.822 1.00 0.59 C ATOM 605 CG LEU A 547 17.197 3.456 -0.684 1.00 0.50 C ATOM 606 CD1 LEU A 547 18.167 4.410 -0.005 1.00 0.66 C ATOM 607 CD2 LEU A 547 15.995 4.219 -1.217 1.00 0.46 C ATOM 0 H LEU A 547 16.701 0.688 -0.940 1.00 0.53 H new ATOM 0 HA LEU A 547 19.138 1.056 -2.353 1.00 0.64 H new ATOM 0 HB2 LEU A 547 18.605 3.363 -2.290 1.00 0.59 H new ATOM 0 HB3 LEU A 547 17.131 2.460 -2.575 1.00 0.59 H new ATOM 0 HG LEU A 547 16.858 2.732 0.057 1.00 0.50 H new ATOM 0 HD11 LEU A 547 17.655 4.939 0.799 1.00 0.66 H new ATOM 0 HD12 LEU A 547 19.003 3.846 0.407 1.00 0.66 H new ATOM 0 HD13 LEU A 547 18.539 5.130 -0.734 1.00 0.66 H new ATOM 0 HD21 LEU A 547 15.514 4.757 -0.400 1.00 0.46 H new ATOM 0 HD22 LEU A 547 16.322 4.929 -1.977 1.00 0.46 H new ATOM 0 HD23 LEU A 547 15.285 3.518 -1.657 1.00 0.46 H new ATOM 619 N GLU A 548 19.219 1.526 0.879 1.00 0.69 N ATOM 620 CA GLU A 548 20.130 1.613 2.013 1.00 0.85 C ATOM 621 C GLU A 548 21.084 0.421 2.042 1.00 0.97 C ATOM 622 O GLU A 548 22.241 0.553 2.435 1.00 1.12 O ATOM 623 CB GLU A 548 19.371 1.724 3.336 1.00 0.87 C ATOM 624 CG GLU A 548 18.632 3.042 3.494 1.00 0.88 C ATOM 625 CD GLU A 548 18.280 3.348 4.934 1.00 1.55 C ATOM 626 OE1 GLU A 548 17.228 2.882 5.416 1.00 1.98 O ATOM 627 OE2 GLU A 548 19.061 4.058 5.598 1.00 2.23 O ATOM 0 H GLU A 548 18.239 1.404 1.133 1.00 0.69 H new ATOM 0 HA GLU A 548 20.718 2.522 1.888 1.00 0.85 H new ATOM 0 HB2 GLU A 548 18.657 0.904 3.407 1.00 0.87 H new ATOM 0 HB3 GLU A 548 20.074 1.608 4.161 1.00 0.87 H new ATOM 0 HG2 GLU A 548 19.248 3.849 3.096 1.00 0.88 H new ATOM 0 HG3 GLU A 548 17.719 3.015 2.899 1.00 0.88 H new ATOM 634 N ALA A 549 20.594 -0.745 1.638 1.00 0.93 N ATOM 635 CA ALA A 549 21.437 -1.931 1.527 1.00 1.09 C ATOM 636 C ALA A 549 22.534 -1.712 0.490 1.00 1.20 C ATOM 637 O ALA A 549 23.659 -2.176 0.659 1.00 1.35 O ATOM 638 CB ALA A 549 20.603 -3.152 1.174 1.00 1.06 C ATOM 0 H ALA A 549 19.618 -0.895 1.382 1.00 0.93 H new ATOM 0 HA ALA A 549 21.908 -2.108 2.494 1.00 1.09 H new ATOM 0 HB1 ALA A 549 21.251 -4.025 1.096 1.00 1.06 H new ATOM 0 HB2 ALA A 549 19.858 -3.321 1.952 1.00 1.06 H new ATOM 0 HB3 ALA A 549 20.101 -2.987 0.221 1.00 1.06 H new ATOM 644 N GLN A 550 22.198 -0.990 -0.575 1.00 1.15 N ATOM 645 CA GLN A 550 23.180 -0.616 -1.587 1.00 1.31 C ATOM 646 C GLN A 550 24.232 0.306 -0.974 1.00 1.43 C ATOM 647 O GLN A 550 25.429 0.162 -1.223 1.00 1.65 O ATOM 648 CB GLN A 550 22.491 0.077 -2.763 1.00 1.26 C ATOM 649 CG GLN A 550 21.448 -0.786 -3.448 1.00 1.20 C ATOM 650 CD GLN A 550 20.851 -0.113 -4.666 1.00 1.71 C ATOM 651 OE1 GLN A 550 21.365 -0.242 -5.773 1.00 2.38 O ATOM 652 NE2 GLN A 550 19.755 0.601 -4.470 1.00 2.29 N ATOM 0 H GLN A 550 21.253 -0.652 -0.759 1.00 1.15 H new ATOM 0 HA GLN A 550 23.670 -1.518 -1.954 1.00 1.31 H new ATOM 0 HB2 GLN A 550 22.017 0.992 -2.408 1.00 1.26 H new ATOM 0 HB3 GLN A 550 23.245 0.371 -3.494 1.00 1.26 H new ATOM 0 HG2 GLN A 550 21.901 -1.732 -3.745 1.00 1.20 H new ATOM 0 HG3 GLN A 550 20.653 -1.021 -2.740 1.00 1.20 H new ATOM 0 HE21 GLN A 550 19.360 0.682 -3.533 1.00 2.29 H new ATOM 0 HE22 GLN A 550 19.305 1.070 -5.256 1.00 2.29 H new ATOM 661 N LYS A 551 23.769 1.249 -0.160 1.00 1.33 N ATOM 662 CA LYS A 551 24.660 2.124 0.602 1.00 1.50 C ATOM 663 C LYS A 551 25.531 1.301 1.537 1.00 1.72 C ATOM 664 O LYS A 551 26.713 1.582 1.712 1.00 2.01 O ATOM 665 CB LYS A 551 23.843 3.124 1.417 1.00 1.43 C ATOM 666 CG LYS A 551 23.003 4.065 0.575 1.00 1.36 C ATOM 667 CD LYS A 551 23.867 5.080 -0.148 1.00 1.66 C ATOM 668 CE LYS A 551 23.033 6.013 -1.005 1.00 1.93 C ATOM 669 NZ LYS A 551 23.866 7.066 -1.640 1.00 2.36 N ATOM 0 H LYS A 551 22.776 1.429 -0.009 1.00 1.33 H new ATOM 0 HA LYS A 551 25.297 2.665 -0.098 1.00 1.50 H new ATOM 0 HB2 LYS A 551 23.188 2.576 2.094 1.00 1.43 H new ATOM 0 HB3 LYS A 551 24.520 3.713 2.035 1.00 1.43 H new ATOM 0 HG2 LYS A 551 22.428 3.491 -0.152 1.00 1.36 H new ATOM 0 HG3 LYS A 551 22.286 4.583 1.211 1.00 1.36 H new ATOM 0 HD2 LYS A 551 24.433 5.662 0.580 1.00 1.66 H new ATOM 0 HD3 LYS A 551 24.593 4.561 -0.774 1.00 1.66 H new ATOM 0 HE2 LYS A 551 22.522 5.438 -1.777 1.00 1.93 H new ATOM 0 HE3 LYS A 551 22.262 6.479 -0.392 1.00 1.93 H new ATOM 0 HZ1 LYS A 551 23.262 7.685 -2.218 1.00 2.36 H new ATOM 0 HZ2 LYS A 551 24.334 7.630 -0.902 1.00 2.36 H new ATOM 0 HZ3 LYS A 551 24.586 6.621 -2.245 1.00 2.36 H new ATOM 683 N SER A 552 24.929 0.282 2.127 1.00 1.61 N ATOM 684 CA SER A 552 25.641 -0.624 3.018 1.00 1.82 C ATOM 685 C SER A 552 26.765 -1.345 2.274 1.00 1.95 C ATOM 686 O SER A 552 27.827 -1.593 2.838 1.00 2.23 O ATOM 687 CB SER A 552 24.667 -1.632 3.629 1.00 1.69 C ATOM 688 OG SER A 552 23.583 -0.969 4.262 1.00 1.76 O ATOM 0 H SER A 552 23.941 0.059 2.005 1.00 1.61 H new ATOM 0 HA SER A 552 26.090 -0.039 3.821 1.00 1.82 H new ATOM 0 HB2 SER A 552 24.289 -2.295 2.851 1.00 1.69 H new ATOM 0 HB3 SER A 552 25.190 -2.256 4.354 1.00 1.69 H new ATOM 0 HG SER A 552 23.030 -0.526 3.585 1.00 1.76 H new ATOM 694 N GLU A 553 26.526 -1.666 1.007 1.00 1.81 N ATOM 695 CA GLU A 553 27.552 -2.267 0.161 1.00 2.00 C ATOM 696 C GLU A 553 28.632 -1.246 -0.178 1.00 2.25 C ATOM 697 O GLU A 553 29.821 -1.568 -0.218 1.00 2.55 O ATOM 698 CB GLU A 553 26.930 -2.810 -1.128 1.00 1.88 C ATOM 699 CG GLU A 553 25.991 -3.980 -0.903 1.00 1.75 C ATOM 700 CD GLU A 553 26.713 -5.217 -0.412 1.00 1.97 C ATOM 701 OE1 GLU A 553 27.177 -6.016 -1.254 1.00 1.91 O ATOM 702 OE2 GLU A 553 26.823 -5.402 0.816 1.00 2.46 O ATOM 0 H GLU A 553 25.630 -1.520 0.542 1.00 1.81 H new ATOM 0 HA GLU A 553 28.007 -3.091 0.711 1.00 2.00 H new ATOM 0 HB2 GLU A 553 26.385 -2.007 -1.625 1.00 1.88 H new ATOM 0 HB3 GLU A 553 27.727 -3.119 -1.804 1.00 1.88 H new ATOM 0 HG2 GLU A 553 25.229 -3.696 -0.177 1.00 1.75 H new ATOM 0 HG3 GLU A 553 25.474 -4.211 -1.834 1.00 1.75 H new ATOM 709 N GLY A 554 28.208 -0.014 -0.428 1.00 2.16 N ATOM 710 CA GLY A 554 29.139 1.051 -0.754 1.00 2.43 C ATOM 711 C GLY A 554 30.018 1.440 0.419 1.00 2.68 C ATOM 712 O GLY A 554 31.232 1.588 0.275 1.00 2.98 O ATOM 0 H GLY A 554 27.228 0.269 -0.411 1.00 2.16 H new ATOM 0 HA2 GLY A 554 29.769 0.735 -1.586 1.00 2.43 H new ATOM 0 HA3 GLY A 554 28.581 1.925 -1.090 1.00 2.43 H new ATOM 716 N LYS A 555 29.404 1.607 1.584 1.00 2.59 N ATOM 717 CA LYS A 555 30.131 2.002 2.791 1.00 2.88 C ATOM 718 C LYS A 555 30.996 0.857 3.322 1.00 3.09 C ATOM 719 O LYS A 555 31.914 1.077 4.113 1.00 3.44 O ATOM 720 CB LYS A 555 29.146 2.443 3.877 1.00 2.82 C ATOM 721 CG LYS A 555 28.384 1.288 4.512 1.00 2.71 C ATOM 722 CD LYS A 555 27.386 1.763 5.554 1.00 2.71 C ATOM 723 CE LYS A 555 28.062 2.579 6.645 1.00 2.99 C ATOM 724 NZ LYS A 555 27.115 2.936 7.729 1.00 3.58 N ATOM 0 H LYS A 555 28.402 1.475 1.722 1.00 2.59 H new ATOM 0 HA LYS A 555 30.785 2.833 2.527 1.00 2.88 H new ATOM 0 HB2 LYS A 555 29.691 2.979 4.654 1.00 2.82 H new ATOM 0 HB3 LYS A 555 28.432 3.145 3.446 1.00 2.82 H new ATOM 0 HG2 LYS A 555 27.859 0.731 3.736 1.00 2.71 H new ATOM 0 HG3 LYS A 555 29.091 0.600 4.976 1.00 2.71 H new ATOM 0 HD2 LYS A 555 26.615 2.365 5.073 1.00 2.71 H new ATOM 0 HD3 LYS A 555 26.886 0.903 5.999 1.00 2.71 H new ATOM 0 HE2 LYS A 555 28.894 2.011 7.061 1.00 2.99 H new ATOM 0 HE3 LYS A 555 28.480 3.488 6.213 1.00 2.99 H new ATOM 0 HZ1 LYS A 555 27.611 3.492 8.455 1.00 3.58 H new ATOM 0 HZ2 LYS A 555 26.334 3.499 7.336 1.00 3.58 H new ATOM 0 HZ3 LYS A 555 26.735 2.068 8.158 1.00 3.58 H new ATOM 738 N SER A 556 30.693 -0.358 2.887 1.00 2.91 N ATOM 739 CA SER A 556 31.377 -1.546 3.373 1.00 3.12 C ATOM 740 C SER A 556 32.807 -1.602 2.845 1.00 3.40 C ATOM 741 O SER A 556 33.118 -1.029 1.799 1.00 3.67 O ATOM 742 CB SER A 556 30.608 -2.797 2.944 1.00 2.84 C ATOM 743 OG SER A 556 31.065 -3.950 3.628 1.00 3.07 O ATOM 0 H SER A 556 29.971 -0.547 2.192 1.00 2.91 H new ATOM 0 HA SER A 556 31.417 -1.503 4.461 1.00 3.12 H new ATOM 0 HB2 SER A 556 29.545 -2.656 3.138 1.00 2.84 H new ATOM 0 HB3 SER A 556 30.719 -2.943 1.870 1.00 2.84 H new ATOM 0 HG SER A 556 30.552 -4.731 3.332 1.00 3.07 H new ATOM 749 N LEU A 557 33.669 -2.295 3.573 1.00 3.70 N ATOM 750 CA LEU A 557 35.066 -2.422 3.192 1.00 4.05 C ATOM 751 C LEU A 557 35.337 -3.816 2.634 1.00 4.48 C ATOM 752 O LEU A 557 35.949 -4.637 3.347 1.00 4.98 O ATOM 753 CB LEU A 557 35.985 -2.162 4.396 1.00 4.73 C ATOM 754 CG LEU A 557 35.999 -0.730 4.952 1.00 5.04 C ATOM 755 CD1 LEU A 557 34.703 -0.401 5.679 1.00 5.74 C ATOM 756 CD2 LEU A 557 37.183 -0.547 5.886 1.00 5.35 C ATOM 757 OXT LEU A 557 34.919 -4.100 1.491 1.00 4.73 O ATOM 0 H LEU A 557 33.423 -2.780 4.436 1.00 3.70 H new ATOM 0 HA LEU A 557 35.276 -1.679 2.423 1.00 4.05 H new ATOM 0 HB2 LEU A 557 35.693 -2.837 5.200 1.00 4.73 H new ATOM 0 HB3 LEU A 557 37.003 -2.427 4.111 1.00 4.73 H new ATOM 0 HG LEU A 557 36.093 -0.044 4.110 1.00 5.04 H new ATOM 0 HD11 LEU A 557 34.748 0.620 6.059 1.00 5.74 H new ATOM 0 HD12 LEU A 557 33.865 -0.494 4.989 1.00 5.74 H new ATOM 0 HD13 LEU A 557 34.567 -1.092 6.511 1.00 5.74 H new ATOM 0 HD21 LEU A 557 37.185 0.471 6.276 1.00 5.35 H new ATOM 0 HD22 LEU A 557 37.106 -1.252 6.714 1.00 5.35 H new ATOM 0 HD23 LEU A 557 38.109 -0.728 5.340 1.00 5.35 H new TER 769 LEU A 557