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= 0.04 K(o=-1,f=0.086) USER MOD Set 1.2: A 544 GLN : amide:sc= -1.08 K(o=-1,f=0.086) USER MOD Single : A 511 SER OG : rot -0:sc= 0.404 USER MOD Single : A 514 THR OG1 : rot 180:sc= 0.0667 USER MOD Single : A 515 CYS SG : rot -20:sc= 0.00168 USER MOD Single : A 516 MET CE :methyl -146:sc= -0.409 (180deg=-1.3!) USER MOD Single : A 517 SER OG : rot 180:sc= 0 USER MOD Single : A 520 SER OG : rot 84:sc= 1.29 USER MOD Single : A 521 GLN : amide:sc= -1.03 K(o=-1,f=-5!) USER MOD Single : A 524 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0199) USER MOD Single : A 526 THR OG1 : rot 180:sc= 0 USER MOD Single : A 527 LYS NZ :NH3+ 144:sc= 1.28 (180deg=-0.373) USER MOD Single : A 528 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.0042) 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 80:sc= 1.26 USER MOD Single : A 538 THR OG1 : rot 92:sc= 1.23 USER MOD Single : A 540 GLN : amide:sc= -1.64 K(o=-1.6,f=-0.058) USER MOD Single : A 542 GLN : amide:sc= -3.42! K(o=-3.4!,f=-0.87) USER MOD Single : A 545 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 550 GLN : amide:sc= -1.77 X(o=-1.8,f=-1.5) USER MOD Single : A 551 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 552 SER OG : rot 72:sc= 0.294 USER MOD Single : A 555 LYS NZ :NH3+ 164:sc= -0.0564 (180deg=-0.299) USER MOD Single : A 556 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 510 -34.843 10.692 -6.329 1.00 9.10 N ATOM 2 CA GLY A 510 -33.956 10.298 -5.211 1.00 8.55 C ATOM 3 C GLY A 510 -32.906 9.305 -5.652 1.00 7.83 C ATOM 4 O GLY A 510 -32.874 8.905 -6.818 1.00 8.04 O ATOM 0 HA2 GLY A 510 -33.470 11.184 -4.803 1.00 8.55 H new ATOM 0 HA3 GLY A 510 -34.553 9.864 -4.409 1.00 8.55 H new ATOM 10 N SER A 511 -32.040 8.911 -4.734 1.00 7.22 N ATOM 11 CA SER A 511 -31.009 7.929 -5.026 1.00 6.73 C ATOM 12 C SER A 511 -30.603 7.194 -3.754 1.00 6.19 C ATOM 13 O SER A 511 -29.639 7.563 -3.091 1.00 5.90 O ATOM 14 CB SER A 511 -29.790 8.596 -5.671 1.00 6.95 C ATOM 15 OG SER A 511 -30.140 9.187 -6.911 1.00 7.47 O ATOM 0 H SER A 511 -32.031 9.258 -3.775 1.00 7.22 H new ATOM 0 HA SER A 511 -31.415 7.205 -5.733 1.00 6.73 H new ATOM 0 HB2 SER A 511 -29.388 9.356 -5.001 1.00 6.95 H new ATOM 0 HB3 SER A 511 -29.003 7.857 -5.824 1.00 6.95 H new ATOM 0 HG SER A 511 -31.091 9.031 -7.091 1.00 7.47 H new ATOM 21 N VAL A 512 -31.353 6.158 -3.416 1.00 6.20 N ATOM 22 CA VAL A 512 -31.072 5.369 -2.224 1.00 5.78 C ATOM 23 C VAL A 512 -30.477 4.029 -2.622 1.00 5.49 C ATOM 24 O VAL A 512 -29.393 3.656 -2.174 1.00 5.11 O ATOM 25 CB VAL A 512 -32.341 5.129 -1.385 1.00 6.06 C ATOM 26 CG1 VAL A 512 -31.984 4.420 -0.091 1.00 5.88 C ATOM 27 CG2 VAL A 512 -33.057 6.442 -1.100 1.00 6.40 C ATOM 0 H VAL A 512 -32.163 5.842 -3.950 1.00 6.20 H new ATOM 0 HA VAL A 512 -30.363 5.932 -1.617 1.00 5.78 H new ATOM 0 HB VAL A 512 -33.019 4.494 -1.955 1.00 6.06 H new ATOM 0 HG11 VAL A 512 -32.888 4.255 0.495 1.00 5.88 H new ATOM 0 HG12 VAL A 512 -31.519 3.461 -0.318 1.00 5.88 H new ATOM 0 HG13 VAL A 512 -31.288 5.034 0.481 1.00 5.88 H new ATOM 0 HG21 VAL A 512 -33.950 6.248 -0.506 1.00 6.40 H new ATOM 0 HG22 VAL A 512 -32.392 7.107 -0.549 1.00 6.40 H new ATOM 0 HG23 VAL A 512 -33.342 6.913 -2.041 1.00 6.40 H new ATOM 37 N GLU A 513 -31.187 3.328 -3.491 1.00 5.73 N ATOM 38 CA GLU A 513 -30.756 2.031 -3.981 1.00 5.58 C ATOM 39 C GLU A 513 -29.481 2.170 -4.806 1.00 5.26 C ATOM 40 O GLU A 513 -28.568 1.351 -4.704 1.00 4.95 O ATOM 41 CB GLU A 513 -31.865 1.364 -4.807 1.00 6.03 C ATOM 42 CG GLU A 513 -32.286 2.127 -6.064 1.00 6.54 C ATOM 43 CD GLU A 513 -33.030 3.421 -5.781 1.00 7.02 C ATOM 44 OE1 GLU A 513 -32.370 4.463 -5.584 1.00 7.40 O ATOM 45 OE2 GLU A 513 -34.276 3.408 -5.773 1.00 7.27 O ATOM 0 H GLU A 513 -32.078 3.643 -3.876 1.00 5.73 H new ATOM 0 HA GLU A 513 -30.544 1.394 -3.122 1.00 5.58 H new ATOM 0 HB2 GLU A 513 -31.530 0.369 -5.100 1.00 6.03 H new ATOM 0 HB3 GLU A 513 -32.740 1.231 -4.171 1.00 6.03 H new ATOM 0 HG2 GLU A 513 -31.398 2.352 -6.654 1.00 6.54 H new ATOM 0 HG3 GLU A 513 -32.919 1.482 -6.673 1.00 6.54 H new ATOM 52 N THR A 514 -29.414 3.227 -5.606 1.00 5.38 N ATOM 53 CA THR A 514 -28.242 3.496 -6.417 1.00 5.15 C ATOM 54 C THR A 514 -27.062 3.901 -5.547 1.00 4.74 C ATOM 55 O THR A 514 -25.955 3.383 -5.709 1.00 4.68 O ATOM 56 CB THR A 514 -28.525 4.598 -7.446 1.00 5.39 C ATOM 57 OG1 THR A 514 -29.491 5.516 -6.918 1.00 5.70 O ATOM 58 CG2 THR A 514 -29.032 4.009 -8.747 1.00 5.67 C ATOM 0 H THR A 514 -30.163 3.912 -5.708 1.00 5.38 H new ATOM 0 HA THR A 514 -27.993 2.577 -6.947 1.00 5.15 H new ATOM 0 HB THR A 514 -27.593 5.126 -7.650 1.00 5.39 H new ATOM 0 HG1 THR A 514 -29.668 6.219 -7.577 1.00 5.70 H new ATOM 0 HG21 THR A 514 -29.225 4.811 -9.459 1.00 5.67 H new ATOM 0 HG22 THR A 514 -28.282 3.333 -9.157 1.00 5.67 H new ATOM 0 HG23 THR A 514 -29.954 3.459 -8.562 1.00 5.67 H new ATOM 66 N CYS A 515 -27.311 4.809 -4.609 1.00 4.56 N ATOM 67 CA CYS A 515 -26.267 5.283 -3.714 1.00 4.21 C ATOM 68 C CYS A 515 -25.724 4.139 -2.869 1.00 3.93 C ATOM 69 O CYS A 515 -24.523 4.050 -2.643 1.00 3.56 O ATOM 70 CB CYS A 515 -26.783 6.404 -2.813 1.00 4.40 C ATOM 71 SG CYS A 515 -25.569 7.006 -1.614 1.00 4.96 S ATOM 0 H CYS A 515 -28.227 5.230 -4.451 1.00 4.56 H new ATOM 0 HA CYS A 515 -25.458 5.681 -4.327 1.00 4.21 H new ATOM 0 HB2 CYS A 515 -27.106 7.238 -3.437 1.00 4.40 H new ATOM 0 HB3 CYS A 515 -27.662 6.048 -2.276 1.00 4.40 H new ATOM 0 HG CYS A 515 -24.644 6.108 -1.445 1.00 4.96 H new ATOM 77 N MET A 516 -26.602 3.259 -2.413 1.00 4.13 N ATOM 78 CA MET A 516 -26.171 2.116 -1.622 1.00 3.95 C ATOM 79 C MET A 516 -25.250 1.217 -2.440 1.00 3.70 C ATOM 80 O MET A 516 -24.230 0.742 -1.941 1.00 3.40 O ATOM 81 CB MET A 516 -27.370 1.320 -1.114 1.00 4.28 C ATOM 82 CG MET A 516 -26.988 0.159 -0.211 1.00 4.27 C ATOM 83 SD MET A 516 -28.430 -0.671 0.482 1.00 4.83 S ATOM 84 CE MET A 516 -29.230 0.703 1.308 1.00 5.80 C ATOM 0 H MET A 516 -27.608 3.312 -2.575 1.00 4.13 H new ATOM 0 HA MET A 516 -25.620 2.492 -0.760 1.00 3.95 H new ATOM 0 HB2 MET A 516 -28.036 1.989 -0.570 1.00 4.28 H new ATOM 0 HB3 MET A 516 -27.930 0.937 -1.967 1.00 4.28 H new ATOM 0 HG2 MET A 516 -26.395 -0.559 -0.777 1.00 4.27 H new ATOM 0 HG3 MET A 516 -26.357 0.524 0.599 1.00 4.27 H new ATOM 0 HE1 MET A 516 -29.719 0.348 2.215 1.00 5.80 H new ATOM 0 HE2 MET A 516 -28.485 1.455 1.568 1.00 5.80 H new ATOM 0 HE3 MET A 516 -29.974 1.144 0.644 1.00 5.80 H new ATOM 94 N SER A 517 -25.601 1.011 -3.702 1.00 3.87 N ATOM 95 CA SER A 517 -24.813 0.161 -4.576 1.00 3.73 C ATOM 96 C SER A 517 -23.443 0.783 -4.850 1.00 3.38 C ATOM 97 O SER A 517 -22.415 0.114 -4.709 1.00 3.11 O ATOM 98 CB SER A 517 -25.566 -0.086 -5.889 1.00 4.09 C ATOM 99 OG SER A 517 -24.812 -0.895 -6.775 1.00 4.52 O ATOM 0 H SER A 517 -26.425 1.421 -4.141 1.00 3.87 H new ATOM 0 HA SER A 517 -24.654 -0.795 -4.078 1.00 3.73 H new ATOM 0 HB2 SER A 517 -26.520 -0.568 -5.677 1.00 4.09 H new ATOM 0 HB3 SER A 517 -25.790 0.868 -6.367 1.00 4.09 H new ATOM 0 HG SER A 517 -25.319 -1.035 -7.602 1.00 4.52 H new ATOM 105 N LEU A 518 -23.416 2.066 -5.204 1.00 3.41 N ATOM 106 CA LEU A 518 -22.154 2.734 -5.492 1.00 3.15 C ATOM 107 C LEU A 518 -21.291 2.868 -4.242 1.00 2.83 C ATOM 108 O LEU A 518 -20.081 2.658 -4.299 1.00 2.54 O ATOM 109 CB LEU A 518 -22.356 4.098 -6.179 1.00 3.32 C ATOM 110 CG LEU A 518 -23.403 5.051 -5.584 1.00 3.52 C ATOM 111 CD1 LEU A 518 -22.826 5.866 -4.435 1.00 3.34 C ATOM 112 CD2 LEU A 518 -23.946 5.973 -6.665 1.00 3.86 C ATOM 0 H LEU A 518 -24.243 2.655 -5.297 1.00 3.41 H new ATOM 0 HA LEU A 518 -21.621 2.098 -6.198 1.00 3.15 H new ATOM 0 HB2 LEU A 518 -21.397 4.616 -6.185 1.00 3.32 H new ATOM 0 HB3 LEU A 518 -22.624 3.913 -7.219 1.00 3.32 H new ATOM 0 HG LEU A 518 -24.219 4.447 -5.186 1.00 3.52 H new ATOM 0 HD11 LEU A 518 -23.594 6.530 -4.038 1.00 3.34 H new ATOM 0 HD12 LEU A 518 -22.485 5.194 -3.648 1.00 3.34 H new ATOM 0 HD13 LEU A 518 -21.985 6.459 -4.796 1.00 3.34 H new ATOM 0 HD21 LEU A 518 -24.688 6.644 -6.232 1.00 3.86 H new ATOM 0 HD22 LEU A 518 -23.130 6.558 -7.088 1.00 3.86 H new ATOM 0 HD23 LEU A 518 -24.411 5.378 -7.451 1.00 3.86 H new ATOM 124 N ALA A 519 -21.922 3.194 -3.118 1.00 2.92 N ATOM 125 CA ALA A 519 -21.213 3.362 -1.850 1.00 2.71 C ATOM 126 C ALA A 519 -20.559 2.060 -1.408 1.00 2.50 C ATOM 127 O ALA A 519 -19.436 2.065 -0.912 1.00 2.24 O ATOM 128 CB ALA A 519 -22.158 3.872 -0.772 1.00 2.96 C ATOM 0 H ALA A 519 -22.928 3.348 -3.058 1.00 2.92 H new ATOM 0 HA ALA A 519 -20.426 4.101 -2.003 1.00 2.71 H new ATOM 0 HB1 ALA A 519 -21.612 3.991 0.164 1.00 2.96 H new ATOM 0 HB2 ALA A 519 -22.571 4.834 -1.076 1.00 2.96 H new ATOM 0 HB3 ALA A 519 -22.969 3.157 -0.631 1.00 2.96 H new ATOM 134 N SER A 520 -21.258 0.946 -1.593 1.00 2.66 N ATOM 135 CA SER A 520 -20.704 -0.359 -1.259 1.00 2.54 C ATOM 136 C SER A 520 -19.493 -0.660 -2.135 1.00 2.31 C ATOM 137 O SER A 520 -18.493 -1.184 -1.658 1.00 2.10 O ATOM 138 CB SER A 520 -21.766 -1.446 -1.412 1.00 2.83 C ATOM 139 OG SER A 520 -22.884 -1.177 -0.583 1.00 2.98 O ATOM 0 H SER A 520 -22.205 0.921 -1.971 1.00 2.66 H new ATOM 0 HA SER A 520 -20.380 -0.344 -0.218 1.00 2.54 H new ATOM 0 HB2 SER A 520 -22.085 -1.505 -2.453 1.00 2.83 H new ATOM 0 HB3 SER A 520 -21.340 -2.416 -1.153 1.00 2.83 H new ATOM 0 HG SER A 520 -23.487 -0.554 -1.040 1.00 2.98 H new ATOM 145 N GLN A 521 -19.576 -0.302 -3.410 1.00 2.40 N ATOM 146 CA GLN A 521 -18.447 -0.466 -4.314 1.00 2.26 C ATOM 147 C GLN A 521 -17.296 0.441 -3.897 1.00 1.95 C ATOM 148 O GLN A 521 -16.135 0.043 -3.957 1.00 1.75 O ATOM 149 CB GLN A 521 -18.859 -0.191 -5.756 1.00 2.49 C ATOM 150 CG GLN A 521 -19.810 -1.231 -6.323 1.00 2.84 C ATOM 151 CD GLN A 521 -19.131 -2.563 -6.598 1.00 3.23 C ATOM 152 OE1 GLN A 521 -18.137 -2.920 -5.965 1.00 3.85 O ATOM 153 NE2 GLN A 521 -19.677 -3.319 -7.534 1.00 3.40 N ATOM 0 H GLN A 521 -20.409 0.102 -3.839 1.00 2.40 H new ATOM 0 HA GLN A 521 -18.109 -1.501 -4.255 1.00 2.26 H new ATOM 0 HB2 GLN A 521 -19.332 0.790 -5.810 1.00 2.49 H new ATOM 0 HB3 GLN A 521 -17.966 -0.149 -6.379 1.00 2.49 H new ATOM 0 HG2 GLN A 521 -20.632 -1.385 -5.624 1.00 2.84 H new ATOM 0 HG3 GLN A 521 -20.245 -0.853 -7.248 1.00 2.84 H new ATOM 0 HE21 GLN A 521 -20.501 -2.991 -8.038 1.00 3.40 H new ATOM 0 HE22 GLN A 521 -19.275 -4.231 -7.752 1.00 3.40 H new ATOM 162 N VAL A 522 -17.624 1.649 -3.452 1.00 1.94 N ATOM 163 CA VAL A 522 -16.627 2.553 -2.887 1.00 1.71 C ATOM 164 C VAL A 522 -15.993 1.919 -1.651 1.00 1.52 C ATOM 165 O VAL A 522 -14.787 2.014 -1.439 1.00 1.28 O ATOM 166 CB VAL A 522 -17.236 3.928 -2.516 1.00 1.86 C ATOM 167 CG1 VAL A 522 -16.209 4.813 -1.823 1.00 1.69 C ATOM 168 CG2 VAL A 522 -17.775 4.622 -3.757 1.00 2.07 C ATOM 0 H VAL A 522 -18.572 2.025 -3.471 1.00 1.94 H new ATOM 0 HA VAL A 522 -15.866 2.722 -3.649 1.00 1.71 H new ATOM 0 HB VAL A 522 -18.059 3.755 -1.823 1.00 1.86 H new ATOM 0 HG11 VAL A 522 -16.664 5.772 -1.574 1.00 1.69 H new ATOM 0 HG12 VAL A 522 -15.866 4.326 -0.910 1.00 1.69 H new ATOM 0 HG13 VAL A 522 -15.361 4.976 -2.488 1.00 1.69 H new ATOM 0 HG21 VAL A 522 -18.199 5.587 -3.479 1.00 2.07 H new ATOM 0 HG22 VAL A 522 -16.965 4.774 -4.470 1.00 2.07 H new ATOM 0 HG23 VAL A 522 -18.548 4.003 -4.213 1.00 2.07 H new ATOM 178 N VAL A 523 -16.822 1.265 -0.846 1.00 1.66 N ATOM 179 CA VAL A 523 -16.366 0.549 0.333 1.00 1.58 C ATOM 180 C VAL A 523 -15.417 -0.593 -0.049 1.00 1.41 C ATOM 181 O VAL A 523 -14.400 -0.810 0.608 1.00 1.24 O ATOM 182 CB VAL A 523 -17.583 0.025 1.134 1.00 1.85 C ATOM 183 CG1 VAL A 523 -17.239 -1.220 1.931 1.00 1.86 C ATOM 184 CG2 VAL A 523 -18.119 1.114 2.051 1.00 1.98 C ATOM 0 H VAL A 523 -17.830 1.218 -0.995 1.00 1.66 H new ATOM 0 HA VAL A 523 -15.806 1.237 0.966 1.00 1.58 H new ATOM 0 HB VAL A 523 -18.358 -0.249 0.418 1.00 1.85 H new ATOM 0 HG11 VAL A 523 -18.119 -1.556 2.479 1.00 1.86 H new ATOM 0 HG12 VAL A 523 -16.911 -2.008 1.252 1.00 1.86 H new ATOM 0 HG13 VAL A 523 -16.439 -0.992 2.635 1.00 1.86 H new ATOM 0 HG21 VAL A 523 -18.974 0.732 2.608 1.00 1.98 H new ATOM 0 HG22 VAL A 523 -17.339 1.419 2.748 1.00 1.98 H new ATOM 0 HG23 VAL A 523 -18.428 1.972 1.455 1.00 1.98 H new ATOM 194 N LYS A 524 -15.741 -1.308 -1.120 1.00 1.52 N ATOM 195 CA LYS A 524 -14.859 -2.354 -1.634 1.00 1.44 C ATOM 196 C LYS A 524 -13.559 -1.748 -2.150 1.00 1.21 C ATOM 197 O LYS A 524 -12.474 -2.284 -1.919 1.00 1.07 O ATOM 198 CB LYS A 524 -15.545 -3.149 -2.751 1.00 1.69 C ATOM 199 CG LYS A 524 -16.306 -4.369 -2.268 1.00 1.91 C ATOM 200 CD LYS A 524 -17.501 -3.968 -1.434 1.00 2.09 C ATOM 201 CE LYS A 524 -18.203 -5.175 -0.839 1.00 2.33 C ATOM 202 NZ LYS A 524 -18.841 -6.015 -1.884 1.00 2.48 N ATOM 0 H LYS A 524 -16.604 -1.185 -1.649 1.00 1.52 H new ATOM 0 HA LYS A 524 -14.632 -3.035 -0.814 1.00 1.44 H new ATOM 0 HB2 LYS A 524 -16.234 -2.491 -3.280 1.00 1.69 H new ATOM 0 HB3 LYS A 524 -14.791 -3.466 -3.471 1.00 1.69 H new ATOM 0 HG2 LYS A 524 -16.637 -4.958 -3.124 1.00 1.91 H new ATOM 0 HG3 LYS A 524 -15.645 -5.005 -1.680 1.00 1.91 H new ATOM 0 HD2 LYS A 524 -17.178 -3.303 -0.633 1.00 2.09 H new ATOM 0 HD3 LYS A 524 -18.203 -3.407 -2.051 1.00 2.09 H new ATOM 0 HE2 LYS A 524 -17.484 -5.774 -0.280 1.00 2.33 H new ATOM 0 HE3 LYS A 524 -18.960 -4.841 -0.129 1.00 2.33 H new ATOM 0 HZ1 LYS A 524 -19.380 -6.781 -1.432 1.00 2.48 H new ATOM 0 HZ2 LYS A 524 -19.483 -5.430 -2.456 1.00 2.48 H new ATOM 0 HZ3 LYS A 524 -18.107 -6.424 -2.497 1.00 2.48 H new ATOM 216 N LEU A 525 -13.678 -0.620 -2.841 1.00 1.21 N ATOM 217 CA LEU A 525 -12.516 0.088 -3.353 1.00 1.06 C ATOM 218 C LEU A 525 -11.644 0.588 -2.214 1.00 0.82 C ATOM 219 O LEU A 525 -10.441 0.369 -2.211 1.00 0.67 O ATOM 220 CB LEU A 525 -12.936 1.259 -4.245 1.00 1.19 C ATOM 221 CG LEU A 525 -13.002 0.947 -5.745 1.00 1.42 C ATOM 222 CD1 LEU A 525 -13.758 -0.347 -5.994 1.00 1.62 C ATOM 223 CD2 LEU A 525 -13.656 2.099 -6.494 1.00 1.56 C ATOM 0 H LEU A 525 -14.571 -0.177 -3.059 1.00 1.21 H new ATOM 0 HA LEU A 525 -11.938 -0.614 -3.954 1.00 1.06 H new ATOM 0 HB2 LEU A 525 -13.916 1.609 -3.920 1.00 1.19 H new ATOM 0 HB3 LEU A 525 -12.236 2.081 -4.092 1.00 1.19 H new ATOM 0 HG LEU A 525 -11.985 0.822 -6.116 1.00 1.42 H new ATOM 0 HD11 LEU A 525 -13.792 -0.548 -7.065 1.00 1.62 H new ATOM 0 HD12 LEU A 525 -13.251 -1.168 -5.487 1.00 1.62 H new ATOM 0 HD13 LEU A 525 -14.774 -0.255 -5.610 1.00 1.62 H new ATOM 0 HD21 LEU A 525 -13.697 1.865 -7.558 1.00 1.56 H new ATOM 0 HD22 LEU A 525 -14.667 2.251 -6.117 1.00 1.56 H new ATOM 0 HD23 LEU A 525 -13.073 3.008 -6.345 1.00 1.56 H new ATOM 235 N THR A 526 -12.255 1.235 -1.232 1.00 0.84 N ATOM 236 CA THR A 526 -11.503 1.777 -0.110 1.00 0.73 C ATOM 237 C THR A 526 -10.856 0.649 0.687 1.00 0.62 C ATOM 238 O THR A 526 -9.762 0.811 1.210 1.00 0.52 O ATOM 239 CB THR A 526 -12.370 2.666 0.822 1.00 0.91 C ATOM 240 OG1 THR A 526 -11.529 3.417 1.711 1.00 1.14 O ATOM 241 CG2 THR A 526 -13.351 1.843 1.647 1.00 1.40 C ATOM 0 H THR A 526 -13.261 1.397 -1.189 1.00 0.84 H new ATOM 0 HA THR A 526 -10.728 2.419 -0.529 1.00 0.73 H new ATOM 0 HB THR A 526 -12.941 3.339 0.182 1.00 0.91 H new ATOM 0 HG1 THR A 526 -12.085 3.976 2.293 1.00 1.14 H new ATOM 0 HG21 THR A 526 -13.936 2.506 2.284 1.00 1.40 H new ATOM 0 HG22 THR A 526 -14.019 1.297 0.980 1.00 1.40 H new ATOM 0 HG23 THR A 526 -12.801 1.136 2.268 1.00 1.40 H new ATOM 249 N LYS A 527 -11.525 -0.494 0.756 1.00 0.72 N ATOM 250 CA LYS A 527 -10.967 -1.662 1.417 1.00 0.71 C ATOM 251 C LYS A 527 -9.719 -2.136 0.683 1.00 0.55 C ATOM 252 O LYS A 527 -8.648 -2.293 1.283 1.00 0.47 O ATOM 253 CB LYS A 527 -12.029 -2.767 1.463 1.00 0.91 C ATOM 254 CG LYS A 527 -11.506 -4.149 1.815 1.00 1.04 C ATOM 255 CD LYS A 527 -10.741 -4.147 3.124 1.00 1.12 C ATOM 256 CE LYS A 527 -11.560 -3.570 4.263 1.00 1.24 C ATOM 257 NZ LYS A 527 -10.842 -3.693 5.559 1.00 1.60 N ATOM 0 H LYS A 527 -12.455 -0.636 0.362 1.00 0.72 H new ATOM 0 HA LYS A 527 -10.678 -1.405 2.436 1.00 0.71 H new ATOM 0 HB2 LYS A 527 -12.791 -2.487 2.191 1.00 0.91 H new ATOM 0 HB3 LYS A 527 -12.520 -2.818 0.491 1.00 0.91 H new ATOM 0 HG2 LYS A 527 -12.341 -4.847 1.883 1.00 1.04 H new ATOM 0 HG3 LYS A 527 -10.857 -4.506 1.016 1.00 1.04 H new ATOM 0 HD2 LYS A 527 -10.444 -5.166 3.372 1.00 1.12 H new ATOM 0 HD3 LYS A 527 -9.825 -3.568 3.007 1.00 1.12 H new ATOM 0 HE2 LYS A 527 -11.777 -2.521 4.063 1.00 1.24 H new ATOM 0 HE3 LYS A 527 -12.517 -4.087 4.324 1.00 1.24 H new ATOM 0 HZ1 LYS A 527 -11.039 -2.857 6.146 1.00 1.60 H new ATOM 0 HZ2 LYS A 527 -11.165 -4.548 6.055 1.00 1.60 H new ATOM 0 HZ3 LYS A 527 -9.819 -3.759 5.384 1.00 1.60 H new ATOM 271 N GLN A 528 -9.848 -2.297 -0.622 1.00 0.59 N ATOM 272 CA GLN A 528 -8.760 -2.803 -1.432 1.00 0.55 C ATOM 273 C GLN A 528 -7.632 -1.783 -1.522 1.00 0.40 C ATOM 274 O GLN A 528 -6.474 -2.115 -1.294 1.00 0.37 O ATOM 275 CB GLN A 528 -9.268 -3.154 -2.830 1.00 0.75 C ATOM 276 CG GLN A 528 -8.253 -3.901 -3.678 1.00 1.38 C ATOM 277 CD GLN A 528 -8.779 -4.248 -5.057 1.00 1.87 C ATOM 278 OE1 GLN A 528 -8.016 -4.344 -6.016 1.00 2.56 O ATOM 279 NE2 GLN A 528 -10.083 -4.449 -5.164 1.00 2.33 N ATOM 0 H GLN A 528 -10.699 -2.083 -1.142 1.00 0.59 H new ATOM 0 HA GLN A 528 -8.368 -3.704 -0.959 1.00 0.55 H new ATOM 0 HB2 GLN A 528 -10.169 -3.761 -2.738 1.00 0.75 H new ATOM 0 HB3 GLN A 528 -9.553 -2.236 -3.344 1.00 0.75 H new ATOM 0 HG2 GLN A 528 -7.354 -3.293 -3.780 1.00 1.38 H new ATOM 0 HG3 GLN A 528 -7.962 -4.817 -3.164 1.00 1.38 H new ATOM 0 HE21 GLN A 528 -10.682 -4.359 -4.343 1.00 2.33 H new ATOM 0 HE22 GLN A 528 -10.489 -4.693 -6.067 1.00 2.33 H new ATOM 288 N LEU A 529 -7.983 -0.537 -1.815 1.00 0.37 N ATOM 289 CA LEU A 529 -6.995 0.511 -2.036 1.00 0.33 C ATOM 290 C LEU A 529 -6.254 0.874 -0.760 1.00 0.22 C ATOM 291 O LEU A 529 -5.030 0.960 -0.760 1.00 0.26 O ATOM 292 CB LEU A 529 -7.674 1.760 -2.585 1.00 0.43 C ATOM 293 CG LEU A 529 -8.282 1.613 -3.978 1.00 0.58 C ATOM 294 CD1 LEU A 529 -9.149 2.818 -4.286 1.00 0.67 C ATOM 295 CD2 LEU A 529 -7.189 1.454 -5.024 1.00 0.69 C ATOM 0 H LEU A 529 -8.950 -0.227 -1.905 1.00 0.37 H new ATOM 0 HA LEU A 529 -6.271 0.125 -2.754 1.00 0.33 H new ATOM 0 HB2 LEU A 529 -8.461 2.060 -1.893 1.00 0.43 H new ATOM 0 HB3 LEU A 529 -6.945 2.570 -2.608 1.00 0.43 H new ATOM 0 HG LEU A 529 -8.903 0.717 -4.002 1.00 0.58 H new ATOM 0 HD11 LEU A 529 -9.582 2.710 -5.281 1.00 0.67 H new ATOM 0 HD12 LEU A 529 -9.948 2.889 -3.548 1.00 0.67 H new ATOM 0 HD13 LEU A 529 -8.541 3.722 -4.251 1.00 0.67 H new ATOM 0 HD21 LEU A 529 -7.641 1.351 -6.010 1.00 0.69 H new ATOM 0 HD22 LEU A 529 -6.543 2.332 -5.011 1.00 0.69 H new ATOM 0 HD23 LEU A 529 -6.598 0.566 -4.801 1.00 0.69 H new ATOM 307 N LYS A 530 -6.993 1.070 0.328 1.00 0.23 N ATOM 308 CA LYS A 530 -6.382 1.465 1.597 1.00 0.30 C ATOM 309 C LYS A 530 -5.397 0.404 2.071 1.00 0.24 C ATOM 310 O LYS A 530 -4.254 0.714 2.409 1.00 0.29 O ATOM 311 CB LYS A 530 -7.442 1.701 2.678 1.00 0.47 C ATOM 312 CG LYS A 530 -6.875 2.215 3.991 1.00 1.14 C ATOM 313 CD LYS A 530 -6.318 3.616 3.843 1.00 1.72 C ATOM 314 CE LYS A 530 -5.541 4.037 5.074 1.00 2.36 C ATOM 315 NZ LYS A 530 -5.091 5.449 4.974 1.00 2.78 N ATOM 0 H LYS A 530 -8.007 0.963 0.359 1.00 0.23 H new ATOM 0 HA LYS A 530 -5.849 2.400 1.425 1.00 0.30 H new ATOM 0 HB2 LYS A 530 -8.175 2.416 2.305 1.00 0.47 H new ATOM 0 HB3 LYS A 530 -7.973 0.767 2.863 1.00 0.47 H new ATOM 0 HG2 LYS A 530 -7.655 2.211 4.752 1.00 1.14 H new ATOM 0 HG3 LYS A 530 -6.089 1.544 4.337 1.00 1.14 H new ATOM 0 HD2 LYS A 530 -5.669 3.660 2.969 1.00 1.72 H new ATOM 0 HD3 LYS A 530 -7.134 4.317 3.669 1.00 1.72 H new ATOM 0 HE2 LYS A 530 -6.165 3.914 5.959 1.00 2.36 H new ATOM 0 HE3 LYS A 530 -4.676 3.386 5.201 1.00 2.36 H new ATOM 0 HZ1 LYS A 530 -4.562 5.706 5.832 1.00 2.78 H new ATOM 0 HZ2 LYS A 530 -4.476 5.559 4.142 1.00 2.78 H new ATOM 0 HZ3 LYS A 530 -5.919 6.071 4.878 1.00 2.78 H new ATOM 329 N GLU A 531 -5.832 -0.851 2.064 1.00 0.21 N ATOM 330 CA GLU A 531 -4.980 -1.937 2.509 1.00 0.26 C ATOM 331 C GLU A 531 -3.862 -2.205 1.507 1.00 0.23 C ATOM 332 O GLU A 531 -2.755 -2.570 1.896 1.00 0.26 O ATOM 333 CB GLU A 531 -5.798 -3.189 2.808 1.00 0.37 C ATOM 334 CG GLU A 531 -6.682 -3.011 4.033 1.00 0.50 C ATOM 335 CD GLU A 531 -7.177 -4.318 4.606 1.00 0.68 C ATOM 336 OE1 GLU A 531 -6.398 -5.289 4.644 1.00 1.00 O ATOM 337 OE2 GLU A 531 -8.338 -4.372 5.058 1.00 0.98 O ATOM 0 H GLU A 531 -6.762 -1.136 1.757 1.00 0.21 H new ATOM 0 HA GLU A 531 -4.505 -1.636 3.443 1.00 0.26 H new ATOM 0 HB2 GLU A 531 -6.418 -3.432 1.945 1.00 0.37 H new ATOM 0 HB3 GLU A 531 -5.126 -4.033 2.965 1.00 0.37 H new ATOM 0 HG2 GLU A 531 -6.124 -2.474 4.800 1.00 0.50 H new ATOM 0 HG3 GLU A 531 -7.538 -2.391 3.768 1.00 0.50 H new ATOM 344 N GLN A 532 -4.147 -2.028 0.221 1.00 0.23 N ATOM 345 CA GLN A 532 -3.101 -2.106 -0.797 1.00 0.32 C ATOM 346 C GLN A 532 -2.050 -1.027 -0.547 1.00 0.33 C ATOM 347 O GLN A 532 -0.860 -1.256 -0.728 1.00 0.41 O ATOM 348 CB GLN A 532 -3.687 -1.930 -2.199 1.00 0.40 C ATOM 349 CG GLN A 532 -2.647 -1.965 -3.308 1.00 0.97 C ATOM 350 CD GLN A 532 -3.201 -1.521 -4.646 1.00 1.51 C ATOM 351 OE1 GLN A 532 -3.171 -0.336 -4.981 1.00 2.20 O ATOM 352 NE2 GLN A 532 -3.695 -2.465 -5.424 1.00 2.06 N ATOM 0 H GLN A 532 -5.081 -1.832 -0.140 1.00 0.23 H new ATOM 0 HA GLN A 532 -2.639 -3.091 -0.734 1.00 0.32 H new ATOM 0 HB2 GLN A 532 -4.421 -2.716 -2.377 1.00 0.40 H new ATOM 0 HB3 GLN A 532 -4.220 -0.980 -2.243 1.00 0.40 H new ATOM 0 HG2 GLN A 532 -1.810 -1.323 -3.035 1.00 0.97 H new ATOM 0 HG3 GLN A 532 -2.255 -2.978 -3.400 1.00 0.97 H new ATOM 0 HE21 GLN A 532 -3.701 -3.435 -5.108 1.00 2.06 H new ATOM 0 HE22 GLN A 532 -4.071 -2.225 -6.341 1.00 2.06 H new ATOM 361 N THR A 533 -2.498 0.148 -0.123 1.00 0.29 N ATOM 362 CA THR A 533 -1.592 1.255 0.133 1.00 0.36 C ATOM 363 C THR A 533 -0.661 0.942 1.302 1.00 0.35 C ATOM 364 O THR A 533 0.545 1.146 1.205 1.00 0.41 O ATOM 365 CB THR A 533 -2.349 2.572 0.414 1.00 0.41 C ATOM 366 OG1 THR A 533 -3.271 2.852 -0.650 1.00 0.45 O ATOM 367 CG2 THR A 533 -1.372 3.732 0.548 1.00 0.53 C ATOM 0 H THR A 533 -3.481 0.357 0.050 1.00 0.29 H new ATOM 0 HA THR A 533 -1.001 1.389 -0.773 1.00 0.36 H new ATOM 0 HB THR A 533 -2.897 2.455 1.349 1.00 0.41 H new ATOM 0 HG1 THR A 533 -4.084 2.320 -0.527 1.00 0.45 H new ATOM 0 HG21 THR A 533 -1.923 4.651 0.746 1.00 0.53 H new ATOM 0 HG22 THR A 533 -0.686 3.536 1.372 1.00 0.53 H new ATOM 0 HG23 THR A 533 -0.806 3.840 -0.378 1.00 0.53 H new ATOM 375 N VAL A 534 -1.213 0.415 2.395 1.00 0.29 N ATOM 376 CA VAL A 534 -0.413 0.153 3.591 1.00 0.32 C ATOM 377 C VAL A 534 0.634 -0.941 3.347 1.00 0.32 C ATOM 378 O VAL A 534 1.758 -0.846 3.842 1.00 0.35 O ATOM 379 CB VAL A 534 -1.276 -0.191 4.828 1.00 0.32 C ATOM 380 CG1 VAL A 534 -2.171 0.984 5.196 1.00 0.36 C ATOM 381 CG2 VAL A 534 -2.110 -1.437 4.601 1.00 0.28 C ATOM 0 H VAL A 534 -2.198 0.164 2.477 1.00 0.29 H new ATOM 0 HA VAL A 534 0.107 1.085 3.809 1.00 0.32 H new ATOM 0 HB VAL A 534 -0.597 -0.393 5.656 1.00 0.32 H new ATOM 0 HG11 VAL A 534 -2.771 0.725 6.068 1.00 0.36 H new ATOM 0 HG12 VAL A 534 -1.554 1.853 5.425 1.00 0.36 H new ATOM 0 HG13 VAL A 534 -2.829 1.216 4.359 1.00 0.36 H new ATOM 0 HG21 VAL A 534 -2.702 -1.646 5.492 1.00 0.28 H new ATOM 0 HG22 VAL A 534 -2.775 -1.280 3.752 1.00 0.28 H new ATOM 0 HG23 VAL A 534 -1.453 -2.282 4.396 1.00 0.28 H new ATOM 391 N GLU A 535 0.281 -1.975 2.594 1.00 0.29 N ATOM 392 CA GLU A 535 1.252 -3.004 2.245 1.00 0.32 C ATOM 393 C GLU A 535 2.250 -2.463 1.222 1.00 0.36 C ATOM 394 O GLU A 535 3.426 -2.817 1.243 1.00 0.39 O ATOM 395 CB GLU A 535 0.553 -4.258 1.712 1.00 0.34 C ATOM 396 CG GLU A 535 -0.296 -4.009 0.481 1.00 0.36 C ATOM 397 CD GLU A 535 -0.878 -5.276 -0.106 1.00 0.54 C ATOM 398 OE1 GLU A 535 -1.880 -5.786 0.435 1.00 0.81 O ATOM 399 OE2 GLU A 535 -0.337 -5.771 -1.117 1.00 0.69 O ATOM 0 H GLU A 535 -0.656 -2.123 2.218 1.00 0.29 H new ATOM 0 HA GLU A 535 1.796 -3.284 3.147 1.00 0.32 H new ATOM 0 HB2 GLU A 535 1.306 -5.010 1.476 1.00 0.34 H new ATOM 0 HB3 GLU A 535 -0.077 -4.673 2.498 1.00 0.34 H new ATOM 0 HG2 GLU A 535 -1.108 -3.329 0.739 1.00 0.36 H new ATOM 0 HG3 GLU A 535 0.310 -3.510 -0.276 1.00 0.36 H new ATOM 406 N ARG A 536 1.776 -1.578 0.351 1.00 0.38 N ATOM 407 CA ARG A 536 2.613 -0.985 -0.684 1.00 0.44 C ATOM 408 C ARG A 536 3.617 0.007 -0.095 1.00 0.46 C ATOM 409 O ARG A 536 4.768 0.036 -0.512 1.00 0.49 O ATOM 410 CB ARG A 536 1.745 -0.320 -1.754 1.00 0.49 C ATOM 411 CG ARG A 536 2.535 0.355 -2.857 1.00 0.59 C ATOM 412 CD ARG A 536 2.408 1.859 -2.758 1.00 0.65 C ATOM 413 NE ARG A 536 1.042 2.305 -3.037 1.00 0.70 N ATOM 414 CZ ARG A 536 0.723 3.527 -3.466 1.00 0.93 C ATOM 415 NH1 ARG A 536 1.667 4.433 -3.687 1.00 1.38 N ATOM 416 NH2 ARG A 536 -0.547 3.834 -3.686 1.00 0.94 N ATOM 0 H ARG A 536 0.809 -1.254 0.343 1.00 0.38 H new ATOM 0 HA ARG A 536 3.187 -1.785 -1.152 1.00 0.44 H new ATOM 0 HB2 ARG A 536 1.092 -1.072 -2.197 1.00 0.49 H new ATOM 0 HB3 ARG A 536 1.102 0.419 -1.277 1.00 0.49 H new ATOM 0 HG2 ARG A 536 3.584 0.068 -2.788 1.00 0.59 H new ATOM 0 HG3 ARG A 536 2.175 0.017 -3.829 1.00 0.59 H new ATOM 0 HD2 ARG A 536 2.701 2.184 -1.760 1.00 0.65 H new ATOM 0 HD3 ARG A 536 3.096 2.330 -3.461 1.00 0.65 H new ATOM 0 HE ARG A 536 0.284 1.637 -2.894 1.00 0.70 H new ATOM 0 HH11 ARG A 536 2.647 4.198 -3.529 1.00 1.38 H new ATOM 0 HH12 ARG A 536 1.413 5.365 -4.015 1.00 1.38 H new ATOM 0 HH21 ARG A 536 -1.275 3.137 -3.527 1.00 0.94 H new ATOM 0 HH22 ARG A 536 -0.797 4.767 -4.014 1.00 0.94 H new ATOM 430 N VAL A 537 3.194 0.812 0.877 1.00 0.45 N ATOM 431 CA VAL A 537 4.120 1.723 1.553 1.00 0.49 C ATOM 432 C VAL A 537 5.153 0.922 2.333 1.00 0.45 C ATOM 433 O VAL A 537 6.330 1.272 2.374 1.00 0.48 O ATOM 434 CB VAL A 537 3.414 2.728 2.497 1.00 0.51 C ATOM 435 CG1 VAL A 537 2.432 3.582 1.717 1.00 0.55 C ATOM 436 CG2 VAL A 537 2.708 2.021 3.645 1.00 0.47 C ATOM 0 H VAL A 537 2.231 0.854 1.212 1.00 0.45 H new ATOM 0 HA VAL A 537 4.603 2.313 0.774 1.00 0.49 H new ATOM 0 HB VAL A 537 4.180 3.372 2.929 1.00 0.51 H new ATOM 0 HG11 VAL A 537 1.943 4.284 2.393 1.00 0.55 H new ATOM 0 HG12 VAL A 537 2.965 4.135 0.943 1.00 0.55 H new ATOM 0 HG13 VAL A 537 1.681 2.942 1.253 1.00 0.55 H new ATOM 0 HG21 VAL A 537 2.225 2.759 4.285 1.00 0.47 H new ATOM 0 HG22 VAL A 537 1.957 1.340 3.246 1.00 0.47 H new ATOM 0 HG23 VAL A 537 3.436 1.457 4.228 1.00 0.47 H new ATOM 446 N THR A 538 4.695 -0.156 2.949 1.00 0.40 N ATOM 447 CA THR A 538 5.570 -1.089 3.633 1.00 0.38 C ATOM 448 C THR A 538 6.547 -1.731 2.636 1.00 0.36 C ATOM 449 O THR A 538 7.718 -1.953 2.943 1.00 0.34 O ATOM 450 CB THR A 538 4.739 -2.169 4.351 1.00 0.35 C ATOM 451 OG1 THR A 538 3.914 -1.560 5.358 1.00 0.36 O ATOM 452 CG2 THR A 538 5.632 -3.221 4.983 1.00 0.36 C ATOM 0 H THR A 538 3.707 -0.407 2.988 1.00 0.40 H new ATOM 0 HA THR A 538 6.149 -0.546 4.380 1.00 0.38 H new ATOM 0 HB THR A 538 4.109 -2.661 3.610 1.00 0.35 H new ATOM 0 HG1 THR A 538 3.037 -1.345 4.977 1.00 0.36 H new ATOM 0 HG21 THR A 538 5.016 -3.969 5.482 1.00 0.36 H new ATOM 0 HG22 THR A 538 6.231 -3.702 4.210 1.00 0.36 H new ATOM 0 HG23 THR A 538 6.291 -2.749 5.712 1.00 0.36 H new ATOM 460 N LEU A 539 6.056 -2.014 1.435 1.00 0.37 N ATOM 461 CA LEU A 539 6.884 -2.506 0.350 1.00 0.37 C ATOM 462 C LEU A 539 7.884 -1.423 -0.063 1.00 0.38 C ATOM 463 O LEU A 539 9.054 -1.706 -0.297 1.00 0.35 O ATOM 464 CB LEU A 539 5.963 -2.938 -0.811 1.00 0.42 C ATOM 465 CG LEU A 539 6.620 -3.336 -2.139 1.00 0.47 C ATOM 466 CD1 LEU A 539 6.984 -2.103 -2.941 1.00 0.52 C ATOM 467 CD2 LEU A 539 7.844 -4.208 -1.908 1.00 0.44 C ATOM 0 H LEU A 539 5.072 -1.907 1.190 1.00 0.37 H new ATOM 0 HA LEU A 539 7.466 -3.374 0.660 1.00 0.37 H new ATOM 0 HB2 LEU A 539 5.366 -3.782 -0.467 1.00 0.42 H new ATOM 0 HB3 LEU A 539 5.272 -2.119 -1.012 1.00 0.42 H new ATOM 0 HG LEU A 539 5.898 -3.920 -2.710 1.00 0.47 H new ATOM 0 HD11 LEU A 539 7.449 -2.404 -3.880 1.00 0.52 H new ATOM 0 HD12 LEU A 539 6.083 -1.526 -3.151 1.00 0.52 H new ATOM 0 HD13 LEU A 539 7.682 -1.491 -2.370 1.00 0.52 H new ATOM 0 HD21 LEU A 539 8.288 -4.474 -2.867 1.00 0.44 H new ATOM 0 HD22 LEU A 539 8.573 -3.661 -1.310 1.00 0.44 H new ATOM 0 HD23 LEU A 539 7.550 -5.115 -1.380 1.00 0.44 H new ATOM 479 N GLN A 540 7.416 -0.184 -0.136 1.00 0.43 N ATOM 480 CA GLN A 540 8.292 0.952 -0.419 1.00 0.45 C ATOM 481 C GLN A 540 9.340 1.110 0.671 1.00 0.35 C ATOM 482 O GLN A 540 10.458 1.535 0.407 1.00 0.30 O ATOM 483 CB GLN A 540 7.492 2.241 -0.544 1.00 0.58 C ATOM 484 CG GLN A 540 6.552 2.263 -1.732 1.00 0.69 C ATOM 485 CD GLN A 540 7.286 2.231 -3.059 1.00 0.73 C ATOM 486 OE1 GLN A 540 7.677 3.272 -3.585 1.00 1.05 O ATOM 487 NE2 GLN A 540 7.464 1.044 -3.618 1.00 1.55 N ATOM 0 H GLN A 540 6.435 0.063 -0.004 1.00 0.43 H new ATOM 0 HA GLN A 540 8.791 0.753 -1.368 1.00 0.45 H new ATOM 0 HB2 GLN A 540 6.914 2.389 0.368 1.00 0.58 H new ATOM 0 HB3 GLN A 540 8.183 3.080 -0.623 1.00 0.58 H new ATOM 0 HG2 GLN A 540 5.878 1.408 -1.673 1.00 0.69 H new ATOM 0 HG3 GLN A 540 5.934 3.160 -1.685 1.00 0.69 H new ATOM 0 HE21 GLN A 540 7.125 0.204 -3.150 1.00 1.55 H new ATOM 0 HE22 GLN A 540 7.940 0.970 -4.517 1.00 1.55 H new ATOM 496 N ASN A 541 8.967 0.777 1.895 1.00 0.37 N ATOM 497 CA ASN A 541 9.908 0.771 3.014 1.00 0.34 C ATOM 498 C ASN A 541 10.997 -0.270 2.771 1.00 0.25 C ATOM 499 O ASN A 541 12.179 -0.020 2.998 1.00 0.25 O ATOM 500 CB ASN A 541 9.181 0.470 4.324 1.00 0.42 C ATOM 501 CG ASN A 541 10.115 0.465 5.520 1.00 0.49 C ATOM 502 OD1 ASN A 541 11.099 1.202 5.563 1.00 1.08 O ATOM 503 ND2 ASN A 541 9.810 -0.366 6.503 1.00 1.21 N ATOM 0 H ASN A 541 8.016 0.505 2.145 1.00 0.37 H new ATOM 0 HA ASN A 541 10.365 1.757 3.090 1.00 0.34 H new ATOM 0 HB2 ASN A 541 8.399 1.213 4.481 1.00 0.42 H new ATOM 0 HB3 ASN A 541 8.688 -0.499 4.248 1.00 0.42 H new ATOM 0 HD21 ASN A 541 10.400 -0.411 7.334 1.00 1.21 H new ATOM 0 HD22 ASN A 541 8.985 -0.961 6.430 1.00 1.21 H new ATOM 510 N GLN A 542 10.580 -1.435 2.294 1.00 0.22 N ATOM 511 CA GLN A 542 11.509 -2.492 1.919 1.00 0.21 C ATOM 512 C GLN A 542 12.380 -2.031 0.754 1.00 0.18 C ATOM 513 O GLN A 542 13.577 -2.318 0.698 1.00 0.24 O ATOM 514 CB GLN A 542 10.732 -3.756 1.536 1.00 0.27 C ATOM 515 CG GLN A 542 9.884 -4.311 2.669 1.00 0.33 C ATOM 516 CD GLN A 542 9.042 -5.500 2.249 1.00 1.18 C ATOM 517 OE1 GLN A 542 9.492 -6.644 2.288 1.00 1.94 O ATOM 518 NE2 GLN A 542 7.798 -5.242 1.876 1.00 1.98 N ATOM 0 H GLN A 542 9.598 -1.673 2.157 1.00 0.22 H new ATOM 0 HA GLN A 542 12.154 -2.720 2.768 1.00 0.21 H new ATOM 0 HB2 GLN A 542 10.088 -3.533 0.685 1.00 0.27 H new ATOM 0 HB3 GLN A 542 11.436 -4.522 1.211 1.00 0.27 H new ATOM 0 HG2 GLN A 542 10.535 -4.606 3.492 1.00 0.33 H new ATOM 0 HG3 GLN A 542 9.230 -3.524 3.046 1.00 0.33 H new ATOM 0 HE21 GLN A 542 7.461 -4.280 1.856 1.00 1.98 H new ATOM 0 HE22 GLN A 542 7.177 -6.006 1.608 1.00 1.98 H new ATOM 527 N LEU A 543 11.764 -1.310 -0.175 1.00 0.19 N ATOM 528 CA LEU A 543 12.473 -0.741 -1.311 1.00 0.23 C ATOM 529 C LEU A 543 13.429 0.352 -0.843 1.00 0.16 C ATOM 530 O LEU A 543 14.482 0.558 -1.431 1.00 0.24 O ATOM 531 CB LEU A 543 11.476 -0.191 -2.339 1.00 0.34 C ATOM 532 CG LEU A 543 12.074 0.223 -3.691 1.00 0.46 C ATOM 533 CD1 LEU A 543 11.058 0.020 -4.799 1.00 0.61 C ATOM 534 CD2 LEU A 543 12.525 1.677 -3.672 1.00 0.43 C ATOM 0 H LEU A 543 10.765 -1.105 -0.161 1.00 0.19 H new ATOM 0 HA LEU A 543 13.059 -1.526 -1.790 1.00 0.23 H new ATOM 0 HB2 LEU A 543 10.712 -0.947 -2.517 1.00 0.34 H new ATOM 0 HB3 LEU A 543 10.974 0.674 -1.905 1.00 0.34 H new ATOM 0 HG LEU A 543 12.944 -0.406 -3.877 1.00 0.46 H new ATOM 0 HD11 LEU A 543 11.495 0.317 -5.752 1.00 0.61 H new ATOM 0 HD12 LEU A 543 10.773 -1.031 -4.843 1.00 0.61 H new ATOM 0 HD13 LEU A 543 10.175 0.628 -4.599 1.00 0.61 H new ATOM 0 HD21 LEU A 543 12.944 1.941 -4.643 1.00 0.43 H new ATOM 0 HD22 LEU A 543 11.671 2.320 -3.458 1.00 0.43 H new ATOM 0 HD23 LEU A 543 13.283 1.813 -2.901 1.00 0.43 H new ATOM 546 N GLN A 544 13.047 1.047 0.217 1.00 0.11 N ATOM 547 CA GLN A 544 13.881 2.074 0.809 1.00 0.20 C ATOM 548 C GLN A 544 15.196 1.470 1.290 1.00 0.29 C ATOM 549 O GLN A 544 16.269 2.005 1.024 1.00 0.37 O ATOM 550 CB GLN A 544 13.135 2.739 1.961 1.00 0.32 C ATOM 551 CG GLN A 544 13.949 3.789 2.681 1.00 0.49 C ATOM 552 CD GLN A 544 13.196 4.414 3.838 1.00 0.78 C ATOM 553 OE1 GLN A 544 13.386 5.584 4.158 1.00 1.34 O ATOM 554 NE2 GLN A 544 12.344 3.633 4.488 1.00 1.64 N ATOM 0 H GLN A 544 12.152 0.914 0.688 1.00 0.11 H new ATOM 0 HA GLN A 544 14.110 2.831 0.059 1.00 0.20 H new ATOM 0 HB2 GLN A 544 12.224 3.198 1.577 1.00 0.32 H new ATOM 0 HB3 GLN A 544 12.830 1.974 2.675 1.00 0.32 H new ATOM 0 HG2 GLN A 544 14.870 3.339 3.052 1.00 0.49 H new ATOM 0 HG3 GLN A 544 14.236 4.568 1.975 1.00 0.49 H new ATOM 0 HE21 GLN A 544 12.212 2.665 4.193 1.00 1.64 H new ATOM 0 HE22 GLN A 544 11.820 4.000 5.283 1.00 1.64 H new ATOM 563 N GLN A 545 15.103 0.341 1.978 1.00 0.33 N ATOM 564 CA GLN A 545 16.276 -0.405 2.395 1.00 0.47 C ATOM 565 C GLN A 545 17.088 -0.831 1.171 1.00 0.50 C ATOM 566 O GLN A 545 18.320 -0.827 1.181 1.00 0.63 O ATOM 567 CB GLN A 545 15.828 -1.632 3.181 1.00 0.53 C ATOM 568 CG GLN A 545 16.935 -2.280 3.979 1.00 1.16 C ATOM 569 CD GLN A 545 16.463 -3.509 4.728 1.00 1.53 C ATOM 570 OE1 GLN A 545 16.526 -4.628 4.215 1.00 1.91 O ATOM 571 NE2 GLN A 545 15.976 -3.315 5.943 1.00 2.20 N ATOM 0 H GLN A 545 14.218 -0.079 2.260 1.00 0.33 H new ATOM 0 HA GLN A 545 16.906 0.223 3.026 1.00 0.47 H new ATOM 0 HB2 GLN A 545 15.024 -1.345 3.859 1.00 0.53 H new ATOM 0 HB3 GLN A 545 15.414 -2.365 2.488 1.00 0.53 H new ATOM 0 HG2 GLN A 545 17.749 -2.557 3.309 1.00 1.16 H new ATOM 0 HG3 GLN A 545 17.338 -1.558 4.689 1.00 1.16 H new ATOM 0 HE21 GLN A 545 15.940 -2.374 6.334 1.00 2.20 H new ATOM 0 HE22 GLN A 545 15.636 -4.107 6.489 1.00 2.20 H new ATOM 580 N PHE A 546 16.371 -1.181 0.112 1.00 0.42 N ATOM 581 CA PHE A 546 16.972 -1.611 -1.143 1.00 0.53 C ATOM 582 C PHE A 546 17.708 -0.455 -1.846 1.00 0.61 C ATOM 583 O PHE A 546 18.840 -0.622 -2.311 1.00 0.77 O ATOM 584 CB PHE A 546 15.863 -2.229 -2.014 1.00 0.54 C ATOM 585 CG PHE A 546 16.045 -2.103 -3.498 1.00 0.68 C ATOM 586 CD1 PHE A 546 16.863 -2.970 -4.198 1.00 1.26 C ATOM 587 CD2 PHE A 546 15.365 -1.118 -4.192 1.00 0.93 C ATOM 588 CE1 PHE A 546 17.003 -2.854 -5.569 1.00 1.38 C ATOM 589 CE2 PHE A 546 15.499 -0.995 -5.554 1.00 1.03 C ATOM 590 CZ PHE A 546 16.320 -1.863 -6.247 1.00 0.99 C ATOM 0 H PHE A 546 15.351 -1.175 0.099 1.00 0.42 H new ATOM 0 HA PHE A 546 17.737 -2.364 -0.956 1.00 0.53 H new ATOM 0 HB2 PHE A 546 15.782 -3.287 -1.767 1.00 0.54 H new ATOM 0 HB3 PHE A 546 14.915 -1.764 -1.744 1.00 0.54 H new ATOM 0 HD1 PHE A 546 17.398 -3.745 -3.669 1.00 1.26 H new ATOM 0 HD2 PHE A 546 14.720 -0.437 -3.656 1.00 0.93 H new ATOM 0 HE1 PHE A 546 17.644 -3.536 -6.108 1.00 1.38 H new ATOM 0 HE2 PHE A 546 14.963 -0.220 -6.082 1.00 1.03 H new ATOM 0 HZ PHE A 546 16.428 -1.767 -7.317 1.00 0.99 H new ATOM 600 N LEU A 547 17.076 0.714 -1.925 1.00 0.53 N ATOM 601 CA LEU A 547 17.716 1.892 -2.503 1.00 0.64 C ATOM 602 C LEU A 547 18.910 2.329 -1.655 1.00 0.74 C ATOM 603 O LEU A 547 19.916 2.801 -2.183 1.00 0.89 O ATOM 604 CB LEU A 547 16.701 3.034 -2.690 1.00 0.59 C ATOM 605 CG LEU A 547 16.217 3.767 -1.429 1.00 0.50 C ATOM 606 CD1 LEU A 547 17.161 4.901 -1.053 1.00 0.66 C ATOM 607 CD2 LEU A 547 14.808 4.299 -1.637 1.00 0.46 C ATOM 0 H LEU A 547 16.123 0.870 -1.597 1.00 0.53 H new ATOM 0 HA LEU A 547 18.093 1.629 -3.491 1.00 0.64 H new ATOM 0 HB2 LEU A 547 17.144 3.772 -3.359 1.00 0.59 H new ATOM 0 HB3 LEU A 547 15.827 2.627 -3.199 1.00 0.59 H new ATOM 0 HG LEU A 547 16.208 3.052 -0.606 1.00 0.50 H new ATOM 0 HD11 LEU A 547 16.791 5.400 -0.157 1.00 0.66 H new ATOM 0 HD12 LEU A 547 18.155 4.498 -0.860 1.00 0.66 H new ATOM 0 HD13 LEU A 547 17.213 5.618 -1.872 1.00 0.66 H new ATOM 0 HD21 LEU A 547 14.478 4.816 -0.736 1.00 0.46 H new ATOM 0 HD22 LEU A 547 14.802 4.994 -2.477 1.00 0.46 H new ATOM 0 HD23 LEU A 547 14.133 3.469 -1.847 1.00 0.46 H new ATOM 619 N GLU A 548 18.789 2.169 -0.345 1.00 0.69 N ATOM 620 CA GLU A 548 19.894 2.442 0.567 1.00 0.85 C ATOM 621 C GLU A 548 21.098 1.559 0.251 1.00 0.97 C ATOM 622 O GLU A 548 22.249 1.994 0.352 1.00 1.12 O ATOM 623 CB GLU A 548 19.454 2.238 2.016 1.00 0.87 C ATOM 624 CG GLU A 548 18.735 3.438 2.608 1.00 0.88 C ATOM 625 CD GLU A 548 19.673 4.606 2.829 1.00 1.55 C ATOM 626 OE1 GLU A 548 20.009 5.296 1.844 1.00 2.23 O ATOM 627 OE2 GLU A 548 20.069 4.852 3.983 1.00 1.98 O ATOM 0 H GLU A 548 17.935 1.851 0.113 1.00 0.69 H new ATOM 0 HA GLU A 548 20.191 3.482 0.433 1.00 0.85 H new ATOM 0 HB2 GLU A 548 18.798 1.369 2.069 1.00 0.87 H new ATOM 0 HB3 GLU A 548 20.330 2.013 2.625 1.00 0.87 H new ATOM 0 HG2 GLU A 548 17.927 3.742 1.942 1.00 0.88 H new ATOM 0 HG3 GLU A 548 18.277 3.156 3.556 1.00 0.88 H new ATOM 634 N ALA A 549 20.832 0.318 -0.139 1.00 0.93 N ATOM 635 CA ALA A 549 21.891 -0.585 -0.559 1.00 1.09 C ATOM 636 C ALA A 549 22.554 -0.065 -1.832 1.00 1.20 C ATOM 637 O ALA A 549 23.770 -0.163 -1.989 1.00 1.35 O ATOM 638 CB ALA A 549 21.347 -1.991 -0.757 1.00 1.06 C ATOM 0 H ALA A 549 19.895 -0.083 -0.172 1.00 0.93 H new ATOM 0 HA ALA A 549 22.648 -0.628 0.225 1.00 1.09 H new ATOM 0 HB1 ALA A 549 22.154 -2.653 -1.071 1.00 1.06 H new ATOM 0 HB2 ALA A 549 20.925 -2.353 0.180 1.00 1.06 H new ATOM 0 HB3 ALA A 549 20.571 -1.976 -1.522 1.00 1.06 H new ATOM 644 N GLN A 550 21.748 0.520 -2.721 1.00 1.15 N ATOM 645 CA GLN A 550 22.272 1.133 -3.945 1.00 1.31 C ATOM 646 C GLN A 550 23.239 2.258 -3.604 1.00 1.43 C ATOM 647 O GLN A 550 24.231 2.472 -4.294 1.00 1.65 O ATOM 648 CB GLN A 550 21.155 1.725 -4.803 1.00 1.26 C ATOM 649 CG GLN A 550 20.031 0.769 -5.148 1.00 1.20 C ATOM 650 CD GLN A 550 18.956 1.449 -5.971 1.00 1.71 C ATOM 651 OE1 GLN A 550 19.235 2.349 -6.763 1.00 2.38 O ATOM 652 NE2 GLN A 550 17.718 1.044 -5.772 1.00 2.29 N ATOM 0 H GLN A 550 20.735 0.582 -2.618 1.00 1.15 H new ATOM 0 HA GLN A 550 22.778 0.343 -4.500 1.00 1.31 H new ATOM 0 HB2 GLN A 550 20.733 2.583 -4.280 1.00 1.26 H new ATOM 0 HB3 GLN A 550 21.590 2.099 -5.730 1.00 1.26 H new ATOM 0 HG2 GLN A 550 20.431 -0.080 -5.701 1.00 1.20 H new ATOM 0 HG3 GLN A 550 19.593 0.374 -4.231 1.00 1.20 H new ATOM 0 HE21 GLN A 550 17.527 0.295 -5.107 1.00 2.29 H new ATOM 0 HE22 GLN A 550 16.950 1.480 -6.283 1.00 2.29 H new ATOM 661 N LYS A 551 22.925 2.997 -2.548 1.00 1.33 N ATOM 662 CA LYS A 551 23.760 4.111 -2.121 1.00 1.50 C ATOM 663 C LYS A 551 25.089 3.600 -1.598 1.00 1.72 C ATOM 664 O LYS A 551 26.143 4.144 -1.920 1.00 2.01 O ATOM 665 CB LYS A 551 23.061 4.919 -1.028 1.00 1.43 C ATOM 666 CG LYS A 551 21.640 5.334 -1.370 1.00 1.36 C ATOM 667 CD LYS A 551 21.595 6.267 -2.568 1.00 1.66 C ATOM 668 CE LYS A 551 20.174 6.732 -2.850 1.00 1.93 C ATOM 669 NZ LYS A 551 20.111 7.655 -4.015 1.00 2.36 N ATOM 0 H LYS A 551 22.098 2.845 -1.971 1.00 1.33 H new ATOM 0 HA LYS A 551 23.934 4.755 -2.983 1.00 1.50 H new ATOM 0 HB2 LYS A 551 23.044 4.330 -0.111 1.00 1.43 H new ATOM 0 HB3 LYS A 551 23.649 5.813 -0.821 1.00 1.43 H new ATOM 0 HG2 LYS A 551 21.043 4.446 -1.579 1.00 1.36 H new ATOM 0 HG3 LYS A 551 21.189 5.827 -0.509 1.00 1.36 H new ATOM 0 HD2 LYS A 551 22.233 7.131 -2.384 1.00 1.66 H new ATOM 0 HD3 LYS A 551 21.994 5.757 -3.445 1.00 1.66 H new ATOM 0 HE2 LYS A 551 19.540 5.866 -3.039 1.00 1.93 H new ATOM 0 HE3 LYS A 551 19.775 7.233 -1.968 1.00 1.93 H new ATOM 0 HZ1 LYS A 551 19.126 7.948 -4.173 1.00 2.36 H new ATOM 0 HZ2 LYS A 551 20.695 8.494 -3.825 1.00 2.36 H new ATOM 0 HZ3 LYS A 551 20.468 7.169 -4.863 1.00 2.36 H new ATOM 683 N SER A 552 25.029 2.542 -0.807 1.00 1.61 N ATOM 684 CA SER A 552 26.217 1.982 -0.187 1.00 1.82 C ATOM 685 C SER A 552 27.088 1.252 -1.209 1.00 1.95 C ATOM 686 O SER A 552 28.300 1.451 -1.254 1.00 2.23 O ATOM 687 CB SER A 552 25.810 1.038 0.947 1.00 1.69 C ATOM 688 OG SER A 552 24.921 1.683 1.851 1.00 1.76 O ATOM 0 H SER A 552 24.164 2.051 -0.578 1.00 1.61 H new ATOM 0 HA SER A 552 26.810 2.800 0.222 1.00 1.82 H new ATOM 0 HB2 SER A 552 25.332 0.150 0.533 1.00 1.69 H new ATOM 0 HB3 SER A 552 26.698 0.702 1.482 1.00 1.69 H new ATOM 0 HG SER A 552 24.045 1.794 1.425 1.00 1.76 H new ATOM 694 N GLU A 553 26.475 0.427 -2.045 1.00 1.81 N ATOM 695 CA GLU A 553 27.225 -0.320 -3.047 1.00 2.00 C ATOM 696 C GLU A 553 27.649 0.587 -4.193 1.00 2.25 C ATOM 697 O GLU A 553 28.725 0.424 -4.765 1.00 2.55 O ATOM 698 CB GLU A 553 26.397 -1.484 -3.575 1.00 1.88 C ATOM 699 CG GLU A 553 26.120 -2.540 -2.527 1.00 1.75 C ATOM 700 CD GLU A 553 27.384 -3.210 -2.035 1.00 1.97 C ATOM 701 OE1 GLU A 553 27.891 -4.122 -2.724 1.00 1.91 O ATOM 702 OE2 GLU A 553 27.886 -2.823 -0.960 1.00 2.46 O ATOM 0 H GLU A 553 25.469 0.258 -2.051 1.00 1.81 H new ATOM 0 HA GLU A 553 28.123 -0.716 -2.572 1.00 2.00 H new ATOM 0 HB2 GLU A 553 25.450 -1.104 -3.958 1.00 1.88 H new ATOM 0 HB3 GLU A 553 26.920 -1.942 -4.415 1.00 1.88 H new ATOM 0 HG2 GLU A 553 25.602 -2.084 -1.683 1.00 1.75 H new ATOM 0 HG3 GLU A 553 25.451 -3.293 -2.942 1.00 1.75 H new ATOM 709 N GLY A 554 26.799 1.548 -4.515 1.00 2.16 N ATOM 710 CA GLY A 554 27.102 2.493 -5.569 1.00 2.43 C ATOM 711 C GLY A 554 28.257 3.405 -5.213 1.00 2.68 C ATOM 712 O GLY A 554 29.114 3.688 -6.055 1.00 2.98 O ATOM 0 H GLY A 554 25.897 1.692 -4.061 1.00 2.16 H new ATOM 0 HA2 GLY A 554 27.341 1.949 -6.483 1.00 2.43 H new ATOM 0 HA3 GLY A 554 26.218 3.096 -5.778 1.00 2.43 H new ATOM 716 N LYS A 555 28.284 3.871 -3.967 1.00 2.59 N ATOM 717 CA LYS A 555 29.372 4.729 -3.500 1.00 2.88 C ATOM 718 C LYS A 555 30.676 3.938 -3.378 1.00 3.09 C ATOM 719 O LYS A 555 31.766 4.514 -3.377 1.00 3.44 O ATOM 720 CB LYS A 555 29.015 5.369 -2.151 1.00 2.82 C ATOM 721 CG LYS A 555 29.112 4.424 -0.966 1.00 2.71 C ATOM 722 CD LYS A 555 28.573 5.070 0.300 1.00 2.71 C ATOM 723 CE LYS A 555 28.746 4.163 1.508 1.00 2.99 C ATOM 724 NZ LYS A 555 30.172 3.839 1.767 1.00 3.58 N ATOM 0 H LYS A 555 27.571 3.671 -3.266 1.00 2.59 H new ATOM 0 HA LYS A 555 29.515 5.520 -4.236 1.00 2.88 H new ATOM 0 HB2 LYS A 555 29.676 6.218 -1.979 1.00 2.82 H new ATOM 0 HB3 LYS A 555 28.000 5.762 -2.206 1.00 2.82 H new ATOM 0 HG2 LYS A 555 28.553 3.512 -1.178 1.00 2.71 H new ATOM 0 HG3 LYS A 555 30.151 4.133 -0.814 1.00 2.71 H new ATOM 0 HD2 LYS A 555 29.089 6.014 0.476 1.00 2.71 H new ATOM 0 HD3 LYS A 555 27.517 5.304 0.168 1.00 2.71 H new ATOM 0 HE2 LYS A 555 28.320 4.646 2.387 1.00 2.99 H new ATOM 0 HE3 LYS A 555 28.188 3.240 1.350 1.00 2.99 H new ATOM 0 HZ1 LYS A 555 30.272 3.457 2.729 1.00 3.58 H new ATOM 0 HZ2 LYS A 555 30.498 3.132 1.078 1.00 3.58 H new ATOM 0 HZ3 LYS A 555 30.746 4.701 1.676 1.00 3.58 H new ATOM 738 N SER A 556 30.556 2.620 -3.279 1.00 2.91 N ATOM 739 CA SER A 556 31.716 1.753 -3.130 1.00 3.12 C ATOM 740 C SER A 556 32.497 1.667 -4.438 1.00 3.40 C ATOM 741 O SER A 556 31.925 1.436 -5.506 1.00 3.67 O ATOM 742 CB SER A 556 31.275 0.355 -2.686 1.00 2.84 C ATOM 743 OG SER A 556 32.389 -0.489 -2.451 1.00 3.07 O ATOM 0 H SER A 556 29.663 2.127 -3.299 1.00 2.91 H new ATOM 0 HA SER A 556 32.368 2.178 -2.367 1.00 3.12 H new ATOM 0 HB2 SER A 556 30.677 0.432 -1.778 1.00 2.84 H new ATOM 0 HB3 SER A 556 30.637 -0.087 -3.451 1.00 2.84 H new ATOM 0 HG SER A 556 32.075 -1.373 -2.168 1.00 3.07 H new ATOM 749 N LEU A 557 33.804 1.868 -4.348 1.00 3.70 N ATOM 750 CA LEU A 557 34.679 1.809 -5.509 1.00 4.05 C ATOM 751 C LEU A 557 36.104 1.518 -5.060 1.00 4.48 C ATOM 752 O LEU A 557 36.541 0.353 -5.166 1.00 4.98 O ATOM 753 CB LEU A 557 34.631 3.127 -6.291 1.00 4.73 C ATOM 754 CG LEU A 557 35.501 3.174 -7.552 1.00 5.04 C ATOM 755 CD1 LEU A 557 35.006 2.167 -8.580 1.00 5.74 C ATOM 756 CD2 LEU A 557 35.518 4.580 -8.132 1.00 5.35 C ATOM 757 OXT LEU A 557 36.768 2.449 -4.560 1.00 4.73 O ATOM 0 H LEU A 557 34.285 2.075 -3.473 1.00 3.70 H new ATOM 0 HA LEU A 557 34.337 1.010 -6.166 1.00 4.05 H new ATOM 0 HB2 LEU A 557 33.597 3.324 -6.575 1.00 4.73 H new ATOM 0 HB3 LEU A 557 34.938 3.935 -5.627 1.00 4.73 H new ATOM 0 HG LEU A 557 36.522 2.905 -7.281 1.00 5.04 H new ATOM 0 HD11 LEU A 557 35.636 2.215 -9.468 1.00 5.74 H new ATOM 0 HD12 LEU A 557 35.051 1.163 -8.157 1.00 5.74 H new ATOM 0 HD13 LEU A 557 33.977 2.401 -8.852 1.00 5.74 H new ATOM 0 HD21 LEU A 557 36.140 4.597 -9.027 1.00 5.35 H new ATOM 0 HD22 LEU A 557 34.502 4.879 -8.390 1.00 5.35 H new ATOM 0 HD23 LEU A 557 35.924 5.273 -7.395 1.00 5.35 H new TER 769 LEU A 557