USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 394 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 541 ASN : amide:sc= -0.186 K(o=-0.19,f=-1.5!) USER MOD Set 1.2: A 545 GLN : amide:sc= 0 X(o=-0.19,f=-0.19) USER MOD Set 2.1: A 526 THR OG1 : rot 170:sc= 0.376 USER MOD Set 2.2: A 530 LYS NZ :NH3+ 148:sc= 0.441 (180deg=-0.134) USER MOD Single : A 511 SER OG : rot 180:sc= 0 USER MOD Single : A 514 THR OG1 : rot -165:sc= -1.46! USER MOD Single : A 515 CYS SG : rot 180:sc= 0 USER MOD Single : A 516 MET CE :methyl 163:sc= 0 (180deg=-0.145) USER MOD Single : A 517 SER OG : rot 74:sc= 1.24 USER MOD Single : A 520 SER OG : rot -89:sc= 1.27 USER MOD Single : A 521 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 524 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0615) USER MOD Single : A 527 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 528 GLN : amide:sc=-0.00221 K(o=-0.0022,f=-0.76) USER MOD Single : A 532 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 533 THR OG1 : rot 69:sc= 1.26 USER MOD Single : A 538 THR OG1 : rot 98:sc= 1.25 USER MOD Single : A 540 GLN :FLIP amide:sc= -0.0886 F(o=-1.9,f=-0.089) USER MOD Single : A 542 GLN : amide:sc= -0.0555 X(o=-0.056,f=-0.066) USER MOD Single : A 544 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 550 GLN : amide:sc= -1.19 K(o=-1.2,f=-6.1!) USER MOD Single : A 551 LYS NZ :NH3+ -170:sc= 0.0707 (180deg=0.00597) USER MOD Single : A 552 SER OG : rot 180:sc= 0 USER MOD Single : A 555 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 556 SER OG : rot -43:sc= 0.28 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 510 -30.442 11.313 -3.098 1.00 9.10 N ATOM 2 CA GLY A 510 -30.619 11.371 -1.627 1.00 8.55 C ATOM 3 C GLY A 510 -31.565 10.304 -1.111 1.00 7.83 C ATOM 4 O GLY A 510 -32.481 10.594 -0.343 1.00 8.04 O ATOM 0 HA2 GLY A 510 -29.649 11.256 -1.143 1.00 8.55 H new ATOM 0 HA3 GLY A 510 -30.999 12.354 -1.349 1.00 8.55 H new ATOM 10 N SER A 511 -31.356 9.067 -1.537 1.00 7.22 N ATOM 11 CA SER A 511 -32.141 7.946 -1.046 1.00 6.73 C ATOM 12 C SER A 511 -31.240 7.005 -0.266 1.00 6.19 C ATOM 13 O SER A 511 -30.162 6.645 -0.726 1.00 5.90 O ATOM 14 CB SER A 511 -32.791 7.203 -2.210 1.00 6.95 C ATOM 15 OG SER A 511 -33.565 8.083 -3.008 1.00 7.47 O ATOM 0 H SER A 511 -30.646 8.814 -2.225 1.00 7.22 H new ATOM 0 HA SER A 511 -32.929 8.320 -0.392 1.00 6.73 H new ATOM 0 HB2 SER A 511 -32.020 6.734 -2.822 1.00 6.95 H new ATOM 0 HB3 SER A 511 -33.424 6.403 -1.827 1.00 6.95 H new ATOM 0 HG SER A 511 -33.969 7.583 -3.748 1.00 7.47 H new ATOM 21 N VAL A 512 -31.689 6.613 0.917 1.00 6.20 N ATOM 22 CA VAL A 512 -30.886 5.794 1.814 1.00 5.78 C ATOM 23 C VAL A 512 -30.685 4.392 1.251 1.00 5.49 C ATOM 24 O VAL A 512 -29.640 3.777 1.461 1.00 5.11 O ATOM 25 CB VAL A 512 -31.530 5.684 3.207 1.00 6.06 C ATOM 26 CG1 VAL A 512 -30.513 5.176 4.208 1.00 5.88 C ATOM 27 CG2 VAL A 512 -32.098 7.023 3.650 1.00 6.40 C ATOM 0 H VAL A 512 -32.612 6.851 1.280 1.00 6.20 H new ATOM 0 HA VAL A 512 -29.919 6.289 1.906 1.00 5.78 H new ATOM 0 HB VAL A 512 -32.355 4.974 3.153 1.00 6.06 H new ATOM 0 HG11 VAL A 512 -30.977 5.101 5.192 1.00 5.88 H new ATOM 0 HG12 VAL A 512 -30.157 4.193 3.899 1.00 5.88 H new ATOM 0 HG13 VAL A 512 -29.672 5.868 4.255 1.00 5.88 H new ATOM 0 HG21 VAL A 512 -32.548 6.919 4.637 1.00 6.40 H new ATOM 0 HG22 VAL A 512 -31.298 7.762 3.692 1.00 6.40 H new ATOM 0 HG23 VAL A 512 -32.857 7.350 2.939 1.00 6.40 H new ATOM 37 N GLU A 513 -31.686 3.897 0.534 1.00 5.73 N ATOM 38 CA GLU A 513 -31.632 2.570 -0.048 1.00 5.58 C ATOM 39 C GLU A 513 -30.470 2.458 -1.018 1.00 5.26 C ATOM 40 O GLU A 513 -29.647 1.546 -0.935 1.00 4.95 O ATOM 41 CB GLU A 513 -32.912 2.293 -0.813 1.00 6.03 C ATOM 42 CG GLU A 513 -34.186 2.266 0.015 1.00 6.54 C ATOM 43 CD GLU A 513 -34.530 3.587 0.672 1.00 7.02 C ATOM 44 OE1 GLU A 513 -34.898 4.536 -0.050 1.00 7.27 O ATOM 45 OE2 GLU A 513 -34.439 3.682 1.913 1.00 7.40 O ATOM 0 H GLU A 513 -32.551 4.403 0.343 1.00 5.73 H new ATOM 0 HA GLU A 513 -31.506 1.851 0.762 1.00 5.58 H new ATOM 0 HB2 GLU A 513 -33.021 3.052 -1.588 1.00 6.03 H new ATOM 0 HB3 GLU A 513 -32.810 1.333 -1.319 1.00 6.03 H new ATOM 0 HG2 GLU A 513 -35.015 1.965 -0.625 1.00 6.54 H new ATOM 0 HG3 GLU A 513 -34.087 1.504 0.788 1.00 6.54 H new ATOM 52 N THR A 514 -30.413 3.414 -1.923 1.00 5.38 N ATOM 53 CA THR A 514 -29.349 3.478 -2.910 1.00 5.15 C ATOM 54 C THR A 514 -28.033 3.932 -2.281 1.00 4.74 C ATOM 55 O THR A 514 -26.983 3.354 -2.549 1.00 4.68 O ATOM 56 CB THR A 514 -29.730 4.419 -4.066 1.00 5.39 C ATOM 57 OG1 THR A 514 -30.340 5.607 -3.542 1.00 5.70 O ATOM 58 CG2 THR A 514 -30.687 3.733 -5.031 1.00 5.67 C ATOM 0 H THR A 514 -31.098 4.166 -1.997 1.00 5.38 H new ATOM 0 HA THR A 514 -29.211 2.472 -3.305 1.00 5.15 H new ATOM 0 HB THR A 514 -28.823 4.683 -4.609 1.00 5.39 H new ATOM 0 HG1 THR A 514 -30.791 6.090 -4.266 1.00 5.70 H new ATOM 0 HG21 THR A 514 -30.942 4.418 -5.839 1.00 5.67 H new ATOM 0 HG22 THR A 514 -30.211 2.844 -5.445 1.00 5.67 H new ATOM 0 HG23 THR A 514 -31.594 3.445 -4.500 1.00 5.67 H new ATOM 66 N CYS A 515 -28.106 4.951 -1.427 1.00 4.56 N ATOM 67 CA CYS A 515 -26.923 5.495 -0.762 1.00 4.21 C ATOM 68 C CYS A 515 -26.174 4.416 0.008 1.00 3.93 C ATOM 69 O CYS A 515 -24.970 4.259 -0.153 1.00 3.56 O ATOM 70 CB CYS A 515 -27.312 6.637 0.179 1.00 4.40 C ATOM 71 SG CYS A 515 -25.940 7.338 1.124 1.00 4.96 S ATOM 0 H CYS A 515 -28.977 5.419 -1.178 1.00 4.56 H new ATOM 0 HA CYS A 515 -26.260 5.883 -1.535 1.00 4.21 H new ATOM 0 HB2 CYS A 515 -27.775 7.431 -0.407 1.00 4.40 H new ATOM 0 HB3 CYS A 515 -28.067 6.274 0.876 1.00 4.40 H new ATOM 0 HG CYS A 515 -26.381 8.296 1.884 1.00 4.96 H new ATOM 77 N MET A 516 -26.883 3.659 0.832 1.00 4.13 N ATOM 78 CA MET A 516 -26.244 2.600 1.600 1.00 3.95 C ATOM 79 C MET A 516 -25.658 1.538 0.680 1.00 3.70 C ATOM 80 O MET A 516 -24.623 0.951 0.987 1.00 3.40 O ATOM 81 CB MET A 516 -27.212 1.974 2.602 1.00 4.28 C ATOM 82 CG MET A 516 -27.421 2.826 3.843 1.00 4.27 C ATOM 83 SD MET A 516 -28.389 1.987 5.112 1.00 4.83 S ATOM 84 CE MET A 516 -28.352 3.202 6.433 1.00 5.80 C ATOM 0 H MET A 516 -27.887 3.755 0.985 1.00 4.13 H new ATOM 0 HA MET A 516 -25.428 3.051 2.165 1.00 3.95 H new ATOM 0 HB2 MET A 516 -28.173 1.810 2.115 1.00 4.28 H new ATOM 0 HB3 MET A 516 -26.835 0.996 2.900 1.00 4.28 H new ATOM 0 HG2 MET A 516 -26.451 3.102 4.256 1.00 4.27 H new ATOM 0 HG3 MET A 516 -27.923 3.752 3.562 1.00 4.27 H new ATOM 0 HE1 MET A 516 -29.137 2.978 7.156 1.00 5.80 H new ATOM 0 HE2 MET A 516 -27.382 3.171 6.929 1.00 5.80 H new ATOM 0 HE3 MET A 516 -28.515 4.196 6.017 1.00 5.80 H new ATOM 94 N SER A 517 -26.310 1.303 -0.455 1.00 3.87 N ATOM 95 CA SER A 517 -25.831 0.319 -1.414 1.00 3.73 C ATOM 96 C SER A 517 -24.538 0.787 -2.089 1.00 3.38 C ATOM 97 O SER A 517 -23.559 0.038 -2.148 1.00 3.11 O ATOM 98 CB SER A 517 -26.906 0.043 -2.469 1.00 4.09 C ATOM 99 OG SER A 517 -28.106 -0.428 -1.870 1.00 4.52 O ATOM 0 H SER A 517 -27.168 1.780 -0.730 1.00 3.87 H new ATOM 0 HA SER A 517 -25.616 -0.602 -0.873 1.00 3.73 H new ATOM 0 HB2 SER A 517 -27.110 0.955 -3.031 1.00 4.09 H new ATOM 0 HB3 SER A 517 -26.538 -0.695 -3.182 1.00 4.09 H new ATOM 0 HG SER A 517 -28.560 0.314 -1.419 1.00 4.52 H new ATOM 105 N LEU A 518 -24.521 2.024 -2.575 1.00 3.41 N ATOM 106 CA LEU A 518 -23.328 2.560 -3.208 1.00 3.15 C ATOM 107 C LEU A 518 -22.202 2.757 -2.201 1.00 2.83 C ATOM 108 O LEU A 518 -21.050 2.429 -2.479 1.00 2.54 O ATOM 109 CB LEU A 518 -23.619 3.855 -3.994 1.00 3.32 C ATOM 110 CG LEU A 518 -24.486 4.932 -3.314 1.00 3.52 C ATOM 111 CD1 LEU A 518 -23.664 5.821 -2.392 1.00 3.34 C ATOM 112 CD2 LEU A 518 -25.188 5.779 -4.363 1.00 3.86 C ATOM 0 H LEU A 518 -25.313 2.666 -2.542 1.00 3.41 H new ATOM 0 HA LEU A 518 -22.994 1.819 -3.934 1.00 3.15 H new ATOM 0 HB2 LEU A 518 -22.663 4.310 -4.254 1.00 3.32 H new ATOM 0 HB3 LEU A 518 -24.104 3.576 -4.929 1.00 3.32 H new ATOM 0 HG LEU A 518 -25.230 4.419 -2.704 1.00 3.52 H new ATOM 0 HD11 LEU A 518 -24.313 6.567 -1.932 1.00 3.34 H new ATOM 0 HD12 LEU A 518 -23.204 5.212 -1.614 1.00 3.34 H new ATOM 0 HD13 LEU A 518 -22.886 6.322 -2.968 1.00 3.34 H new ATOM 0 HD21 LEU A 518 -25.798 6.537 -3.871 1.00 3.86 H new ATOM 0 HD22 LEU A 518 -24.445 6.266 -4.995 1.00 3.86 H new ATOM 0 HD23 LEU A 518 -25.826 5.143 -4.977 1.00 3.86 H new ATOM 124 N ALA A 519 -22.547 3.264 -1.026 1.00 2.92 N ATOM 125 CA ALA A 519 -21.566 3.527 0.018 1.00 2.71 C ATOM 126 C ALA A 519 -20.879 2.245 0.474 1.00 2.50 C ATOM 127 O ALA A 519 -19.662 2.220 0.647 1.00 2.24 O ATOM 128 CB ALA A 519 -22.220 4.220 1.199 1.00 2.96 C ATOM 0 H ALA A 519 -23.505 3.503 -0.771 1.00 2.92 H new ATOM 0 HA ALA A 519 -20.805 4.185 -0.402 1.00 2.71 H new ATOM 0 HB1 ALA A 519 -21.473 4.409 1.970 1.00 2.96 H new ATOM 0 HB2 ALA A 519 -22.652 5.166 0.872 1.00 2.96 H new ATOM 0 HB3 ALA A 519 -23.006 3.583 1.605 1.00 2.96 H new ATOM 134 N SER A 520 -21.651 1.179 0.655 1.00 2.66 N ATOM 135 CA SER A 520 -21.089 -0.091 1.091 1.00 2.54 C ATOM 136 C SER A 520 -20.178 -0.676 0.017 1.00 2.31 C ATOM 137 O SER A 520 -19.117 -1.216 0.329 1.00 2.10 O ATOM 138 CB SER A 520 -22.197 -1.077 1.464 1.00 2.83 C ATOM 139 OG SER A 520 -23.164 -1.186 0.434 1.00 2.98 O ATOM 0 H SER A 520 -22.660 1.170 0.507 1.00 2.66 H new ATOM 0 HA SER A 520 -20.488 0.092 1.982 1.00 2.54 H new ATOM 0 HB2 SER A 520 -21.762 -2.057 1.661 1.00 2.83 H new ATOM 0 HB3 SER A 520 -22.680 -0.751 2.385 1.00 2.83 H new ATOM 0 HG SER A 520 -23.862 -0.512 0.568 1.00 2.98 H new ATOM 145 N GLN A 521 -20.572 -0.543 -1.248 1.00 2.40 N ATOM 146 CA GLN A 521 -19.730 -1.003 -2.343 1.00 2.26 C ATOM 147 C GLN A 521 -18.417 -0.226 -2.350 1.00 1.95 C ATOM 148 O GLN A 521 -17.338 -0.814 -2.404 1.00 1.75 O ATOM 149 CB GLN A 521 -20.442 -0.859 -3.688 1.00 2.49 C ATOM 150 CG GLN A 521 -19.581 -1.271 -4.867 1.00 2.84 C ATOM 151 CD GLN A 521 -20.346 -1.317 -6.173 1.00 3.23 C ATOM 152 OE1 GLN A 521 -20.425 -0.326 -6.899 1.00 3.85 O ATOM 153 NE2 GLN A 521 -20.905 -2.474 -6.483 1.00 3.40 N ATOM 0 H GLN A 521 -21.457 -0.126 -1.535 1.00 2.40 H new ATOM 0 HA GLN A 521 -19.519 -2.061 -2.191 1.00 2.26 H new ATOM 0 HB2 GLN A 521 -21.348 -1.465 -3.679 1.00 2.49 H new ATOM 0 HB3 GLN A 521 -20.753 0.178 -3.818 1.00 2.49 H new ATOM 0 HG2 GLN A 521 -18.750 -0.573 -4.964 1.00 2.84 H new ATOM 0 HG3 GLN A 521 -19.151 -2.253 -4.670 1.00 2.84 H new ATOM 0 HE21 GLN A 521 -20.814 -3.270 -5.851 1.00 3.40 H new ATOM 0 HE22 GLN A 521 -21.427 -2.571 -7.354 1.00 3.40 H new ATOM 162 N VAL A 522 -18.523 1.096 -2.251 1.00 1.94 N ATOM 163 CA VAL A 522 -17.353 1.966 -2.175 1.00 1.71 C ATOM 164 C VAL A 522 -16.485 1.599 -0.974 1.00 1.52 C ATOM 165 O VAL A 522 -15.260 1.618 -1.054 1.00 1.28 O ATOM 166 CB VAL A 522 -17.757 3.459 -2.092 1.00 1.86 C ATOM 167 CG1 VAL A 522 -16.539 4.346 -1.874 1.00 1.69 C ATOM 168 CG2 VAL A 522 -18.500 3.885 -3.351 1.00 2.07 C ATOM 0 H VAL A 522 -19.414 1.591 -2.221 1.00 1.94 H new ATOM 0 HA VAL A 522 -16.780 1.818 -3.090 1.00 1.71 H new ATOM 0 HB VAL A 522 -18.422 3.577 -1.236 1.00 1.86 H new ATOM 0 HG11 VAL A 522 -16.853 5.388 -1.820 1.00 1.69 H new ATOM 0 HG12 VAL A 522 -16.047 4.066 -0.942 1.00 1.69 H new ATOM 0 HG13 VAL A 522 -15.843 4.219 -2.704 1.00 1.69 H new ATOM 0 HG21 VAL A 522 -18.775 4.937 -3.273 1.00 2.07 H new ATOM 0 HG22 VAL A 522 -17.857 3.742 -4.219 1.00 2.07 H new ATOM 0 HG23 VAL A 522 -19.401 3.282 -3.463 1.00 2.07 H new ATOM 178 N VAL A 523 -17.130 1.259 0.135 1.00 1.66 N ATOM 179 CA VAL A 523 -16.434 0.864 1.347 1.00 1.58 C ATOM 180 C VAL A 523 -15.573 -0.380 1.109 1.00 1.41 C ATOM 181 O VAL A 523 -14.445 -0.460 1.594 1.00 1.24 O ATOM 182 CB VAL A 523 -17.443 0.636 2.500 1.00 1.85 C ATOM 183 CG1 VAL A 523 -16.944 -0.400 3.488 1.00 1.86 C ATOM 184 CG2 VAL A 523 -17.732 1.950 3.207 1.00 1.98 C ATOM 0 H VAL A 523 -18.147 1.250 0.217 1.00 1.66 H new ATOM 0 HA VAL A 523 -15.764 1.674 1.636 1.00 1.58 H new ATOM 0 HB VAL A 523 -18.366 0.253 2.065 1.00 1.85 H new ATOM 0 HG11 VAL A 523 -17.680 -0.531 4.281 1.00 1.86 H new ATOM 0 HG12 VAL A 523 -16.792 -1.349 2.974 1.00 1.86 H new ATOM 0 HG13 VAL A 523 -16.001 -0.066 3.920 1.00 1.86 H new ATOM 0 HG21 VAL A 523 -18.442 1.779 4.016 1.00 1.98 H new ATOM 0 HG22 VAL A 523 -16.806 2.354 3.616 1.00 1.98 H new ATOM 0 HG23 VAL A 523 -18.155 2.660 2.496 1.00 1.98 H new ATOM 194 N LYS A 524 -16.085 -1.336 0.347 1.00 1.52 N ATOM 195 CA LYS A 524 -15.300 -2.512 -0.002 1.00 1.44 C ATOM 196 C LYS A 524 -14.143 -2.135 -0.927 1.00 1.21 C ATOM 197 O LYS A 524 -13.033 -2.658 -0.793 1.00 1.07 O ATOM 198 CB LYS A 524 -16.175 -3.594 -0.643 1.00 1.69 C ATOM 199 CG LYS A 524 -16.808 -4.539 0.368 1.00 1.91 C ATOM 200 CD LYS A 524 -17.870 -3.845 1.196 1.00 2.09 C ATOM 201 CE LYS A 524 -18.271 -4.669 2.409 1.00 2.33 C ATOM 202 NZ LYS A 524 -18.724 -6.034 2.037 1.00 2.48 N ATOM 0 H LYS A 524 -17.030 -1.322 -0.038 1.00 1.52 H new ATOM 0 HA LYS A 524 -14.885 -2.921 0.919 1.00 1.44 H new ATOM 0 HB2 LYS A 524 -16.963 -3.116 -1.225 1.00 1.69 H new ATOM 0 HB3 LYS A 524 -15.570 -4.173 -1.341 1.00 1.69 H new ATOM 0 HG2 LYS A 524 -17.251 -5.387 -0.154 1.00 1.91 H new ATOM 0 HG3 LYS A 524 -16.036 -4.938 1.026 1.00 1.91 H new ATOM 0 HD2 LYS A 524 -17.498 -2.874 1.523 1.00 2.09 H new ATOM 0 HD3 LYS A 524 -18.748 -3.658 0.578 1.00 2.09 H new ATOM 0 HE2 LYS A 524 -17.424 -4.743 3.092 1.00 2.33 H new ATOM 0 HE3 LYS A 524 -19.070 -4.157 2.946 1.00 2.33 H new ATOM 0 HZ1 LYS A 524 -19.144 -6.498 2.867 1.00 2.48 H new ATOM 0 HZ2 LYS A 524 -19.434 -5.970 1.280 1.00 2.48 H new ATOM 0 HZ3 LYS A 524 -17.911 -6.591 1.704 1.00 2.48 H new ATOM 216 N LEU A 525 -14.397 -1.212 -1.850 1.00 1.21 N ATOM 217 CA LEU A 525 -13.354 -0.735 -2.754 1.00 1.06 C ATOM 218 C LEU A 525 -12.269 0.001 -1.982 1.00 0.82 C ATOM 219 O LEU A 525 -11.081 -0.275 -2.148 1.00 0.67 O ATOM 220 CB LEU A 525 -13.929 0.186 -3.836 1.00 1.19 C ATOM 221 CG LEU A 525 -14.444 -0.517 -5.096 1.00 1.42 C ATOM 222 CD1 LEU A 525 -15.624 -1.415 -4.780 1.00 1.62 C ATOM 223 CD2 LEU A 525 -14.831 0.506 -6.149 1.00 1.56 C ATOM 0 H LEU A 525 -15.311 -0.781 -1.992 1.00 1.21 H new ATOM 0 HA LEU A 525 -12.920 -1.609 -3.239 1.00 1.06 H new ATOM 0 HB2 LEU A 525 -14.747 0.761 -3.402 1.00 1.19 H new ATOM 0 HB3 LEU A 525 -13.158 0.899 -4.128 1.00 1.19 H new ATOM 0 HG LEU A 525 -13.639 -1.141 -5.485 1.00 1.42 H new ATOM 0 HD11 LEU A 525 -15.967 -1.900 -5.694 1.00 1.62 H new ATOM 0 HD12 LEU A 525 -15.321 -2.174 -4.058 1.00 1.62 H new ATOM 0 HD13 LEU A 525 -16.433 -0.818 -4.360 1.00 1.62 H new ATOM 0 HD21 LEU A 525 -15.195 -0.008 -7.039 1.00 1.56 H new ATOM 0 HD22 LEU A 525 -15.616 1.153 -5.757 1.00 1.56 H new ATOM 0 HD23 LEU A 525 -13.960 1.108 -6.409 1.00 1.56 H new ATOM 235 N THR A 526 -12.682 0.919 -1.118 1.00 0.84 N ATOM 236 CA THR A 526 -11.742 1.717 -0.346 1.00 0.73 C ATOM 237 C THR A 526 -10.969 0.837 0.638 1.00 0.62 C ATOM 238 O THR A 526 -9.805 1.098 0.929 1.00 0.52 O ATOM 239 CB THR A 526 -12.437 2.891 0.398 1.00 0.91 C ATOM 240 OG1 THR A 526 -11.453 3.810 0.889 1.00 1.14 O ATOM 241 CG2 THR A 526 -13.289 2.407 1.562 1.00 1.40 C ATOM 0 H THR A 526 -13.663 1.129 -0.935 1.00 0.84 H new ATOM 0 HA THR A 526 -11.039 2.157 -1.053 1.00 0.73 H new ATOM 0 HB THR A 526 -13.092 3.385 -0.320 1.00 0.91 H new ATOM 0 HG1 THR A 526 -11.896 4.622 1.212 1.00 1.14 H new ATOM 0 HG21 THR A 526 -13.755 3.262 2.052 1.00 1.40 H new ATOM 0 HG22 THR A 526 -14.063 1.735 1.192 1.00 1.40 H new ATOM 0 HG23 THR A 526 -12.660 1.877 2.277 1.00 1.40 H new ATOM 249 N LYS A 527 -11.621 -0.210 1.136 1.00 0.72 N ATOM 250 CA LYS A 527 -10.976 -1.168 2.024 1.00 0.71 C ATOM 251 C LYS A 527 -9.794 -1.820 1.314 1.00 0.55 C ATOM 252 O LYS A 527 -8.690 -1.894 1.856 1.00 0.47 O ATOM 253 CB LYS A 527 -11.983 -2.234 2.469 1.00 0.91 C ATOM 254 CG LYS A 527 -11.401 -3.276 3.407 1.00 1.04 C ATOM 255 CD LYS A 527 -10.964 -2.663 4.727 1.00 1.12 C ATOM 256 CE LYS A 527 -12.139 -2.094 5.504 1.00 1.24 C ATOM 257 NZ LYS A 527 -11.707 -1.492 6.793 1.00 1.60 N ATOM 0 H LYS A 527 -12.600 -0.416 0.937 1.00 0.72 H new ATOM 0 HA LYS A 527 -10.610 -0.644 2.907 1.00 0.71 H new ATOM 0 HB2 LYS A 527 -12.822 -1.744 2.962 1.00 0.91 H new ATOM 0 HB3 LYS A 527 -12.381 -2.735 1.586 1.00 0.91 H new ATOM 0 HG2 LYS A 527 -12.143 -4.052 3.594 1.00 1.04 H new ATOM 0 HG3 LYS A 527 -10.548 -3.759 2.930 1.00 1.04 H new ATOM 0 HD2 LYS A 527 -10.462 -3.420 5.330 1.00 1.12 H new ATOM 0 HD3 LYS A 527 -10.237 -1.873 4.537 1.00 1.12 H new ATOM 0 HE2 LYS A 527 -12.643 -1.339 4.901 1.00 1.24 H new ATOM 0 HE3 LYS A 527 -12.865 -2.884 5.697 1.00 1.24 H new ATOM 0 HZ1 LYS A 527 -12.536 -1.114 7.295 1.00 1.60 H new ATOM 0 HZ2 LYS A 527 -11.249 -2.219 7.379 1.00 1.60 H new ATOM 0 HZ3 LYS A 527 -11.034 -0.721 6.608 1.00 1.60 H new ATOM 271 N GLN A 528 -10.031 -2.262 0.084 1.00 0.59 N ATOM 272 CA GLN A 528 -8.993 -2.892 -0.719 1.00 0.55 C ATOM 273 C GLN A 528 -7.904 -1.873 -1.047 1.00 0.40 C ATOM 274 O GLN A 528 -6.718 -2.177 -0.968 1.00 0.37 O ATOM 275 CB GLN A 528 -9.596 -3.474 -2.006 1.00 0.75 C ATOM 276 CG GLN A 528 -8.978 -4.799 -2.441 1.00 1.38 C ATOM 277 CD GLN A 528 -7.541 -4.675 -2.919 1.00 1.87 C ATOM 278 OE1 GLN A 528 -7.145 -3.663 -3.494 1.00 2.56 O ATOM 279 NE2 GLN A 528 -6.751 -5.712 -2.686 1.00 2.33 N ATOM 0 H GLN A 528 -10.937 -2.195 -0.379 1.00 0.59 H new ATOM 0 HA GLN A 528 -8.548 -3.709 -0.151 1.00 0.55 H new ATOM 0 HB2 GLN A 528 -10.667 -3.616 -1.861 1.00 0.75 H new ATOM 0 HB3 GLN A 528 -9.477 -2.748 -2.811 1.00 0.75 H new ATOM 0 HG2 GLN A 528 -9.015 -5.498 -1.606 1.00 1.38 H new ATOM 0 HG3 GLN A 528 -9.582 -5.226 -3.241 1.00 1.38 H new ATOM 0 HE21 GLN A 528 -7.117 -6.534 -2.206 1.00 2.33 H new ATOM 0 HE22 GLN A 528 -5.777 -5.689 -2.987 1.00 2.33 H new ATOM 288 N LEU A 529 -8.320 -0.655 -1.387 1.00 0.37 N ATOM 289 CA LEU A 529 -7.386 0.422 -1.719 1.00 0.33 C ATOM 290 C LEU A 529 -6.478 0.748 -0.541 1.00 0.22 C ATOM 291 O LEU A 529 -5.269 0.901 -0.701 1.00 0.26 O ATOM 292 CB LEU A 529 -8.153 1.680 -2.114 1.00 0.43 C ATOM 293 CG LEU A 529 -8.992 1.568 -3.381 1.00 0.58 C ATOM 294 CD1 LEU A 529 -9.824 2.821 -3.544 1.00 0.67 C ATOM 295 CD2 LEU A 529 -8.108 1.346 -4.599 1.00 0.69 C ATOM 0 H LEU A 529 -9.303 -0.387 -1.440 1.00 0.37 H new ATOM 0 HA LEU A 529 -6.773 0.081 -2.553 1.00 0.33 H new ATOM 0 HB2 LEU A 529 -8.809 1.959 -1.289 1.00 0.43 H new ATOM 0 HB3 LEU A 529 -7.439 2.494 -2.243 1.00 0.43 H new ATOM 0 HG LEU A 529 -9.655 0.707 -3.293 1.00 0.58 H new ATOM 0 HD11 LEU A 529 -10.425 2.743 -4.450 1.00 0.67 H new ATOM 0 HD12 LEU A 529 -10.481 2.937 -2.682 1.00 0.67 H new ATOM 0 HD13 LEU A 529 -9.167 3.687 -3.618 1.00 0.67 H new ATOM 0 HD21 LEU A 529 -8.730 1.269 -5.491 1.00 0.69 H new ATOM 0 HD22 LEU A 529 -7.420 2.185 -4.707 1.00 0.69 H new ATOM 0 HD23 LEU A 529 -7.539 0.425 -4.473 1.00 0.69 H new ATOM 307 N LYS A 530 -7.068 0.856 0.640 1.00 0.23 N ATOM 308 CA LYS A 530 -6.307 1.123 1.855 1.00 0.30 C ATOM 309 C LYS A 530 -5.320 -0.003 2.147 1.00 0.24 C ATOM 310 O LYS A 530 -4.172 0.256 2.512 1.00 0.29 O ATOM 311 CB LYS A 530 -7.242 1.342 3.045 1.00 0.47 C ATOM 312 CG LYS A 530 -7.903 2.710 3.041 1.00 1.14 C ATOM 313 CD LYS A 530 -8.843 2.884 4.219 1.00 1.72 C ATOM 314 CE LYS A 530 -9.363 4.310 4.318 1.00 2.36 C ATOM 315 NZ LYS A 530 -10.040 4.750 3.069 1.00 2.78 N ATOM 0 H LYS A 530 -8.073 0.763 0.785 1.00 0.23 H new ATOM 0 HA LYS A 530 -5.736 2.037 1.695 1.00 0.30 H new ATOM 0 HB2 LYS A 530 -8.014 0.572 3.039 1.00 0.47 H new ATOM 0 HB3 LYS A 530 -6.678 1.221 3.970 1.00 0.47 H new ATOM 0 HG2 LYS A 530 -7.136 3.484 3.070 1.00 1.14 H new ATOM 0 HG3 LYS A 530 -8.456 2.844 2.111 1.00 1.14 H new ATOM 0 HD2 LYS A 530 -9.683 2.197 4.119 1.00 1.72 H new ATOM 0 HD3 LYS A 530 -8.324 2.621 5.141 1.00 1.72 H new ATOM 0 HE2 LYS A 530 -10.061 4.383 5.152 1.00 2.36 H new ATOM 0 HE3 LYS A 530 -8.534 4.983 4.536 1.00 2.36 H new ATOM 0 HZ1 LYS A 530 -10.803 5.416 3.304 1.00 2.78 H new ATOM 0 HZ2 LYS A 530 -9.351 5.218 2.447 1.00 2.78 H new ATOM 0 HZ3 LYS A 530 -10.440 3.923 2.581 1.00 2.78 H new ATOM 329 N GLU A 531 -5.754 -1.249 1.977 1.00 0.21 N ATOM 330 CA GLU A 531 -4.850 -2.385 2.136 1.00 0.26 C ATOM 331 C GLU A 531 -3.766 -2.353 1.065 1.00 0.23 C ATOM 332 O GLU A 531 -2.609 -2.672 1.331 1.00 0.26 O ATOM 333 CB GLU A 531 -5.604 -3.713 2.085 1.00 0.37 C ATOM 334 CG GLU A 531 -6.435 -3.987 3.326 1.00 0.50 C ATOM 335 CD GLU A 531 -6.865 -5.435 3.420 1.00 0.68 C ATOM 336 OE1 GLU A 531 -6.174 -6.308 2.850 1.00 1.00 O ATOM 337 OE2 GLU A 531 -7.908 -5.707 4.052 1.00 0.98 O ATOM 0 H GLU A 531 -6.713 -1.496 1.732 1.00 0.21 H new ATOM 0 HA GLU A 531 -4.384 -2.303 3.118 1.00 0.26 H new ATOM 0 HB2 GLU A 531 -6.257 -3.717 1.212 1.00 0.37 H new ATOM 0 HB3 GLU A 531 -4.887 -4.523 1.951 1.00 0.37 H new ATOM 0 HG2 GLU A 531 -5.858 -3.723 4.212 1.00 0.50 H new ATOM 0 HG3 GLU A 531 -7.318 -3.348 3.318 1.00 0.50 H new ATOM 344 N GLN A 532 -4.147 -1.948 -0.139 1.00 0.23 N ATOM 345 CA GLN A 532 -3.202 -1.772 -1.232 1.00 0.32 C ATOM 346 C GLN A 532 -2.177 -0.698 -0.873 1.00 0.33 C ATOM 347 O GLN A 532 -0.995 -0.825 -1.189 1.00 0.41 O ATOM 348 CB GLN A 532 -3.950 -1.389 -2.513 1.00 0.40 C ATOM 349 CG GLN A 532 -3.050 -1.097 -3.702 1.00 0.97 C ATOM 350 CD GLN A 532 -3.838 -0.682 -4.929 1.00 1.51 C ATOM 351 OE1 GLN A 532 -4.106 0.502 -5.142 1.00 2.20 O ATOM 352 NE2 GLN A 532 -4.215 -1.651 -5.746 1.00 2.06 N ATOM 0 H GLN A 532 -5.114 -1.734 -0.384 1.00 0.23 H new ATOM 0 HA GLN A 532 -2.676 -2.711 -1.401 1.00 0.32 H new ATOM 0 HB2 GLN A 532 -4.630 -2.198 -2.778 1.00 0.40 H new ATOM 0 HB3 GLN A 532 -4.563 -0.510 -2.312 1.00 0.40 H new ATOM 0 HG2 GLN A 532 -2.348 -0.306 -3.438 1.00 0.97 H new ATOM 0 HG3 GLN A 532 -2.459 -1.983 -3.934 1.00 0.97 H new ATOM 0 HE21 GLN A 532 -3.973 -2.619 -5.535 1.00 2.06 H new ATOM 0 HE22 GLN A 532 -4.747 -1.430 -6.588 1.00 2.06 H new ATOM 361 N THR A 533 -2.638 0.341 -0.192 1.00 0.29 N ATOM 362 CA THR A 533 -1.776 1.439 0.216 1.00 0.36 C ATOM 363 C THR A 533 -0.790 0.993 1.299 1.00 0.35 C ATOM 364 O THR A 533 0.412 1.237 1.185 1.00 0.41 O ATOM 365 CB THR A 533 -2.605 2.631 0.743 1.00 0.41 C ATOM 366 OG1 THR A 533 -3.637 2.973 -0.197 1.00 0.45 O ATOM 367 CG2 THR A 533 -1.716 3.845 0.984 1.00 0.53 C ATOM 0 H THR A 533 -3.612 0.446 0.091 1.00 0.29 H new ATOM 0 HA THR A 533 -1.219 1.754 -0.666 1.00 0.36 H new ATOM 0 HB THR A 533 -3.059 2.334 1.688 1.00 0.41 H new ATOM 0 HG1 THR A 533 -4.306 2.258 -0.223 1.00 0.45 H new ATOM 0 HG21 THR A 533 -2.322 4.672 1.355 1.00 0.53 H new ATOM 0 HG22 THR A 533 -0.952 3.596 1.721 1.00 0.53 H new ATOM 0 HG23 THR A 533 -1.237 4.137 0.049 1.00 0.53 H new ATOM 375 N VAL A 534 -1.290 0.316 2.333 1.00 0.29 N ATOM 376 CA VAL A 534 -0.447 -0.083 3.460 1.00 0.32 C ATOM 377 C VAL A 534 0.631 -1.081 3.038 1.00 0.32 C ATOM 378 O VAL A 534 1.766 -1.008 3.505 1.00 0.35 O ATOM 379 CB VAL A 534 -1.260 -0.648 4.652 1.00 0.32 C ATOM 380 CG1 VAL A 534 -2.162 0.429 5.235 1.00 0.36 C ATOM 381 CG2 VAL A 534 -2.079 -1.861 4.244 1.00 0.28 C ATOM 0 H VAL A 534 -2.267 0.034 2.414 1.00 0.29 H new ATOM 0 HA VAL A 534 0.039 0.831 3.800 1.00 0.32 H new ATOM 0 HB VAL A 534 -0.551 -0.968 5.416 1.00 0.32 H new ATOM 0 HG11 VAL A 534 -2.727 0.017 6.071 1.00 0.36 H new ATOM 0 HG12 VAL A 534 -1.554 1.264 5.584 1.00 0.36 H new ATOM 0 HG13 VAL A 534 -2.853 0.779 4.468 1.00 0.36 H new ATOM 0 HG21 VAL A 534 -2.636 -2.230 5.105 1.00 0.28 H new ATOM 0 HG22 VAL A 534 -2.776 -1.581 3.454 1.00 0.28 H new ATOM 0 HG23 VAL A 534 -1.413 -2.644 3.880 1.00 0.28 H new ATOM 391 N GLU A 535 0.285 -2.010 2.155 1.00 0.29 N ATOM 392 CA GLU A 535 1.266 -2.962 1.656 1.00 0.32 C ATOM 393 C GLU A 535 2.246 -2.268 0.716 1.00 0.36 C ATOM 394 O GLU A 535 3.424 -2.614 0.673 1.00 0.39 O ATOM 395 CB GLU A 535 0.585 -4.135 0.946 1.00 0.34 C ATOM 396 CG GLU A 535 -0.237 -3.727 -0.261 1.00 0.36 C ATOM 397 CD GLU A 535 -0.786 -4.906 -1.035 1.00 0.54 C ATOM 398 OE1 GLU A 535 -1.719 -5.567 -0.540 1.00 0.81 O ATOM 399 OE2 GLU A 535 -0.282 -5.178 -2.146 1.00 0.69 O ATOM 0 H GLU A 535 -0.655 -2.123 1.775 1.00 0.29 H new ATOM 0 HA GLU A 535 1.817 -3.359 2.509 1.00 0.32 H new ATOM 0 HB2 GLU A 535 1.347 -4.848 0.631 1.00 0.34 H new ATOM 0 HB3 GLU A 535 -0.061 -4.652 1.656 1.00 0.34 H new ATOM 0 HG2 GLU A 535 -1.065 -3.099 0.067 1.00 0.36 H new ATOM 0 HG3 GLU A 535 0.380 -3.121 -0.924 1.00 0.36 H new ATOM 406 N ARG A 536 1.757 -1.274 -0.018 1.00 0.38 N ATOM 407 CA ARG A 536 2.590 -0.515 -0.940 1.00 0.44 C ATOM 408 C ARG A 536 3.621 0.318 -0.188 1.00 0.46 C ATOM 409 O ARG A 536 4.799 0.303 -0.535 1.00 0.49 O ATOM 410 CB ARG A 536 1.718 0.365 -1.841 1.00 0.49 C ATOM 411 CG ARG A 536 2.500 1.326 -2.719 1.00 0.59 C ATOM 412 CD ARG A 536 2.425 2.737 -2.174 1.00 0.65 C ATOM 413 NE ARG A 536 1.084 3.298 -2.312 1.00 0.70 N ATOM 414 CZ ARG A 536 0.744 4.537 -1.960 1.00 0.93 C ATOM 415 NH1 ARG A 536 1.640 5.355 -1.425 1.00 1.38 N ATOM 416 NH2 ARG A 536 -0.498 4.953 -2.142 1.00 0.94 N ATOM 0 H ARG A 536 0.782 -0.975 0.009 1.00 0.38 H new ATOM 0 HA ARG A 536 3.134 -1.218 -1.571 1.00 0.44 H new ATOM 0 HB2 ARG A 536 1.109 -0.277 -2.477 1.00 0.49 H new ATOM 0 HB3 ARG A 536 1.032 0.937 -1.217 1.00 0.49 H new ATOM 0 HG2 ARG A 536 3.541 1.008 -2.776 1.00 0.59 H new ATOM 0 HG3 ARG A 536 2.104 1.302 -3.734 1.00 0.59 H new ATOM 0 HD2 ARG A 536 2.713 2.737 -1.123 1.00 0.65 H new ATOM 0 HD3 ARG A 536 3.140 3.369 -2.701 1.00 0.65 H new ATOM 0 HE ARG A 536 0.357 2.700 -2.705 1.00 0.70 H new ATOM 0 HH11 ARG A 536 2.598 5.037 -1.280 1.00 1.38 H new ATOM 0 HH12 ARG A 536 1.371 6.302 -1.158 1.00 1.38 H new ATOM 0 HH21 ARG A 536 -1.191 4.326 -2.550 1.00 0.94 H new ATOM 0 HH22 ARG A 536 -0.763 5.901 -1.874 1.00 0.94 H new ATOM 430 N VAL A 537 3.187 1.028 0.849 1.00 0.45 N ATOM 431 CA VAL A 537 4.109 1.836 1.643 1.00 0.49 C ATOM 432 C VAL A 537 5.137 0.941 2.325 1.00 0.45 C ATOM 433 O VAL A 537 6.316 1.270 2.392 1.00 0.48 O ATOM 434 CB VAL A 537 3.387 2.710 2.698 1.00 0.51 C ATOM 435 CG1 VAL A 537 2.385 3.621 2.021 1.00 0.55 C ATOM 436 CG2 VAL A 537 2.693 1.866 3.756 1.00 0.47 C ATOM 0 H VAL A 537 2.215 1.061 1.157 1.00 0.45 H new ATOM 0 HA VAL A 537 4.608 2.516 0.952 1.00 0.49 H new ATOM 0 HB VAL A 537 4.144 3.311 3.201 1.00 0.51 H new ATOM 0 HG11 VAL A 537 1.883 4.231 2.772 1.00 0.55 H new ATOM 0 HG12 VAL A 537 2.902 4.269 1.313 1.00 0.55 H new ATOM 0 HG13 VAL A 537 1.647 3.020 1.490 1.00 0.55 H new ATOM 0 HG21 VAL A 537 2.199 2.519 4.476 1.00 0.47 H new ATOM 0 HG22 VAL A 537 1.952 1.224 3.280 1.00 0.47 H new ATOM 0 HG23 VAL A 537 3.430 1.250 4.271 1.00 0.47 H new ATOM 446 N THR A 538 4.671 -0.204 2.803 1.00 0.40 N ATOM 447 CA THR A 538 5.532 -1.178 3.446 1.00 0.38 C ATOM 448 C THR A 538 6.548 -1.750 2.449 1.00 0.36 C ATOM 449 O THR A 538 7.715 -1.958 2.784 1.00 0.34 O ATOM 450 CB THR A 538 4.687 -2.312 4.065 1.00 0.35 C ATOM 451 OG1 THR A 538 3.799 -1.778 5.057 1.00 0.36 O ATOM 452 CG2 THR A 538 5.566 -3.382 4.686 1.00 0.36 C ATOM 0 H THR A 538 3.690 -0.480 2.755 1.00 0.40 H new ATOM 0 HA THR A 538 6.083 -0.677 4.242 1.00 0.38 H new ATOM 0 HB THR A 538 4.107 -2.771 3.265 1.00 0.35 H new ATOM 0 HG1 THR A 538 2.909 -1.653 4.666 1.00 0.36 H new ATOM 0 HG21 THR A 538 4.939 -4.165 5.113 1.00 0.36 H new ATOM 0 HG22 THR A 538 6.213 -3.811 3.921 1.00 0.36 H new ATOM 0 HG23 THR A 538 6.178 -2.939 5.472 1.00 0.36 H new ATOM 460 N LEU A 539 6.108 -1.971 1.214 1.00 0.37 N ATOM 461 CA LEU A 539 6.978 -2.471 0.166 1.00 0.37 C ATOM 462 C LEU A 539 8.006 -1.403 -0.200 1.00 0.38 C ATOM 463 O LEU A 539 9.191 -1.692 -0.347 1.00 0.35 O ATOM 464 CB LEU A 539 6.116 -2.893 -1.038 1.00 0.42 C ATOM 465 CG LEU A 539 6.841 -3.322 -2.321 1.00 0.47 C ATOM 466 CD1 LEU A 539 7.273 -2.108 -3.113 1.00 0.52 C ATOM 467 CD2 LEU A 539 8.034 -4.211 -2.010 1.00 0.44 C ATOM 0 H LEU A 539 5.146 -1.809 0.918 1.00 0.37 H new ATOM 0 HA LEU A 539 7.531 -3.347 0.506 1.00 0.37 H new ATOM 0 HB2 LEU A 539 5.479 -3.719 -0.721 1.00 0.42 H new ATOM 0 HB3 LEU A 539 5.458 -2.060 -1.287 1.00 0.42 H new ATOM 0 HG LEU A 539 6.143 -3.902 -2.924 1.00 0.47 H new ATOM 0 HD11 LEU A 539 7.786 -2.429 -4.020 1.00 0.52 H new ATOM 0 HD12 LEU A 539 6.397 -1.518 -3.381 1.00 0.52 H new ATOM 0 HD13 LEU A 539 7.948 -1.501 -2.510 1.00 0.52 H new ATOM 0 HD21 LEU A 539 8.526 -4.498 -2.939 1.00 0.44 H new ATOM 0 HD22 LEU A 539 8.738 -3.668 -1.379 1.00 0.44 H new ATOM 0 HD23 LEU A 539 7.695 -5.106 -1.488 1.00 0.44 H new ATOM 479 N GLN A 540 7.544 -0.169 -0.332 1.00 0.43 N ATOM 480 CA GLN A 540 8.433 0.951 -0.610 1.00 0.45 C ATOM 481 C GLN A 540 9.439 1.135 0.520 1.00 0.35 C ATOM 482 O GLN A 540 10.565 1.546 0.290 1.00 0.30 O ATOM 483 CB GLN A 540 7.639 2.236 -0.795 1.00 0.58 C ATOM 484 CG GLN A 540 6.724 2.215 -2.000 1.00 0.69 C ATOM 485 CD GLN A 540 7.487 2.207 -3.309 1.00 0.73 C ATOM 486 OE1 GLN A 540 7.788 1.025 -3.818 1.00 1.05 O flip ATOM 487 NE2 GLN A 540 7.798 3.257 -3.865 1.00 1.55 N flip ATOM 0 H GLN A 540 6.559 0.083 -0.251 1.00 0.43 H new ATOM 0 HA GLN A 540 8.970 0.728 -1.532 1.00 0.45 H new ATOM 0 HB2 GLN A 540 7.043 2.417 0.100 1.00 0.58 H new ATOM 0 HB3 GLN A 540 8.333 3.071 -0.891 1.00 0.58 H new ATOM 0 HG2 GLN A 540 6.084 1.334 -1.951 1.00 0.69 H new ATOM 0 HG3 GLN A 540 6.069 3.086 -1.970 1.00 0.69 H new ATOM 0 HE21 GLN A 540 7.549 4.151 -3.442 1.00 1.55 H new ATOM 0 HE22 GLN A 540 8.306 3.235 -4.749 1.00 1.55 H new ATOM 496 N ASN A 541 9.014 0.825 1.736 1.00 0.37 N ATOM 497 CA ASN A 541 9.893 0.867 2.904 1.00 0.34 C ATOM 498 C ASN A 541 11.015 -0.157 2.735 1.00 0.25 C ATOM 499 O ASN A 541 12.187 0.142 2.956 1.00 0.25 O ATOM 500 CB ASN A 541 9.080 0.567 4.175 1.00 0.42 C ATOM 501 CG ASN A 541 9.833 0.842 5.467 1.00 0.49 C ATOM 502 OD1 ASN A 541 11.054 0.711 5.544 1.00 1.08 O ATOM 503 ND2 ASN A 541 9.097 1.224 6.499 1.00 1.21 N ATOM 0 H ASN A 541 8.057 0.539 1.944 1.00 0.37 H new ATOM 0 HA ASN A 541 10.332 1.860 2.996 1.00 0.34 H new ATOM 0 HB2 ASN A 541 8.170 1.166 4.162 1.00 0.42 H new ATOM 0 HB3 ASN A 541 8.774 -0.479 4.160 1.00 0.42 H new ATOM 0 HD21 ASN A 541 9.540 1.421 7.396 1.00 1.21 H new ATOM 0 HD22 ASN A 541 8.087 1.322 6.397 1.00 1.21 H new ATOM 510 N GLN A 542 10.644 -1.361 2.315 1.00 0.22 N ATOM 511 CA GLN A 542 11.616 -2.416 2.047 1.00 0.21 C ATOM 512 C GLN A 542 12.528 -2.012 0.893 1.00 0.18 C ATOM 513 O GLN A 542 13.729 -2.265 0.918 1.00 0.24 O ATOM 514 CB GLN A 542 10.905 -3.730 1.712 1.00 0.27 C ATOM 515 CG GLN A 542 9.930 -4.188 2.783 1.00 0.33 C ATOM 516 CD GLN A 542 10.589 -4.393 4.133 1.00 1.18 C ATOM 517 OE1 GLN A 542 10.672 -3.471 4.945 1.00 1.94 O ATOM 518 NE2 GLN A 542 11.049 -5.605 4.386 1.00 1.98 N ATOM 0 H GLN A 542 9.674 -1.632 2.152 1.00 0.22 H new ATOM 0 HA GLN A 542 12.219 -2.563 2.943 1.00 0.21 H new ATOM 0 HB2 GLN A 542 10.368 -3.612 0.771 1.00 0.27 H new ATOM 0 HB3 GLN A 542 11.653 -4.508 1.557 1.00 0.27 H new ATOM 0 HG2 GLN A 542 9.134 -3.450 2.882 1.00 0.33 H new ATOM 0 HG3 GLN A 542 9.463 -5.121 2.467 1.00 0.33 H new ATOM 0 HE21 GLN A 542 10.960 -6.341 3.685 1.00 1.98 H new ATOM 0 HE22 GLN A 542 11.493 -5.805 5.282 1.00 1.98 H new ATOM 527 N LEU A 543 11.939 -1.386 -0.118 1.00 0.19 N ATOM 528 CA LEU A 543 12.686 -0.907 -1.276 1.00 0.23 C ATOM 529 C LEU A 543 13.599 0.254 -0.888 1.00 0.16 C ATOM 530 O LEU A 543 14.704 0.392 -1.408 1.00 0.24 O ATOM 531 CB LEU A 543 11.717 -0.481 -2.386 1.00 0.34 C ATOM 532 CG LEU A 543 12.355 -0.153 -3.736 1.00 0.46 C ATOM 533 CD1 LEU A 543 11.361 -0.415 -4.850 1.00 0.61 C ATOM 534 CD2 LEU A 543 12.813 1.296 -3.795 1.00 0.43 C ATOM 0 H LEU A 543 10.938 -1.197 -0.160 1.00 0.19 H new ATOM 0 HA LEU A 543 13.311 -1.719 -1.647 1.00 0.23 H new ATOM 0 HB2 LEU A 543 10.990 -1.279 -2.534 1.00 0.34 H new ATOM 0 HB3 LEU A 543 11.165 0.394 -2.044 1.00 0.34 H new ATOM 0 HG LEU A 543 13.229 -0.793 -3.860 1.00 0.46 H new ATOM 0 HD11 LEU A 543 11.820 -0.180 -5.810 1.00 0.61 H new ATOM 0 HD12 LEU A 543 11.067 -1.464 -4.836 1.00 0.61 H new ATOM 0 HD13 LEU A 543 10.480 0.211 -4.706 1.00 0.61 H new ATOM 0 HD21 LEU A 543 13.262 1.496 -4.768 1.00 0.43 H new ATOM 0 HD22 LEU A 543 11.957 1.954 -3.648 1.00 0.43 H new ATOM 0 HD23 LEU A 543 13.549 1.477 -3.012 1.00 0.43 H new ATOM 546 N GLN A 544 13.126 1.085 0.025 1.00 0.11 N ATOM 547 CA GLN A 544 13.886 2.212 0.509 1.00 0.20 C ATOM 548 C GLN A 544 15.142 1.714 1.208 1.00 0.29 C ATOM 549 O GLN A 544 16.231 2.248 1.015 1.00 0.37 O ATOM 550 CB GLN A 544 13.011 3.028 1.456 1.00 0.32 C ATOM 551 CG GLN A 544 13.634 4.326 1.899 1.00 0.49 C ATOM 552 CD GLN A 544 12.706 5.145 2.773 1.00 0.78 C ATOM 553 OE1 GLN A 544 12.735 5.040 3.999 1.00 1.34 O ATOM 554 NE2 GLN A 544 11.867 5.956 2.149 1.00 1.64 N ATOM 0 H GLN A 544 12.203 0.992 0.449 1.00 0.11 H new ATOM 0 HA GLN A 544 14.192 2.851 -0.320 1.00 0.20 H new ATOM 0 HB2 GLN A 544 12.062 3.241 0.964 1.00 0.32 H new ATOM 0 HB3 GLN A 544 12.786 2.426 2.336 1.00 0.32 H new ATOM 0 HG2 GLN A 544 14.553 4.116 2.446 1.00 0.49 H new ATOM 0 HG3 GLN A 544 13.912 4.910 1.022 1.00 0.49 H new ATOM 0 HE21 GLN A 544 11.875 6.013 1.131 1.00 1.64 H new ATOM 0 HE22 GLN A 544 11.212 6.524 2.686 1.00 1.64 H new ATOM 563 N GLN A 545 14.979 0.666 1.997 1.00 0.33 N ATOM 564 CA GLN A 545 16.107 0.004 2.632 1.00 0.47 C ATOM 565 C GLN A 545 16.959 -0.708 1.586 1.00 0.50 C ATOM 566 O GLN A 545 18.172 -0.813 1.731 1.00 0.63 O ATOM 567 CB GLN A 545 15.625 -0.979 3.695 1.00 0.53 C ATOM 568 CG GLN A 545 14.963 -0.302 4.880 1.00 1.16 C ATOM 569 CD GLN A 545 14.392 -1.287 5.875 1.00 1.53 C ATOM 570 OE1 GLN A 545 15.074 -1.726 6.802 1.00 1.91 O ATOM 571 NE2 GLN A 545 13.130 -1.635 5.698 1.00 2.20 N ATOM 0 H GLN A 545 14.072 0.253 2.214 1.00 0.33 H new ATOM 0 HA GLN A 545 16.721 0.759 3.123 1.00 0.47 H new ATOM 0 HB2 GLN A 545 14.920 -1.676 3.243 1.00 0.53 H new ATOM 0 HB3 GLN A 545 16.472 -1.567 4.048 1.00 0.53 H new ATOM 0 HG2 GLN A 545 15.692 0.334 5.383 1.00 1.16 H new ATOM 0 HG3 GLN A 545 14.165 0.349 4.522 1.00 1.16 H new ATOM 0 HE21 GLN A 545 12.599 -1.249 4.917 1.00 2.20 H new ATOM 0 HE22 GLN A 545 12.686 -2.290 6.342 1.00 2.20 H new ATOM 580 N PHE A 546 16.310 -1.194 0.534 1.00 0.42 N ATOM 581 CA PHE A 546 16.994 -1.864 -0.566 1.00 0.53 C ATOM 582 C PHE A 546 17.946 -0.906 -1.293 1.00 0.61 C ATOM 583 O PHE A 546 19.100 -1.249 -1.545 1.00 0.77 O ATOM 584 CB PHE A 546 15.946 -2.467 -1.517 1.00 0.54 C ATOM 585 CG PHE A 546 16.322 -2.469 -2.974 1.00 0.68 C ATOM 586 CD1 PHE A 546 17.200 -3.412 -3.491 1.00 1.26 C ATOM 587 CD2 PHE A 546 15.769 -1.533 -3.832 1.00 0.93 C ATOM 588 CE1 PHE A 546 17.525 -3.408 -4.836 1.00 1.38 C ATOM 589 CE2 PHE A 546 16.088 -1.521 -5.172 1.00 1.03 C ATOM 590 CZ PHE A 546 16.964 -2.463 -5.679 1.00 0.99 C ATOM 0 H PHE A 546 15.298 -1.135 0.420 1.00 0.42 H new ATOM 0 HA PHE A 546 17.612 -2.671 -0.172 1.00 0.53 H new ATOM 0 HB2 PHE A 546 15.749 -3.494 -1.209 1.00 0.54 H new ATOM 0 HB3 PHE A 546 15.014 -1.914 -1.401 1.00 0.54 H new ATOM 0 HD1 PHE A 546 17.633 -4.155 -2.838 1.00 1.26 H new ATOM 0 HD2 PHE A 546 15.076 -0.801 -3.444 1.00 0.93 H new ATOM 0 HE1 PHE A 546 18.215 -4.141 -5.228 1.00 1.38 H new ATOM 0 HE2 PHE A 546 15.655 -0.778 -5.825 1.00 1.03 H new ATOM 0 HZ PHE A 546 17.210 -2.462 -6.731 1.00 0.99 H new ATOM 600 N LEU A 547 17.471 0.290 -1.618 1.00 0.53 N ATOM 601 CA LEU A 547 18.314 1.286 -2.265 1.00 0.64 C ATOM 602 C LEU A 547 19.446 1.709 -1.335 1.00 0.74 C ATOM 603 O LEU A 547 20.559 1.994 -1.781 1.00 0.89 O ATOM 604 CB LEU A 547 17.478 2.490 -2.725 1.00 0.59 C ATOM 605 CG LEU A 547 16.945 3.428 -1.633 1.00 0.50 C ATOM 606 CD1 LEU A 547 17.948 4.529 -1.316 1.00 0.66 C ATOM 607 CD2 LEU A 547 15.611 4.026 -2.056 1.00 0.46 C ATOM 0 H LEU A 547 16.512 0.592 -1.445 1.00 0.53 H new ATOM 0 HA LEU A 547 18.762 0.842 -3.154 1.00 0.64 H new ATOM 0 HB2 LEU A 547 18.084 3.080 -3.412 1.00 0.59 H new ATOM 0 HB3 LEU A 547 16.627 2.114 -3.293 1.00 0.59 H new ATOM 0 HG LEU A 547 16.795 2.842 -0.726 1.00 0.50 H new ATOM 0 HD11 LEU A 547 17.543 5.178 -0.539 1.00 0.66 H new ATOM 0 HD12 LEU A 547 18.879 4.083 -0.967 1.00 0.66 H new ATOM 0 HD13 LEU A 547 18.141 5.115 -2.214 1.00 0.66 H new ATOM 0 HD21 LEU A 547 15.245 4.689 -1.272 1.00 0.46 H new ATOM 0 HD22 LEU A 547 15.742 4.592 -2.978 1.00 0.46 H new ATOM 0 HD23 LEU A 547 14.889 3.226 -2.221 1.00 0.46 H new ATOM 619 N GLU A 548 19.150 1.754 -0.041 1.00 0.69 N ATOM 620 CA GLU A 548 20.169 2.010 0.970 1.00 0.85 C ATOM 621 C GLU A 548 21.167 0.854 1.038 1.00 0.97 C ATOM 622 O GLU A 548 22.359 1.063 1.258 1.00 1.12 O ATOM 623 CB GLU A 548 19.535 2.223 2.346 1.00 0.87 C ATOM 624 CG GLU A 548 18.671 3.469 2.442 1.00 0.88 C ATOM 625 CD GLU A 548 18.128 3.694 3.838 1.00 1.55 C ATOM 626 OE1 GLU A 548 18.365 2.841 4.721 1.00 1.98 O ATOM 627 OE2 GLU A 548 17.446 4.716 4.058 1.00 2.23 O ATOM 0 H GLU A 548 18.211 1.616 0.333 1.00 0.69 H new ATOM 0 HA GLU A 548 20.697 2.919 0.683 1.00 0.85 H new ATOM 0 HB2 GLU A 548 18.928 1.352 2.594 1.00 0.87 H new ATOM 0 HB3 GLU A 548 20.326 2.283 3.094 1.00 0.87 H new ATOM 0 HG2 GLU A 548 19.257 4.337 2.139 1.00 0.88 H new ATOM 0 HG3 GLU A 548 17.840 3.385 1.742 1.00 0.88 H new ATOM 634 N ALA A 549 20.669 -0.364 0.860 1.00 0.93 N ATOM 635 CA ALA A 549 21.516 -1.550 0.833 1.00 1.09 C ATOM 636 C ALA A 549 22.481 -1.481 -0.342 1.00 1.20 C ATOM 637 O ALA A 549 23.650 -1.843 -0.218 1.00 1.35 O ATOM 638 CB ALA A 549 20.667 -2.812 0.756 1.00 1.06 C ATOM 0 H ALA A 549 19.676 -0.556 0.731 1.00 0.93 H new ATOM 0 HA ALA A 549 22.095 -1.585 1.756 1.00 1.09 H new ATOM 0 HB1 ALA A 549 21.317 -3.687 0.737 1.00 1.06 H new ATOM 0 HB2 ALA A 549 20.013 -2.864 1.627 1.00 1.06 H new ATOM 0 HB3 ALA A 549 20.062 -2.789 -0.151 1.00 1.06 H new ATOM 644 N GLN A 550 21.988 -0.992 -1.479 1.00 1.15 N ATOM 645 CA GLN A 550 22.829 -0.787 -2.655 1.00 1.31 C ATOM 646 C GLN A 550 23.971 0.167 -2.325 1.00 1.43 C ATOM 647 O GLN A 550 25.086 0.005 -2.812 1.00 1.65 O ATOM 648 CB GLN A 550 22.009 -0.234 -3.821 1.00 1.26 C ATOM 649 CG GLN A 550 20.825 -1.105 -4.191 1.00 1.20 C ATOM 650 CD GLN A 550 20.059 -0.568 -5.384 1.00 1.71 C ATOM 651 OE1 GLN A 550 19.146 0.243 -5.234 1.00 2.38 O ATOM 652 NE2 GLN A 550 20.421 -1.017 -6.577 1.00 2.29 N ATOM 0 H GLN A 550 21.011 -0.731 -1.610 1.00 1.15 H new ATOM 0 HA GLN A 550 23.242 -1.751 -2.950 1.00 1.31 H new ATOM 0 HB2 GLN A 550 21.651 0.763 -3.563 1.00 1.26 H new ATOM 0 HB3 GLN A 550 22.656 -0.125 -4.691 1.00 1.26 H new ATOM 0 HG2 GLN A 550 21.175 -2.113 -4.412 1.00 1.20 H new ATOM 0 HG3 GLN A 550 20.153 -1.181 -3.336 1.00 1.20 H new ATOM 0 HE21 GLN A 550 21.184 -1.689 -6.659 1.00 2.29 H new ATOM 0 HE22 GLN A 550 19.937 -0.690 -7.413 1.00 2.29 H new ATOM 661 N LYS A 551 23.678 1.150 -1.480 1.00 1.33 N ATOM 662 CA LYS A 551 24.688 2.097 -1.013 1.00 1.50 C ATOM 663 C LYS A 551 25.693 1.395 -0.115 1.00 1.72 C ATOM 664 O LYS A 551 26.894 1.628 -0.215 1.00 2.01 O ATOM 665 CB LYS A 551 24.038 3.242 -0.242 1.00 1.43 C ATOM 666 CG LYS A 551 22.944 3.956 -1.012 1.00 1.36 C ATOM 667 CD LYS A 551 23.488 4.670 -2.235 1.00 1.66 C ATOM 668 CE LYS A 551 22.371 5.323 -3.030 1.00 1.93 C ATOM 669 NZ LYS A 551 21.418 4.319 -3.576 1.00 2.36 N ATOM 0 H LYS A 551 22.745 1.313 -1.102 1.00 1.33 H new ATOM 0 HA LYS A 551 25.200 2.501 -1.886 1.00 1.50 H new ATOM 0 HB2 LYS A 551 23.620 2.852 0.686 1.00 1.43 H new ATOM 0 HB3 LYS A 551 24.806 3.964 0.033 1.00 1.43 H new ATOM 0 HG2 LYS A 551 22.186 3.235 -1.319 1.00 1.36 H new ATOM 0 HG3 LYS A 551 22.452 4.677 -0.359 1.00 1.36 H new ATOM 0 HD2 LYS A 551 24.209 5.427 -1.927 1.00 1.66 H new ATOM 0 HD3 LYS A 551 24.021 3.960 -2.867 1.00 1.66 H new ATOM 0 HE2 LYS A 551 21.833 6.024 -2.392 1.00 1.93 H new ATOM 0 HE3 LYS A 551 22.798 5.901 -3.849 1.00 1.93 H new ATOM 0 HZ1 LYS A 551 20.773 4.782 -4.247 1.00 2.36 H new ATOM 0 HZ2 LYS A 551 21.947 3.569 -4.065 1.00 2.36 H new ATOM 0 HZ3 LYS A 551 20.868 3.903 -2.797 1.00 2.36 H new ATOM 683 N SER A 552 25.189 0.529 0.755 1.00 1.61 N ATOM 684 CA SER A 552 26.037 -0.247 1.646 1.00 1.82 C ATOM 685 C SER A 552 26.928 -1.191 0.834 1.00 1.95 C ATOM 686 O SER A 552 28.020 -1.564 1.262 1.00 2.23 O ATOM 687 CB SER A 552 25.178 -1.033 2.644 1.00 1.69 C ATOM 688 OG SER A 552 25.955 -1.501 3.734 1.00 1.76 O ATOM 0 H SER A 552 24.191 0.347 0.861 1.00 1.61 H new ATOM 0 HA SER A 552 26.678 0.433 2.208 1.00 1.82 H new ATOM 0 HB2 SER A 552 24.373 -0.398 3.014 1.00 1.69 H new ATOM 0 HB3 SER A 552 24.710 -1.878 2.138 1.00 1.69 H new ATOM 0 HG SER A 552 25.382 -1.997 4.355 1.00 1.76 H new ATOM 694 N GLU A 553 26.452 -1.571 -0.343 1.00 1.81 N ATOM 695 CA GLU A 553 27.243 -2.365 -1.267 1.00 2.00 C ATOM 696 C GLU A 553 28.247 -1.482 -2.005 1.00 2.25 C ATOM 697 O GLU A 553 29.413 -1.845 -2.160 1.00 2.55 O ATOM 698 CB GLU A 553 26.337 -3.070 -2.275 1.00 1.88 C ATOM 699 CG GLU A 553 25.431 -4.110 -1.645 1.00 1.75 C ATOM 700 CD GLU A 553 26.205 -5.247 -1.017 1.00 1.97 C ATOM 701 OE1 GLU A 553 27.148 -5.756 -1.655 1.00 1.91 O ATOM 702 OE2 GLU A 553 25.881 -5.629 0.126 1.00 2.46 O ATOM 0 H GLU A 553 25.517 -1.340 -0.680 1.00 1.81 H new ATOM 0 HA GLU A 553 27.786 -3.116 -0.693 1.00 2.00 H new ATOM 0 HB2 GLU A 553 25.725 -2.326 -2.785 1.00 1.88 H new ATOM 0 HB3 GLU A 553 26.955 -3.549 -3.035 1.00 1.88 H new ATOM 0 HG2 GLU A 553 24.810 -3.634 -0.886 1.00 1.75 H new ATOM 0 HG3 GLU A 553 24.758 -4.508 -2.404 1.00 1.75 H new ATOM 709 N GLY A 554 27.780 -0.311 -2.432 1.00 2.16 N ATOM 710 CA GLY A 554 28.603 0.601 -3.207 1.00 2.43 C ATOM 711 C GLY A 554 29.707 1.247 -2.392 1.00 2.68 C ATOM 712 O GLY A 554 30.776 1.546 -2.916 1.00 2.98 O ATOM 0 H GLY A 554 26.834 0.025 -2.252 1.00 2.16 H new ATOM 0 HA2 GLY A 554 29.046 0.060 -4.043 1.00 2.43 H new ATOM 0 HA3 GLY A 554 27.970 1.380 -3.632 1.00 2.43 H new ATOM 716 N LYS A 555 29.449 1.475 -1.109 1.00 2.59 N ATOM 717 CA LYS A 555 30.462 2.028 -0.210 1.00 2.88 C ATOM 718 C LYS A 555 31.626 1.054 -0.052 1.00 3.09 C ATOM 719 O LYS A 555 32.735 1.439 0.309 1.00 3.44 O ATOM 720 CB LYS A 555 29.849 2.341 1.160 1.00 2.82 C ATOM 721 CG LYS A 555 29.372 1.109 1.914 1.00 2.71 C ATOM 722 CD LYS A 555 28.665 1.462 3.212 1.00 2.71 C ATOM 723 CE LYS A 555 29.617 2.047 4.240 1.00 2.99 C ATOM 724 NZ LYS A 555 28.955 2.217 5.560 1.00 3.58 N ATOM 0 H LYS A 555 28.550 1.287 -0.666 1.00 2.59 H new ATOM 0 HA LYS A 555 30.838 2.954 -0.646 1.00 2.88 H new ATOM 0 HB2 LYS A 555 30.588 2.864 1.767 1.00 2.82 H new ATOM 0 HB3 LYS A 555 29.008 3.021 1.025 1.00 2.82 H new ATOM 0 HG2 LYS A 555 28.696 0.537 1.279 1.00 2.71 H new ATOM 0 HG3 LYS A 555 30.225 0.466 2.131 1.00 2.71 H new ATOM 0 HD2 LYS A 555 27.869 2.178 3.008 1.00 2.71 H new ATOM 0 HD3 LYS A 555 28.194 0.569 3.622 1.00 2.71 H new ATOM 0 HE2 LYS A 555 30.484 1.395 4.348 1.00 2.99 H new ATOM 0 HE3 LYS A 555 29.985 3.011 3.889 1.00 2.99 H new ATOM 0 HZ1 LYS A 555 29.633 2.618 6.239 1.00 3.58 H new ATOM 0 HZ2 LYS A 555 28.143 2.859 5.461 1.00 3.58 H new ATOM 0 HZ3 LYS A 555 28.626 1.293 5.905 1.00 3.58 H new ATOM 738 N SER A 556 31.359 -0.210 -0.342 1.00 2.91 N ATOM 739 CA SER A 556 32.366 -1.252 -0.244 1.00 3.12 C ATOM 740 C SER A 556 32.973 -1.520 -1.623 1.00 3.40 C ATOM 741 O SER A 556 33.729 -2.473 -1.818 1.00 3.67 O ATOM 742 CB SER A 556 31.738 -2.527 0.331 1.00 2.84 C ATOM 743 OG SER A 556 32.721 -3.488 0.680 1.00 3.07 O ATOM 0 H SER A 556 30.444 -0.540 -0.650 1.00 2.91 H new ATOM 0 HA SER A 556 33.162 -0.926 0.425 1.00 3.12 H new ATOM 0 HB2 SER A 556 31.147 -2.276 1.212 1.00 2.84 H new ATOM 0 HB3 SER A 556 31.053 -2.957 -0.400 1.00 2.84 H new ATOM 0 HG SER A 556 33.398 -3.535 -0.027 1.00 3.07 H new ATOM 749 N LEU A 557 32.631 -0.666 -2.577 1.00 3.70 N ATOM 750 CA LEU A 557 33.152 -0.778 -3.929 1.00 4.05 C ATOM 751 C LEU A 557 34.165 0.330 -4.180 1.00 4.48 C ATOM 752 O LEU A 557 33.758 1.428 -4.621 1.00 4.98 O ATOM 753 CB LEU A 557 32.008 -0.699 -4.945 1.00 4.73 C ATOM 754 CG LEU A 557 32.411 -0.883 -6.410 1.00 5.04 C ATOM 755 CD1 LEU A 557 33.015 -2.261 -6.628 1.00 5.74 C ATOM 756 CD2 LEU A 557 31.209 -0.675 -7.321 1.00 5.35 C ATOM 757 OXT LEU A 557 35.360 0.113 -3.908 1.00 4.73 O ATOM 0 H LEU A 557 31.991 0.116 -2.437 1.00 3.70 H new ATOM 0 HA LEU A 557 33.647 -1.742 -4.044 1.00 4.05 H new ATOM 0 HB2 LEU A 557 31.268 -1.459 -4.692 1.00 4.73 H new ATOM 0 HB3 LEU A 557 31.519 0.270 -4.840 1.00 4.73 H new ATOM 0 HG LEU A 557 33.165 -0.136 -6.658 1.00 5.04 H new ATOM 0 HD11 LEU A 557 33.295 -2.374 -7.675 1.00 5.74 H new ATOM 0 HD12 LEU A 557 33.900 -2.374 -6.001 1.00 5.74 H new ATOM 0 HD13 LEU A 557 32.284 -3.025 -6.364 1.00 5.74 H new ATOM 0 HD21 LEU A 557 31.512 -0.809 -8.359 1.00 5.35 H new ATOM 0 HD22 LEU A 557 30.434 -1.400 -7.072 1.00 5.35 H new ATOM 0 HD23 LEU A 557 30.819 0.334 -7.184 1.00 5.35 H new TER 769 LEU A 557