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 526 THR OG1 : rot 180:sc= -0.328 USER MOD Set 1.2: A 530 LYS NZ :NH3+ 170:sc= -0.348 (180deg=-0.132) USER MOD Single : A 511 SER OG : rot 180:sc= 0 USER MOD Single : A 514 THR OG1 : rot 180:sc= -0.0125 USER MOD Single : A 515 CYS SG : rot 69:sc= 0.349 USER MOD Single : A 516 MET CE :methyl -156:sc= -0.274 (180deg=-1.18) USER MOD Single : A 517 SER OG : rot 180:sc= 0 USER MOD Single : A 520 SER OG : rot -82:sc= 1.11 USER MOD Single : A 521 GLN : amide:sc= -0.559 X(o=-0.56,f=-0.27) USER MOD Single : A 524 LYS NZ :NH3+ 137:sc= -0.116 (180deg=-0.583) USER MOD Single : A 527 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 528 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 532 GLN : amide:sc= -1.06 K(o=-1.1,f=-6.2!) USER MOD Single : A 533 THR OG1 : rot 87:sc= 1.27 USER MOD Single : A 538 THR OG1 : rot 80:sc= 1.2 USER MOD Single : A 540 GLN : amide:sc= -0.104 K(o=-0.1,f=-1.3) USER MOD Single : A 541 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 542 GLN : amide:sc= -0.855 K(o=-0.85,f=-0.32) USER MOD Single : A 544 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.017) USER MOD Single : A 545 GLN : amide:sc= -0.0226 K(o=-0.023,f=-0.56) USER MOD Single : A 550 GLN : amide:sc= -0.566 X(o=-0.57,f=-0.83) USER MOD Single : A 551 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 552 SER OG : rot 180:sc= 0 USER MOD Single : A 555 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0142) USER MOD Single : A 556 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 510 -36.195 -5.569 -8.798 1.00 9.10 N ATOM 2 CA GLY A 510 -35.536 -5.771 -10.108 1.00 8.55 C ATOM 3 C GLY A 510 -34.049 -5.488 -10.059 1.00 7.83 C ATOM 4 O GLY A 510 -33.233 -6.382 -10.289 1.00 8.04 O ATOM 0 HA2 GLY A 510 -35.697 -6.798 -10.437 1.00 8.55 H new ATOM 0 HA3 GLY A 510 -36.002 -5.122 -10.849 1.00 8.55 H new ATOM 10 N SER A 511 -33.689 -4.254 -9.744 1.00 7.22 N ATOM 11 CA SER A 511 -32.292 -3.850 -9.767 1.00 6.73 C ATOM 12 C SER A 511 -31.739 -3.623 -8.356 1.00 6.19 C ATOM 13 O SER A 511 -30.791 -2.858 -8.168 1.00 5.90 O ATOM 14 CB SER A 511 -32.144 -2.578 -10.607 1.00 6.95 C ATOM 15 OG SER A 511 -32.812 -2.709 -11.856 1.00 7.47 O ATOM 0 H SER A 511 -34.341 -3.518 -9.471 1.00 7.22 H new ATOM 0 HA SER A 511 -31.712 -4.658 -10.214 1.00 6.73 H new ATOM 0 HB2 SER A 511 -32.552 -1.728 -10.060 1.00 6.95 H new ATOM 0 HB3 SER A 511 -31.087 -2.371 -10.776 1.00 6.95 H new ATOM 0 HG SER A 511 -32.704 -1.883 -12.373 1.00 7.47 H new ATOM 21 N VAL A 512 -32.323 -4.288 -7.361 1.00 6.20 N ATOM 22 CA VAL A 512 -31.828 -4.173 -5.991 1.00 5.78 C ATOM 23 C VAL A 512 -30.441 -4.787 -5.883 1.00 5.49 C ATOM 24 O VAL A 512 -29.503 -4.140 -5.415 1.00 5.11 O ATOM 25 CB VAL A 512 -32.769 -4.839 -4.964 1.00 6.06 C ATOM 26 CG1 VAL A 512 -32.105 -4.908 -3.592 1.00 5.88 C ATOM 27 CG2 VAL A 512 -34.085 -4.084 -4.885 1.00 6.40 C ATOM 0 H VAL A 512 -33.128 -4.904 -7.475 1.00 6.20 H new ATOM 0 HA VAL A 512 -31.786 -3.109 -5.757 1.00 5.78 H new ATOM 0 HB VAL A 512 -32.975 -5.857 -5.294 1.00 6.06 H new ATOM 0 HG11 VAL A 512 -32.784 -5.381 -2.882 1.00 5.88 H new ATOM 0 HG12 VAL A 512 -31.188 -5.493 -3.661 1.00 5.88 H new ATOM 0 HG13 VAL A 512 -31.868 -3.900 -3.251 1.00 5.88 H new ATOM 0 HG21 VAL A 512 -34.738 -4.566 -4.157 1.00 6.40 H new ATOM 0 HG22 VAL A 512 -33.896 -3.055 -4.579 1.00 6.40 H new ATOM 0 HG23 VAL A 512 -34.567 -4.089 -5.863 1.00 6.40 H new ATOM 37 N GLU A 513 -30.311 -6.027 -6.340 1.00 5.73 N ATOM 38 CA GLU A 513 -29.028 -6.714 -6.333 1.00 5.58 C ATOM 39 C GLU A 513 -28.001 -5.957 -7.169 1.00 5.26 C ATOM 40 O GLU A 513 -26.808 -6.011 -6.892 1.00 4.95 O ATOM 41 CB GLU A 513 -29.183 -8.144 -6.837 1.00 6.03 C ATOM 42 CG GLU A 513 -29.743 -8.258 -8.247 1.00 6.54 C ATOM 43 CD GLU A 513 -30.140 -9.676 -8.594 1.00 7.02 C ATOM 44 OE1 GLU A 513 -29.341 -10.599 -8.348 1.00 7.27 O ATOM 45 OE2 GLU A 513 -31.241 -9.875 -9.145 1.00 7.40 O ATOM 0 H GLU A 513 -31.081 -6.577 -6.721 1.00 5.73 H new ATOM 0 HA GLU A 513 -28.667 -6.749 -5.305 1.00 5.58 H new ATOM 0 HB2 GLU A 513 -28.210 -8.635 -6.805 1.00 6.03 H new ATOM 0 HB3 GLU A 513 -29.837 -8.688 -6.155 1.00 6.03 H new ATOM 0 HG2 GLU A 513 -30.611 -7.606 -8.345 1.00 6.54 H new ATOM 0 HG3 GLU A 513 -28.998 -7.907 -8.961 1.00 6.54 H new ATOM 52 N THR A 514 -28.479 -5.246 -8.180 1.00 5.38 N ATOM 53 CA THR A 514 -27.630 -4.449 -9.031 1.00 5.15 C ATOM 54 C THR A 514 -26.961 -3.328 -8.232 1.00 4.74 C ATOM 55 O THR A 514 -25.733 -3.232 -8.193 1.00 4.68 O ATOM 56 CB THR A 514 -28.457 -3.857 -10.179 1.00 5.39 C ATOM 57 OG1 THR A 514 -29.256 -4.886 -10.777 1.00 5.70 O ATOM 58 CG2 THR A 514 -27.553 -3.233 -11.218 1.00 5.67 C ATOM 0 H THR A 514 -29.468 -5.210 -8.427 1.00 5.38 H new ATOM 0 HA THR A 514 -26.849 -5.089 -9.442 1.00 5.15 H new ATOM 0 HB THR A 514 -29.109 -3.080 -9.779 1.00 5.39 H new ATOM 0 HG1 THR A 514 -29.785 -4.506 -11.509 1.00 5.70 H new ATOM 0 HG21 THR A 514 -28.158 -2.818 -12.025 1.00 5.67 H new ATOM 0 HG22 THR A 514 -26.966 -2.438 -10.759 1.00 5.67 H new ATOM 0 HG23 THR A 514 -26.883 -3.993 -11.621 1.00 5.67 H new ATOM 66 N CYS A 515 -27.772 -2.500 -7.573 1.00 4.56 N ATOM 67 CA CYS A 515 -27.250 -1.400 -6.765 1.00 4.21 C ATOM 68 C CYS A 515 -26.498 -1.936 -5.550 1.00 3.93 C ATOM 69 O CYS A 515 -25.502 -1.360 -5.118 1.00 3.56 O ATOM 70 CB CYS A 515 -28.380 -0.474 -6.315 1.00 4.40 C ATOM 71 SG CYS A 515 -29.434 0.107 -7.665 1.00 4.96 S ATOM 0 H CYS A 515 -28.790 -2.570 -7.583 1.00 4.56 H new ATOM 0 HA CYS A 515 -26.557 -0.828 -7.382 1.00 4.21 H new ATOM 0 HB2 CYS A 515 -28.997 -0.998 -5.585 1.00 4.40 H new ATOM 0 HB3 CYS A 515 -27.949 0.389 -5.807 1.00 4.40 H new ATOM 0 HG CYS A 515 -30.128 -0.888 -8.132 1.00 4.96 H new ATOM 77 N MET A 516 -26.981 -3.041 -5.002 1.00 4.13 N ATOM 78 CA MET A 516 -26.298 -3.699 -3.900 1.00 3.95 C ATOM 79 C MET A 516 -24.906 -4.137 -4.341 1.00 3.70 C ATOM 80 O MET A 516 -23.929 -3.978 -3.605 1.00 3.40 O ATOM 81 CB MET A 516 -27.124 -4.891 -3.407 1.00 4.28 C ATOM 82 CG MET A 516 -26.515 -5.627 -2.223 1.00 4.27 C ATOM 83 SD MET A 516 -25.184 -6.769 -2.674 1.00 4.83 S ATOM 84 CE MET A 516 -26.035 -7.871 -3.801 1.00 5.80 C ATOM 0 H MET A 516 -27.841 -3.500 -5.302 1.00 4.13 H new ATOM 0 HA MET A 516 -26.188 -2.999 -3.072 1.00 3.95 H new ATOM 0 HB2 MET A 516 -28.118 -4.540 -3.129 1.00 4.28 H new ATOM 0 HB3 MET A 516 -27.253 -5.594 -4.230 1.00 4.28 H new ATOM 0 HG2 MET A 516 -26.128 -4.896 -1.513 1.00 4.27 H new ATOM 0 HG3 MET A 516 -27.300 -6.184 -1.711 1.00 4.27 H new ATOM 0 HE1 MET A 516 -25.519 -8.831 -3.830 1.00 5.80 H new ATOM 0 HE2 MET A 516 -27.060 -8.020 -3.460 1.00 5.80 H new ATOM 0 HE3 MET A 516 -26.045 -7.434 -4.799 1.00 5.80 H new ATOM 94 N SER A 517 -24.819 -4.656 -5.558 1.00 3.87 N ATOM 95 CA SER A 517 -23.561 -5.138 -6.094 1.00 3.73 C ATOM 96 C SER A 517 -22.585 -3.987 -6.319 1.00 3.38 C ATOM 97 O SER A 517 -21.435 -4.063 -5.903 1.00 3.11 O ATOM 98 CB SER A 517 -23.792 -5.898 -7.404 1.00 4.09 C ATOM 99 OG SER A 517 -22.598 -6.510 -7.862 1.00 4.52 O ATOM 0 H SER A 517 -25.611 -4.753 -6.193 1.00 3.87 H new ATOM 0 HA SER A 517 -23.124 -5.819 -5.364 1.00 3.73 H new ATOM 0 HB2 SER A 517 -24.559 -6.658 -7.256 1.00 4.09 H new ATOM 0 HB3 SER A 517 -24.166 -5.212 -8.164 1.00 4.09 H new ATOM 0 HG SER A 517 -22.776 -6.989 -8.698 1.00 4.52 H new ATOM 105 N LEU A 518 -23.044 -2.905 -6.946 1.00 3.41 N ATOM 106 CA LEU A 518 -22.153 -1.789 -7.235 1.00 3.15 C ATOM 107 C LEU A 518 -21.639 -1.138 -5.954 1.00 2.83 C ATOM 108 O LEU A 518 -20.468 -0.775 -5.861 1.00 2.54 O ATOM 109 CB LEU A 518 -22.804 -0.752 -8.170 1.00 3.32 C ATOM 110 CG LEU A 518 -24.242 -0.323 -7.858 1.00 3.52 C ATOM 111 CD1 LEU A 518 -24.284 0.791 -6.822 1.00 3.34 C ATOM 112 CD2 LEU A 518 -24.949 0.110 -9.131 1.00 3.86 C ATOM 0 H LEU A 518 -24.007 -2.780 -7.257 1.00 3.41 H new ATOM 0 HA LEU A 518 -21.294 -2.200 -7.766 1.00 3.15 H new ATOM 0 HB2 LEU A 518 -22.179 0.141 -8.169 1.00 3.32 H new ATOM 0 HB3 LEU A 518 -22.785 -1.154 -9.183 1.00 3.32 H new ATOM 0 HG LEU A 518 -24.762 -1.184 -7.437 1.00 3.52 H new ATOM 0 HD11 LEU A 518 -25.320 1.068 -6.627 1.00 3.34 H new ATOM 0 HD12 LEU A 518 -23.821 0.446 -5.898 1.00 3.34 H new ATOM 0 HD13 LEU A 518 -23.741 1.658 -7.198 1.00 3.34 H new ATOM 0 HD21 LEU A 518 -25.969 0.412 -8.896 1.00 3.86 H new ATOM 0 HD22 LEU A 518 -24.415 0.950 -9.576 1.00 3.86 H new ATOM 0 HD23 LEU A 518 -24.970 -0.721 -9.836 1.00 3.86 H new ATOM 124 N ALA A 519 -22.511 -1.022 -4.962 1.00 2.92 N ATOM 125 CA ALA A 519 -22.139 -0.446 -3.675 1.00 2.71 C ATOM 126 C ALA A 519 -21.130 -1.332 -2.945 1.00 2.50 C ATOM 127 O ALA A 519 -20.148 -0.838 -2.391 1.00 2.24 O ATOM 128 CB ALA A 519 -23.377 -0.230 -2.817 1.00 2.96 C ATOM 0 H ALA A 519 -23.485 -1.320 -5.023 1.00 2.92 H new ATOM 0 HA ALA A 519 -21.666 0.519 -3.859 1.00 2.71 H new ATOM 0 HB1 ALA A 519 -23.085 0.200 -1.859 1.00 2.96 H new ATOM 0 HB2 ALA A 519 -24.059 0.450 -3.327 1.00 2.96 H new ATOM 0 HB3 ALA A 519 -23.875 -1.185 -2.649 1.00 2.96 H new ATOM 134 N SER A 520 -21.365 -2.639 -2.959 1.00 2.66 N ATOM 135 CA SER A 520 -20.458 -3.576 -2.311 1.00 2.54 C ATOM 136 C SER A 520 -19.138 -3.663 -3.070 1.00 2.31 C ATOM 137 O SER A 520 -18.080 -3.808 -2.461 1.00 2.10 O ATOM 138 CB SER A 520 -21.108 -4.954 -2.176 1.00 2.83 C ATOM 139 OG SER A 520 -21.624 -5.409 -3.415 1.00 2.98 O ATOM 0 H SER A 520 -22.172 -3.071 -3.410 1.00 2.66 H new ATOM 0 HA SER A 520 -20.244 -3.207 -1.308 1.00 2.54 H new ATOM 0 HB2 SER A 520 -20.374 -5.668 -1.802 1.00 2.83 H new ATOM 0 HB3 SER A 520 -21.912 -4.908 -1.441 1.00 2.83 H new ATOM 0 HG SER A 520 -22.504 -5.007 -3.570 1.00 2.98 H new ATOM 145 N GLN A 521 -19.193 -3.570 -4.397 1.00 2.40 N ATOM 146 CA GLN A 521 -17.975 -3.543 -5.196 1.00 2.26 C ATOM 147 C GLN A 521 -17.147 -2.316 -4.851 1.00 1.95 C ATOM 148 O GLN A 521 -15.940 -2.412 -4.674 1.00 1.75 O ATOM 149 CB GLN A 521 -18.269 -3.574 -6.694 1.00 2.49 C ATOM 150 CG GLN A 521 -18.899 -4.875 -7.160 1.00 2.84 C ATOM 151 CD GLN A 521 -18.103 -6.095 -6.742 1.00 3.23 C ATOM 152 OE1 GLN A 521 -17.211 -6.550 -7.462 1.00 3.85 O ATOM 153 NE2 GLN A 521 -18.428 -6.638 -5.580 1.00 3.40 N ATOM 0 H GLN A 521 -20.058 -3.513 -4.934 1.00 2.40 H new ATOM 0 HA GLN A 521 -17.409 -4.443 -4.955 1.00 2.26 H new ATOM 0 HB2 GLN A 521 -18.935 -2.747 -6.943 1.00 2.49 H new ATOM 0 HB3 GLN A 521 -17.341 -3.412 -7.242 1.00 2.49 H new ATOM 0 HG2 GLN A 521 -19.909 -4.950 -6.756 1.00 2.84 H new ATOM 0 HG3 GLN A 521 -18.990 -4.861 -8.246 1.00 2.84 H new ATOM 0 HE21 GLN A 521 -19.173 -6.228 -5.016 1.00 3.40 H new ATOM 0 HE22 GLN A 521 -17.934 -7.466 -5.248 1.00 3.40 H new ATOM 162 N VAL A 522 -17.805 -1.167 -4.731 1.00 1.94 N ATOM 163 CA VAL A 522 -17.127 0.052 -4.298 1.00 1.71 C ATOM 164 C VAL A 522 -16.496 -0.158 -2.926 1.00 1.52 C ATOM 165 O VAL A 522 -15.373 0.279 -2.674 1.00 1.28 O ATOM 166 CB VAL A 522 -18.096 1.259 -4.255 1.00 1.86 C ATOM 167 CG1 VAL A 522 -17.440 2.470 -3.606 1.00 1.69 C ATOM 168 CG2 VAL A 522 -18.563 1.611 -5.657 1.00 2.07 C ATOM 0 H VAL A 522 -18.800 -1.054 -4.926 1.00 1.94 H new ATOM 0 HA VAL A 522 -16.347 0.274 -5.026 1.00 1.71 H new ATOM 0 HB VAL A 522 -18.958 0.974 -3.652 1.00 1.86 H new ATOM 0 HG11 VAL A 522 -18.145 3.301 -3.591 1.00 1.69 H new ATOM 0 HG12 VAL A 522 -17.148 2.222 -2.585 1.00 1.69 H new ATOM 0 HG13 VAL A 522 -16.556 2.755 -4.177 1.00 1.69 H new ATOM 0 HG21 VAL A 522 -19.244 2.461 -5.611 1.00 2.07 H new ATOM 0 HG22 VAL A 522 -17.702 1.868 -6.273 1.00 2.07 H new ATOM 0 HG23 VAL A 522 -19.079 0.756 -6.094 1.00 2.07 H new ATOM 178 N VAL A 523 -17.216 -0.849 -2.054 1.00 1.66 N ATOM 179 CA VAL A 523 -16.714 -1.196 -0.736 1.00 1.58 C ATOM 180 C VAL A 523 -15.467 -2.083 -0.844 1.00 1.41 C ATOM 181 O VAL A 523 -14.505 -1.913 -0.096 1.00 1.24 O ATOM 182 CB VAL A 523 -17.825 -1.887 0.090 1.00 1.85 C ATOM 183 CG1 VAL A 523 -17.256 -2.844 1.118 1.00 1.86 C ATOM 184 CG2 VAL A 523 -18.706 -0.850 0.768 1.00 1.98 C ATOM 0 H VAL A 523 -18.161 -1.183 -2.241 1.00 1.66 H new ATOM 0 HA VAL A 523 -16.422 -0.282 -0.219 1.00 1.58 H new ATOM 0 HB VAL A 523 -18.429 -2.471 -0.604 1.00 1.85 H new ATOM 0 HG11 VAL A 523 -18.071 -3.307 1.675 1.00 1.86 H new ATOM 0 HG12 VAL A 523 -16.676 -3.617 0.614 1.00 1.86 H new ATOM 0 HG13 VAL A 523 -16.611 -2.298 1.806 1.00 1.86 H new ATOM 0 HG21 VAL A 523 -19.482 -1.353 1.345 1.00 1.98 H new ATOM 0 HG22 VAL A 523 -18.099 -0.236 1.434 1.00 1.98 H new ATOM 0 HG23 VAL A 523 -19.169 -0.216 0.012 1.00 1.98 H new ATOM 194 N LYS A 524 -15.485 -3.017 -1.788 1.00 1.52 N ATOM 195 CA LYS A 524 -14.317 -3.851 -2.054 1.00 1.44 C ATOM 196 C LYS A 524 -13.166 -3.012 -2.593 1.00 1.21 C ATOM 197 O LYS A 524 -12.029 -3.155 -2.149 1.00 1.07 O ATOM 198 CB LYS A 524 -14.652 -4.967 -3.047 1.00 1.69 C ATOM 199 CG LYS A 524 -14.999 -6.290 -2.392 1.00 1.91 C ATOM 200 CD LYS A 524 -16.317 -6.209 -1.651 1.00 2.09 C ATOM 201 CE LYS A 524 -16.567 -7.452 -0.813 1.00 2.33 C ATOM 202 NZ LYS A 524 -15.490 -7.673 0.189 1.00 2.48 N ATOM 0 H LYS A 524 -16.291 -3.216 -2.380 1.00 1.52 H new ATOM 0 HA LYS A 524 -14.014 -4.304 -1.110 1.00 1.44 H new ATOM 0 HB2 LYS A 524 -15.490 -4.649 -3.667 1.00 1.69 H new ATOM 0 HB3 LYS A 524 -13.802 -5.115 -3.713 1.00 1.69 H new ATOM 0 HG2 LYS A 524 -15.054 -7.071 -3.151 1.00 1.91 H new ATOM 0 HG3 LYS A 524 -14.207 -6.574 -1.699 1.00 1.91 H new ATOM 0 HD2 LYS A 524 -16.319 -5.329 -1.007 1.00 2.09 H new ATOM 0 HD3 LYS A 524 -17.130 -6.083 -2.366 1.00 2.09 H new ATOM 0 HE2 LYS A 524 -17.525 -7.358 -0.301 1.00 2.33 H new ATOM 0 HE3 LYS A 524 -16.639 -8.322 -1.466 1.00 2.33 H new ATOM 0 HZ1 LYS A 524 -15.913 -7.946 1.099 1.00 2.48 H new ATOM 0 HZ2 LYS A 524 -14.859 -8.431 -0.141 1.00 2.48 H new ATOM 0 HZ3 LYS A 524 -14.944 -6.796 0.311 1.00 2.48 H new ATOM 216 N LEU A 525 -13.470 -2.130 -3.541 1.00 1.21 N ATOM 217 CA LEU A 525 -12.457 -1.273 -4.146 1.00 1.06 C ATOM 218 C LEU A 525 -11.817 -0.369 -3.106 1.00 0.82 C ATOM 219 O LEU A 525 -10.595 -0.298 -3.006 1.00 0.67 O ATOM 220 CB LEU A 525 -13.053 -0.412 -5.270 1.00 1.19 C ATOM 221 CG LEU A 525 -12.999 -1.020 -6.675 1.00 1.42 C ATOM 222 CD1 LEU A 525 -13.833 -2.284 -6.755 1.00 1.62 C ATOM 223 CD2 LEU A 525 -13.474 -0.005 -7.702 1.00 1.56 C ATOM 0 H LEU A 525 -14.412 -1.990 -3.907 1.00 1.21 H new ATOM 0 HA LEU A 525 -11.695 -1.927 -4.570 1.00 1.06 H new ATOM 0 HB2 LEU A 525 -14.094 -0.200 -5.026 1.00 1.19 H new ATOM 0 HB3 LEU A 525 -12.528 0.543 -5.287 1.00 1.19 H new ATOM 0 HG LEU A 525 -11.965 -1.286 -6.893 1.00 1.42 H new ATOM 0 HD11 LEU A 525 -13.776 -2.694 -7.763 1.00 1.62 H new ATOM 0 HD12 LEU A 525 -13.452 -3.017 -6.043 1.00 1.62 H new ATOM 0 HD13 LEU A 525 -14.871 -2.051 -6.516 1.00 1.62 H new ATOM 0 HD21 LEU A 525 -13.432 -0.447 -8.697 1.00 1.56 H new ATOM 0 HD22 LEU A 525 -14.500 0.287 -7.478 1.00 1.56 H new ATOM 0 HD23 LEU A 525 -12.831 0.875 -7.668 1.00 1.56 H new ATOM 235 N THR A 526 -12.645 0.295 -2.313 1.00 0.84 N ATOM 236 CA THR A 526 -12.151 1.241 -1.324 1.00 0.73 C ATOM 237 C THR A 526 -11.314 0.522 -0.263 1.00 0.62 C ATOM 238 O THR A 526 -10.304 1.052 0.212 1.00 0.52 O ATOM 239 CB THR A 526 -13.313 2.035 -0.666 1.00 0.91 C ATOM 240 OG1 THR A 526 -12.799 3.195 -0.004 1.00 1.14 O ATOM 241 CG2 THR A 526 -14.090 1.191 0.335 1.00 1.40 C ATOM 0 H THR A 526 -13.660 0.196 -2.335 1.00 0.84 H new ATOM 0 HA THR A 526 -11.513 1.959 -1.839 1.00 0.73 H new ATOM 0 HB THR A 526 -13.996 2.327 -1.464 1.00 0.91 H new ATOM 0 HG1 THR A 526 -13.537 3.691 0.407 1.00 1.14 H new ATOM 0 HG21 THR A 526 -14.892 1.788 0.769 1.00 1.40 H new ATOM 0 HG22 THR A 526 -14.516 0.325 -0.172 1.00 1.40 H new ATOM 0 HG23 THR A 526 -13.419 0.855 1.126 1.00 1.40 H new ATOM 249 N LYS A 527 -11.716 -0.699 0.078 1.00 0.72 N ATOM 250 CA LYS A 527 -10.970 -1.505 1.028 1.00 0.71 C ATOM 251 C LYS A 527 -9.633 -1.924 0.430 1.00 0.55 C ATOM 252 O LYS A 527 -8.589 -1.760 1.060 1.00 0.47 O ATOM 253 CB LYS A 527 -11.780 -2.738 1.445 1.00 0.91 C ATOM 254 CG LYS A 527 -11.021 -3.700 2.344 1.00 1.04 C ATOM 255 CD LYS A 527 -10.610 -3.044 3.653 1.00 1.12 C ATOM 256 CE LYS A 527 -11.813 -2.668 4.501 1.00 1.24 C ATOM 257 NZ LYS A 527 -11.403 -2.030 5.775 1.00 1.60 N ATOM 0 H LYS A 527 -12.554 -1.148 -0.291 1.00 0.72 H new ATOM 0 HA LYS A 527 -10.781 -0.903 1.917 1.00 0.71 H new ATOM 0 HB2 LYS A 527 -12.682 -2.410 1.961 1.00 0.91 H new ATOM 0 HB3 LYS A 527 -12.100 -3.270 0.549 1.00 0.91 H new ATOM 0 HG2 LYS A 527 -11.643 -4.570 2.553 1.00 1.04 H new ATOM 0 HG3 LYS A 527 -10.134 -4.061 1.824 1.00 1.04 H new ATOM 0 HD2 LYS A 527 -9.969 -3.724 4.214 1.00 1.12 H new ATOM 0 HD3 LYS A 527 -10.021 -2.151 3.442 1.00 1.12 H new ATOM 0 HE2 LYS A 527 -12.455 -1.987 3.942 1.00 1.24 H new ATOM 0 HE3 LYS A 527 -12.403 -3.560 4.713 1.00 1.24 H new ATOM 0 HZ1 LYS A 527 -12.249 -1.786 6.329 1.00 1.60 H new ATOM 0 HZ2 LYS A 527 -10.811 -2.690 6.319 1.00 1.60 H new ATOM 0 HZ3 LYS A 527 -10.861 -1.166 5.572 1.00 1.60 H new ATOM 271 N GLN A 528 -9.673 -2.433 -0.799 1.00 0.59 N ATOM 272 CA GLN A 528 -8.462 -2.881 -1.472 1.00 0.55 C ATOM 273 C GLN A 528 -7.486 -1.729 -1.660 1.00 0.40 C ATOM 274 O GLN A 528 -6.283 -1.922 -1.536 1.00 0.37 O ATOM 275 CB GLN A 528 -8.784 -3.520 -2.824 1.00 0.75 C ATOM 276 CG GLN A 528 -9.476 -4.870 -2.711 1.00 1.38 C ATOM 277 CD GLN A 528 -9.695 -5.528 -4.060 1.00 1.87 C ATOM 278 OE1 GLN A 528 -8.919 -5.328 -4.997 1.00 2.56 O ATOM 279 NE2 GLN A 528 -10.746 -6.328 -4.167 1.00 2.33 N ATOM 0 H GLN A 528 -10.527 -2.544 -1.345 1.00 0.59 H new ATOM 0 HA GLN A 528 -7.995 -3.634 -0.837 1.00 0.55 H new ATOM 0 HB2 GLN A 528 -9.419 -2.842 -3.395 1.00 0.75 H new ATOM 0 HB3 GLN A 528 -7.859 -3.641 -3.388 1.00 0.75 H new ATOM 0 HG2 GLN A 528 -8.878 -5.529 -2.082 1.00 1.38 H new ATOM 0 HG3 GLN A 528 -10.437 -4.741 -2.214 1.00 1.38 H new ATOM 0 HE21 GLN A 528 -11.364 -6.467 -3.368 1.00 2.33 H new ATOM 0 HE22 GLN A 528 -10.937 -6.805 -5.048 1.00 2.33 H new ATOM 288 N LEU A 529 -8.005 -0.537 -1.944 1.00 0.37 N ATOM 289 CA LEU A 529 -7.167 0.648 -2.105 1.00 0.33 C ATOM 290 C LEU A 529 -6.397 0.943 -0.824 1.00 0.22 C ATOM 291 O LEU A 529 -5.189 1.178 -0.852 1.00 0.26 O ATOM 292 CB LEU A 529 -8.024 1.864 -2.452 1.00 0.43 C ATOM 293 CG LEU A 529 -8.696 1.833 -3.820 1.00 0.58 C ATOM 294 CD1 LEU A 529 -9.675 2.984 -3.934 1.00 0.67 C ATOM 295 CD2 LEU A 529 -7.659 1.907 -4.927 1.00 0.69 C ATOM 0 H LEU A 529 -9.003 -0.366 -2.067 1.00 0.37 H new ATOM 0 HA LEU A 529 -6.464 0.449 -2.914 1.00 0.33 H new ATOM 0 HB2 LEU A 529 -8.797 1.969 -1.691 1.00 0.43 H new ATOM 0 HB3 LEU A 529 -7.398 2.754 -2.396 1.00 0.43 H new ATOM 0 HG LEU A 529 -9.238 0.893 -3.926 1.00 0.58 H new ATOM 0 HD11 LEU A 529 -10.154 2.959 -4.913 1.00 0.67 H new ATOM 0 HD12 LEU A 529 -10.434 2.895 -3.157 1.00 0.67 H new ATOM 0 HD13 LEU A 529 -9.143 3.928 -3.814 1.00 0.67 H new ATOM 0 HD21 LEU A 529 -8.158 1.884 -5.896 1.00 0.69 H new ATOM 0 HD22 LEU A 529 -7.092 2.833 -4.833 1.00 0.69 H new ATOM 0 HD23 LEU A 529 -6.981 1.057 -4.848 1.00 0.69 H new ATOM 307 N LYS A 530 -7.103 0.907 0.298 1.00 0.23 N ATOM 308 CA LYS A 530 -6.489 1.186 1.592 1.00 0.30 C ATOM 309 C LYS A 530 -5.481 0.108 1.969 1.00 0.24 C ATOM 310 O LYS A 530 -4.350 0.411 2.352 1.00 0.29 O ATOM 311 CB LYS A 530 -7.552 1.308 2.682 1.00 0.47 C ATOM 312 CG LYS A 530 -8.506 2.469 2.470 1.00 1.14 C ATOM 313 CD LYS A 530 -9.440 2.635 3.657 1.00 1.72 C ATOM 314 CE LYS A 530 -10.415 3.783 3.463 1.00 2.36 C ATOM 315 NZ LYS A 530 -11.341 3.534 2.328 1.00 2.78 N ATOM 0 H LYS A 530 -8.098 0.688 0.340 1.00 0.23 H new ATOM 0 HA LYS A 530 -5.961 2.136 1.506 1.00 0.30 H new ATOM 0 HB2 LYS A 530 -8.124 0.381 2.726 1.00 0.47 H new ATOM 0 HB3 LYS A 530 -7.059 1.424 3.647 1.00 0.47 H new ATOM 0 HG2 LYS A 530 -7.938 3.387 2.319 1.00 1.14 H new ATOM 0 HG3 LYS A 530 -9.090 2.303 1.565 1.00 1.14 H new ATOM 0 HD2 LYS A 530 -9.996 1.710 3.812 1.00 1.72 H new ATOM 0 HD3 LYS A 530 -8.852 2.808 4.558 1.00 1.72 H new ATOM 0 HE2 LYS A 530 -10.991 3.929 4.377 1.00 2.36 H new ATOM 0 HE3 LYS A 530 -9.861 4.705 3.285 1.00 2.36 H new ATOM 0 HZ1 LYS A 530 -12.094 4.251 2.331 1.00 2.78 H new ATOM 0 HZ2 LYS A 530 -10.815 3.588 1.432 1.00 2.78 H new ATOM 0 HZ3 LYS A 530 -11.763 2.588 2.425 1.00 2.78 H new ATOM 329 N GLU A 531 -5.884 -1.152 1.839 1.00 0.21 N ATOM 330 CA GLU A 531 -5.020 -2.268 2.211 1.00 0.26 C ATOM 331 C GLU A 531 -3.822 -2.360 1.272 1.00 0.23 C ATOM 332 O GLU A 531 -2.715 -2.697 1.694 1.00 0.26 O ATOM 333 CB GLU A 531 -5.805 -3.583 2.226 1.00 0.37 C ATOM 334 CG GLU A 531 -7.068 -3.498 3.065 1.00 0.50 C ATOM 335 CD GLU A 531 -7.318 -4.735 3.897 1.00 0.68 C ATOM 336 OE1 GLU A 531 -7.842 -5.727 3.342 1.00 0.98 O ATOM 337 OE2 GLU A 531 -6.980 -4.735 5.099 1.00 1.00 O ATOM 0 H GLU A 531 -6.799 -1.426 1.481 1.00 0.21 H new ATOM 0 HA GLU A 531 -4.647 -2.087 3.219 1.00 0.26 H new ATOM 0 HB2 GLU A 531 -6.069 -3.856 1.204 1.00 0.37 H new ATOM 0 HB3 GLU A 531 -5.168 -4.378 2.614 1.00 0.37 H new ATOM 0 HG2 GLU A 531 -7.000 -2.633 3.724 1.00 0.50 H new ATOM 0 HG3 GLU A 531 -7.922 -3.332 2.408 1.00 0.50 H new ATOM 344 N GLN A 532 -4.044 -2.045 0.002 1.00 0.23 N ATOM 345 CA GLN A 532 -2.961 -1.990 -0.970 1.00 0.32 C ATOM 346 C GLN A 532 -1.944 -0.935 -0.560 1.00 0.33 C ATOM 347 O GLN A 532 -0.745 -1.145 -0.673 1.00 0.41 O ATOM 348 CB GLN A 532 -3.505 -1.680 -2.371 1.00 0.40 C ATOM 349 CG GLN A 532 -2.436 -1.393 -3.424 1.00 0.97 C ATOM 350 CD GLN A 532 -1.526 -2.577 -3.702 1.00 1.51 C ATOM 351 OE1 GLN A 532 -1.262 -3.400 -2.829 1.00 2.20 O ATOM 352 NE2 GLN A 532 -1.049 -2.675 -4.928 1.00 2.06 N ATOM 0 H GLN A 532 -4.964 -1.824 -0.378 1.00 0.23 H new ATOM 0 HA GLN A 532 -2.473 -2.964 -0.997 1.00 0.32 H new ATOM 0 HB2 GLN A 532 -4.108 -2.524 -2.706 1.00 0.40 H new ATOM 0 HB3 GLN A 532 -4.170 -0.819 -2.305 1.00 0.40 H new ATOM 0 HG2 GLN A 532 -2.923 -1.093 -4.352 1.00 0.97 H new ATOM 0 HG3 GLN A 532 -1.830 -0.549 -3.095 1.00 0.97 H new ATOM 0 HE21 GLN A 532 -1.290 -1.972 -5.627 1.00 2.06 H new ATOM 0 HE22 GLN A 532 -0.439 -3.454 -5.177 1.00 2.06 H new ATOM 361 N THR A 533 -2.432 0.186 -0.053 1.00 0.29 N ATOM 362 CA THR A 533 -1.561 1.273 0.347 1.00 0.36 C ATOM 363 C THR A 533 -0.711 0.898 1.562 1.00 0.35 C ATOM 364 O THR A 533 0.489 1.158 1.575 1.00 0.41 O ATOM 365 CB THR A 533 -2.361 2.554 0.646 1.00 0.41 C ATOM 366 OG1 THR A 533 -3.166 2.889 -0.493 1.00 0.45 O ATOM 367 CG2 THR A 533 -1.429 3.712 0.964 1.00 0.53 C ATOM 0 H THR A 533 -3.426 0.364 0.090 1.00 0.29 H new ATOM 0 HA THR A 533 -0.895 1.466 -0.494 1.00 0.36 H new ATOM 0 HB THR A 533 -2.997 2.372 1.513 1.00 0.41 H new ATOM 0 HG1 THR A 533 -4.025 2.421 -0.436 1.00 0.45 H new ATOM 0 HG21 THR A 533 -2.017 4.606 1.172 1.00 0.53 H new ATOM 0 HG22 THR A 533 -0.825 3.464 1.837 1.00 0.53 H new ATOM 0 HG23 THR A 533 -0.775 3.898 0.112 1.00 0.53 H new ATOM 375 N VAL A 534 -1.313 0.263 2.566 1.00 0.29 N ATOM 376 CA VAL A 534 -0.580 -0.057 3.789 1.00 0.32 C ATOM 377 C VAL A 534 0.543 -1.068 3.527 1.00 0.32 C ATOM 378 O VAL A 534 1.649 -0.925 4.056 1.00 0.35 O ATOM 379 CB VAL A 534 -1.501 -0.560 4.928 1.00 0.32 C ATOM 380 CG1 VAL A 534 -2.477 0.531 5.345 1.00 0.36 C ATOM 381 CG2 VAL A 534 -2.251 -1.818 4.526 1.00 0.28 C ATOM 0 H VAL A 534 -2.288 -0.035 2.559 1.00 0.29 H new ATOM 0 HA VAL A 534 -0.134 0.880 4.123 1.00 0.32 H new ATOM 0 HB VAL A 534 -0.868 -0.810 5.779 1.00 0.32 H new ATOM 0 HG11 VAL A 534 -3.116 0.160 6.146 1.00 0.36 H new ATOM 0 HG12 VAL A 534 -1.922 1.401 5.697 1.00 0.36 H new ATOM 0 HG13 VAL A 534 -3.093 0.814 4.491 1.00 0.36 H new ATOM 0 HG21 VAL A 534 -2.887 -2.141 5.350 1.00 0.28 H new ATOM 0 HG22 VAL A 534 -2.868 -1.610 3.652 1.00 0.28 H new ATOM 0 HG23 VAL A 534 -1.537 -2.607 4.287 1.00 0.28 H new ATOM 391 N GLU A 535 0.281 -2.073 2.696 1.00 0.29 N ATOM 392 CA GLU A 535 1.324 -3.015 2.324 1.00 0.32 C ATOM 393 C GLU A 535 2.316 -2.356 1.366 1.00 0.36 C ATOM 394 O GLU A 535 3.506 -2.646 1.401 1.00 0.39 O ATOM 395 CB GLU A 535 0.733 -4.283 1.699 1.00 0.34 C ATOM 396 CG GLU A 535 -0.068 -4.035 0.433 1.00 0.36 C ATOM 397 CD GLU A 535 -0.330 -5.302 -0.351 1.00 0.54 C ATOM 398 OE1 GLU A 535 -1.307 -6.013 -0.030 1.00 0.81 O ATOM 399 OE2 GLU A 535 0.430 -5.595 -1.295 1.00 0.69 O ATOM 0 H GLU A 535 -0.631 -2.252 2.275 1.00 0.29 H new ATOM 0 HA GLU A 535 1.853 -3.308 3.231 1.00 0.32 H new ATOM 0 HB2 GLU A 535 1.544 -4.976 1.473 1.00 0.34 H new ATOM 0 HB3 GLU A 535 0.091 -4.771 2.432 1.00 0.34 H new ATOM 0 HG2 GLU A 535 -1.019 -3.572 0.695 1.00 0.36 H new ATOM 0 HG3 GLU A 535 0.468 -3.327 -0.198 1.00 0.36 H new ATOM 406 N ARG A 536 1.818 -1.449 0.534 1.00 0.38 N ATOM 407 CA ARG A 536 2.653 -0.759 -0.442 1.00 0.44 C ATOM 408 C ARG A 536 3.618 0.214 0.228 1.00 0.46 C ATOM 409 O ARG A 536 4.775 0.294 -0.160 1.00 0.49 O ATOM 410 CB ARG A 536 1.775 -0.051 -1.478 1.00 0.49 C ATOM 411 CG ARG A 536 2.531 0.822 -2.461 1.00 0.59 C ATOM 412 CD ARG A 536 2.436 2.281 -2.063 1.00 0.65 C ATOM 413 NE ARG A 536 1.049 2.739 -2.029 1.00 0.70 N ATOM 414 CZ ARG A 536 0.656 3.974 -2.340 1.00 0.93 C ATOM 415 NH1 ARG A 536 1.536 4.862 -2.783 1.00 1.38 N ATOM 416 NH2 ARG A 536 -0.626 4.309 -2.232 1.00 0.94 N ATOM 0 H ARG A 536 0.836 -1.173 0.516 1.00 0.38 H new ATOM 0 HA ARG A 536 3.262 -1.503 -0.955 1.00 0.44 H new ATOM 0 HB2 ARG A 536 1.217 -0.803 -2.036 1.00 0.49 H new ATOM 0 HB3 ARG A 536 1.044 0.565 -0.954 1.00 0.49 H new ATOM 0 HG2 ARG A 536 3.577 0.517 -2.497 1.00 0.59 H new ATOM 0 HG3 ARG A 536 2.125 0.686 -3.463 1.00 0.59 H new ATOM 0 HD2 ARG A 536 2.891 2.422 -1.082 1.00 0.65 H new ATOM 0 HD3 ARG A 536 3.004 2.889 -2.768 1.00 0.65 H new ATOM 0 HE ARG A 536 0.333 2.069 -1.748 1.00 0.70 H new ATOM 0 HH11 ARG A 536 2.516 4.600 -2.886 1.00 1.38 H new ATOM 0 HH12 ARG A 536 1.232 5.806 -3.020 1.00 1.38 H new ATOM 0 HH21 ARG A 536 -1.308 3.621 -1.911 1.00 0.94 H new ATOM 0 HH22 ARG A 536 -0.928 5.254 -2.470 1.00 0.94 H new ATOM 430 N VAL A 537 3.152 0.955 1.227 1.00 0.45 N ATOM 431 CA VAL A 537 4.035 1.853 1.966 1.00 0.49 C ATOM 432 C VAL A 537 5.079 1.044 2.723 1.00 0.45 C ATOM 433 O VAL A 537 6.251 1.413 2.785 1.00 0.48 O ATOM 434 CB VAL A 537 3.272 2.780 2.942 1.00 0.51 C ATOM 435 CG1 VAL A 537 2.284 3.643 2.180 1.00 0.55 C ATOM 436 CG2 VAL A 537 2.555 1.988 4.028 1.00 0.47 C ATOM 0 H VAL A 537 2.182 0.954 1.542 1.00 0.45 H new ATOM 0 HA VAL A 537 4.520 2.498 1.233 1.00 0.49 H new ATOM 0 HB VAL A 537 4.005 3.421 3.432 1.00 0.51 H new ATOM 0 HG11 VAL A 537 1.753 4.291 2.878 1.00 0.55 H new ATOM 0 HG12 VAL A 537 2.819 4.254 1.453 1.00 0.55 H new ATOM 0 HG13 VAL A 537 1.568 3.005 1.661 1.00 0.55 H new ATOM 0 HG21 VAL A 537 2.031 2.674 4.693 1.00 0.47 H new ATOM 0 HG22 VAL A 537 1.837 1.309 3.569 1.00 0.47 H new ATOM 0 HG23 VAL A 537 3.283 1.413 4.600 1.00 0.47 H new ATOM 446 N THR A 538 4.640 -0.072 3.282 1.00 0.40 N ATOM 447 CA THR A 538 5.533 -1.013 3.929 1.00 0.38 C ATOM 448 C THR A 538 6.542 -1.571 2.917 1.00 0.36 C ATOM 449 O THR A 538 7.726 -1.738 3.220 1.00 0.34 O ATOM 450 CB THR A 538 4.715 -2.151 4.558 1.00 0.35 C ATOM 451 OG1 THR A 538 3.809 -1.618 5.533 1.00 0.36 O ATOM 452 CG2 THR A 538 5.612 -3.188 5.203 1.00 0.36 C ATOM 0 H THR A 538 3.658 -0.348 3.299 1.00 0.40 H new ATOM 0 HA THR A 538 6.087 -0.499 4.715 1.00 0.38 H new ATOM 0 HB THR A 538 4.152 -2.640 3.763 1.00 0.35 H new ATOM 0 HG1 THR A 538 3.024 -1.245 5.081 1.00 0.36 H new ATOM 0 HG21 THR A 538 5.000 -3.978 5.638 1.00 0.36 H new ATOM 0 HG22 THR A 538 6.275 -3.615 4.450 1.00 0.36 H new ATOM 0 HG23 THR A 538 6.207 -2.718 5.986 1.00 0.36 H new ATOM 460 N LEU A 539 6.064 -1.818 1.702 1.00 0.37 N ATOM 461 CA LEU A 539 6.904 -2.292 0.615 1.00 0.37 C ATOM 462 C LEU A 539 7.901 -1.204 0.220 1.00 0.38 C ATOM 463 O LEU A 539 9.081 -1.479 0.029 1.00 0.35 O ATOM 464 CB LEU A 539 6.011 -2.705 -0.571 1.00 0.42 C ATOM 465 CG LEU A 539 6.712 -3.161 -1.857 1.00 0.47 C ATOM 466 CD1 LEU A 539 7.095 -1.960 -2.697 1.00 0.52 C ATOM 467 CD2 LEU A 539 7.931 -4.019 -1.548 1.00 0.44 C ATOM 0 H LEU A 539 5.084 -1.695 1.446 1.00 0.37 H new ATOM 0 HA LEU A 539 7.476 -3.164 0.932 1.00 0.37 H new ATOM 0 HB2 LEU A 539 5.360 -3.513 -0.237 1.00 0.42 H new ATOM 0 HB3 LEU A 539 5.368 -1.860 -0.819 1.00 0.42 H new ATOM 0 HG LEU A 539 6.015 -3.776 -2.426 1.00 0.47 H new ATOM 0 HD11 LEU A 539 7.592 -2.296 -3.607 1.00 0.52 H new ATOM 0 HD12 LEU A 539 6.198 -1.399 -2.959 1.00 0.52 H new ATOM 0 HD13 LEU A 539 7.771 -1.320 -2.130 1.00 0.52 H new ATOM 0 HD21 LEU A 539 8.405 -4.326 -2.480 1.00 0.44 H new ATOM 0 HD22 LEU A 539 8.640 -3.443 -0.953 1.00 0.44 H new ATOM 0 HD23 LEU A 539 7.622 -4.903 -0.990 1.00 0.44 H new ATOM 479 N GLN A 540 7.420 0.030 0.108 1.00 0.43 N ATOM 480 CA GLN A 540 8.288 1.166 -0.198 1.00 0.45 C ATOM 481 C GLN A 540 9.384 1.312 0.849 1.00 0.35 C ATOM 482 O GLN A 540 10.496 1.733 0.543 1.00 0.30 O ATOM 483 CB GLN A 540 7.495 2.464 -0.285 1.00 0.58 C ATOM 484 CG GLN A 540 6.480 2.479 -1.410 1.00 0.69 C ATOM 485 CD GLN A 540 7.116 2.353 -2.781 1.00 0.73 C ATOM 486 OE1 GLN A 540 7.264 1.255 -3.313 1.00 1.05 O ATOM 487 NE2 GLN A 540 7.488 3.476 -3.366 1.00 1.55 N ATOM 0 H GLN A 540 6.436 0.271 0.224 1.00 0.43 H new ATOM 0 HA GLN A 540 8.744 0.969 -1.168 1.00 0.45 H new ATOM 0 HB2 GLN A 540 6.979 2.629 0.661 1.00 0.58 H new ATOM 0 HB3 GLN A 540 8.187 3.295 -0.420 1.00 0.58 H new ATOM 0 HG2 GLN A 540 5.774 1.661 -1.266 1.00 0.69 H new ATOM 0 HG3 GLN A 540 5.908 3.406 -1.364 1.00 0.69 H new ATOM 0 HE21 GLN A 540 7.348 4.368 -2.892 1.00 1.55 H new ATOM 0 HE22 GLN A 540 7.915 3.452 -4.292 1.00 1.55 H new ATOM 496 N ASN A 541 9.058 0.969 2.088 1.00 0.37 N ATOM 497 CA ASN A 541 10.042 0.962 3.167 1.00 0.34 C ATOM 498 C ASN A 541 11.129 -0.067 2.873 1.00 0.25 C ATOM 499 O ASN A 541 12.322 0.201 3.034 1.00 0.25 O ATOM 500 CB ASN A 541 9.372 0.639 4.506 1.00 0.42 C ATOM 501 CG ASN A 541 10.326 0.785 5.677 1.00 0.49 C ATOM 502 OD1 ASN A 541 11.046 -0.150 6.030 1.00 1.08 O ATOM 503 ND2 ASN A 541 10.323 1.955 6.298 1.00 1.21 N ATOM 0 H ASN A 541 8.119 0.691 2.373 1.00 0.37 H new ATOM 0 HA ASN A 541 10.491 1.953 3.232 1.00 0.34 H new ATOM 0 HB2 ASN A 541 8.518 1.300 4.651 1.00 0.42 H new ATOM 0 HB3 ASN A 541 8.985 -0.380 4.480 1.00 0.42 H new ATOM 0 HD21 ASN A 541 10.933 2.108 7.101 1.00 1.21 H new ATOM 0 HD22 ASN A 541 9.711 2.703 5.973 1.00 1.21 H new ATOM 510 N GLN A 542 10.707 -1.244 2.427 1.00 0.22 N ATOM 511 CA GLN A 542 11.635 -2.296 2.040 1.00 0.21 C ATOM 512 C GLN A 542 12.418 -1.875 0.799 1.00 0.18 C ATOM 513 O GLN A 542 13.601 -2.185 0.660 1.00 0.24 O ATOM 514 CB GLN A 542 10.881 -3.599 1.759 1.00 0.27 C ATOM 515 CG GLN A 542 9.975 -4.045 2.897 1.00 0.33 C ATOM 516 CD GLN A 542 9.196 -5.303 2.564 1.00 1.18 C ATOM 517 OE1 GLN A 542 8.060 -5.477 3.007 1.00 1.94 O ATOM 518 NE2 GLN A 542 9.810 -6.204 1.814 1.00 1.98 N ATOM 0 H GLN A 542 9.723 -1.493 2.325 1.00 0.22 H new ATOM 0 HA GLN A 542 12.330 -2.463 2.863 1.00 0.21 H new ATOM 0 HB2 GLN A 542 10.281 -3.473 0.858 1.00 0.27 H new ATOM 0 HB3 GLN A 542 11.604 -4.388 1.553 1.00 0.27 H new ATOM 0 HG2 GLN A 542 10.577 -4.220 3.788 1.00 0.33 H new ATOM 0 HG3 GLN A 542 9.277 -3.243 3.137 1.00 0.33 H new ATOM 0 HE21 GLN A 542 10.751 -6.022 1.466 1.00 1.98 H new ATOM 0 HE22 GLN A 542 9.342 -7.080 1.584 1.00 1.98 H new ATOM 527 N LEU A 543 11.744 -1.165 -0.100 1.00 0.19 N ATOM 528 CA LEU A 543 12.368 -0.659 -1.316 1.00 0.23 C ATOM 529 C LEU A 543 13.395 0.416 -0.971 1.00 0.16 C ATOM 530 O LEU A 543 14.417 0.549 -1.641 1.00 0.24 O ATOM 531 CB LEU A 543 11.296 -0.116 -2.273 1.00 0.34 C ATOM 532 CG LEU A 543 11.777 0.212 -3.693 1.00 0.46 C ATOM 533 CD1 LEU A 543 10.641 0.042 -4.686 1.00 0.61 C ATOM 534 CD2 LEU A 543 12.320 1.632 -3.774 1.00 0.43 C ATOM 0 H LEU A 543 10.757 -0.926 -0.007 1.00 0.19 H new ATOM 0 HA LEU A 543 12.888 -1.475 -1.818 1.00 0.23 H new ATOM 0 HB2 LEU A 543 10.492 -0.848 -2.342 1.00 0.34 H new ATOM 0 HB3 LEU A 543 10.869 0.787 -1.836 1.00 0.34 H new ATOM 0 HG LEU A 543 12.581 -0.480 -3.942 1.00 0.46 H new ATOM 0 HD11 LEU A 543 10.996 0.278 -5.689 1.00 0.61 H new ATOM 0 HD12 LEU A 543 10.286 -0.988 -4.660 1.00 0.61 H new ATOM 0 HD13 LEU A 543 9.824 0.714 -4.423 1.00 0.61 H new ATOM 0 HD21 LEU A 543 12.653 1.837 -4.791 1.00 0.43 H new ATOM 0 HD22 LEU A 543 11.536 2.338 -3.500 1.00 0.43 H new ATOM 0 HD23 LEU A 543 13.160 1.740 -3.088 1.00 0.43 H new ATOM 546 N GLN A 544 13.123 1.172 0.087 1.00 0.11 N ATOM 547 CA GLN A 544 14.076 2.138 0.605 1.00 0.20 C ATOM 548 C GLN A 544 15.359 1.426 1.015 1.00 0.29 C ATOM 549 O GLN A 544 16.460 1.852 0.670 1.00 0.37 O ATOM 550 CB GLN A 544 13.468 2.902 1.790 1.00 0.32 C ATOM 551 CG GLN A 544 14.493 3.622 2.650 1.00 0.49 C ATOM 552 CD GLN A 544 13.855 4.469 3.733 1.00 0.78 C ATOM 553 OE1 GLN A 544 14.398 4.608 4.832 1.00 1.34 O ATOM 554 NE2 GLN A 544 12.721 5.076 3.424 1.00 1.64 N ATOM 0 H GLN A 544 12.244 1.131 0.603 1.00 0.11 H new ATOM 0 HA GLN A 544 14.315 2.861 -0.175 1.00 0.20 H new ATOM 0 HB2 GLN A 544 12.751 3.630 1.411 1.00 0.32 H new ATOM 0 HB3 GLN A 544 12.912 2.202 2.414 1.00 0.32 H new ATOM 0 HG2 GLN A 544 15.155 2.888 3.111 1.00 0.49 H new ATOM 0 HG3 GLN A 544 15.112 4.256 2.016 1.00 0.49 H new ATOM 0 HE21 GLN A 544 12.302 4.937 2.505 1.00 1.64 H new ATOM 0 HE22 GLN A 544 12.266 5.684 4.105 1.00 1.64 H new ATOM 563 N GLN A 545 15.203 0.312 1.719 1.00 0.33 N ATOM 564 CA GLN A 545 16.341 -0.509 2.106 1.00 0.47 C ATOM 565 C GLN A 545 17.014 -1.090 0.863 1.00 0.50 C ATOM 566 O GLN A 545 18.230 -1.265 0.816 1.00 0.63 O ATOM 567 CB GLN A 545 15.896 -1.637 3.035 1.00 0.53 C ATOM 568 CG GLN A 545 15.091 -1.155 4.217 1.00 1.16 C ATOM 569 CD GLN A 545 15.839 -0.165 5.087 1.00 1.53 C ATOM 570 OE1 GLN A 545 17.065 -0.208 5.199 1.00 1.91 O ATOM 571 NE2 GLN A 545 15.104 0.744 5.705 1.00 2.20 N ATOM 0 H GLN A 545 14.300 -0.043 2.033 1.00 0.33 H new ATOM 0 HA GLN A 545 17.056 0.118 2.638 1.00 0.47 H new ATOM 0 HB2 GLN A 545 15.302 -2.353 2.467 1.00 0.53 H new ATOM 0 HB3 GLN A 545 16.776 -2.169 3.396 1.00 0.53 H new ATOM 0 HG2 GLN A 545 14.173 -0.691 3.858 1.00 1.16 H new ATOM 0 HG3 GLN A 545 14.799 -2.013 4.823 1.00 1.16 H new ATOM 0 HE21 GLN A 545 14.091 0.747 5.587 1.00 2.20 H new ATOM 0 HE22 GLN A 545 15.550 1.442 6.300 1.00 2.20 H new ATOM 580 N PHE A 546 16.196 -1.376 -0.141 1.00 0.42 N ATOM 581 CA PHE A 546 16.659 -1.943 -1.402 1.00 0.53 C ATOM 582 C PHE A 546 17.521 -0.947 -2.187 1.00 0.61 C ATOM 583 O PHE A 546 18.601 -1.297 -2.661 1.00 0.77 O ATOM 584 CB PHE A 546 15.434 -2.398 -2.211 1.00 0.54 C ATOM 585 CG PHE A 546 15.578 -2.327 -3.702 1.00 0.68 C ATOM 586 CD1 PHE A 546 16.279 -3.310 -4.379 1.00 0.93 C ATOM 587 CD2 PHE A 546 15.044 -1.272 -4.422 1.00 1.26 C ATOM 588 CE1 PHE A 546 16.437 -3.252 -5.744 1.00 1.03 C ATOM 589 CE2 PHE A 546 15.203 -1.207 -5.791 1.00 1.38 C ATOM 590 CZ PHE A 546 15.789 -2.197 -6.463 1.00 0.99 C ATOM 0 H PHE A 546 15.189 -1.221 -0.104 1.00 0.42 H new ATOM 0 HA PHE A 546 17.299 -2.802 -1.201 1.00 0.53 H new ATOM 0 HB2 PHE A 546 15.201 -3.426 -1.935 1.00 0.54 H new ATOM 0 HB3 PHE A 546 14.580 -1.788 -1.917 1.00 0.54 H new ATOM 0 HD1 PHE A 546 16.708 -4.134 -3.828 1.00 0.93 H new ATOM 0 HD2 PHE A 546 14.499 -0.494 -3.908 1.00 1.26 H new ATOM 0 HE1 PHE A 546 17.037 -3.986 -6.262 1.00 1.03 H new ATOM 0 HE2 PHE A 546 14.847 -0.339 -6.327 1.00 1.38 H new ATOM 0 HZ PHE A 546 15.775 -2.204 -7.543 1.00 0.99 H new ATOM 600 N LEU A 547 17.046 0.286 -2.328 1.00 0.53 N ATOM 601 CA LEU A 547 17.800 1.311 -3.040 1.00 0.64 C ATOM 602 C LEU A 547 19.098 1.639 -2.309 1.00 0.74 C ATOM 603 O LEU A 547 20.137 1.852 -2.935 1.00 0.89 O ATOM 604 CB LEU A 547 16.935 2.564 -3.262 1.00 0.59 C ATOM 605 CG LEU A 547 16.535 3.367 -2.019 1.00 0.50 C ATOM 606 CD1 LEU A 547 17.582 4.420 -1.689 1.00 0.66 C ATOM 607 CD2 LEU A 547 15.179 4.017 -2.227 1.00 0.46 C ATOM 0 H LEU A 547 16.147 0.599 -1.961 1.00 0.53 H new ATOM 0 HA LEU A 547 18.072 0.922 -4.021 1.00 0.64 H new ATOM 0 HB2 LEU A 547 17.472 3.231 -3.937 1.00 0.59 H new ATOM 0 HB3 LEU A 547 16.023 2.259 -3.775 1.00 0.59 H new ATOM 0 HG LEU A 547 16.470 2.679 -1.176 1.00 0.50 H new ATOM 0 HD11 LEU A 547 17.273 4.975 -0.803 1.00 0.66 H new ATOM 0 HD12 LEU A 547 18.539 3.934 -1.498 1.00 0.66 H new ATOM 0 HD13 LEU A 547 17.685 5.106 -2.529 1.00 0.66 H new ATOM 0 HD21 LEU A 547 14.907 4.584 -1.337 1.00 0.46 H new ATOM 0 HD22 LEU A 547 15.225 4.688 -3.085 1.00 0.46 H new ATOM 0 HD23 LEU A 547 14.430 3.246 -2.409 1.00 0.46 H new ATOM 619 N GLU A 548 19.037 1.671 -0.986 1.00 0.69 N ATOM 620 CA GLU A 548 20.235 1.857 -0.171 1.00 0.85 C ATOM 621 C GLU A 548 21.187 0.675 -0.340 1.00 0.97 C ATOM 622 O GLU A 548 22.406 0.843 -0.341 1.00 1.12 O ATOM 623 CB GLU A 548 19.878 2.051 1.305 1.00 0.87 C ATOM 624 CG GLU A 548 19.202 3.382 1.592 1.00 0.88 C ATOM 625 CD GLU A 548 18.955 3.611 3.070 1.00 1.55 C ATOM 626 OE1 GLU A 548 19.933 3.854 3.814 1.00 1.98 O ATOM 627 OE2 GLU A 548 17.787 3.573 3.497 1.00 2.23 O ATOM 0 H GLU A 548 18.174 1.571 -0.452 1.00 0.69 H new ATOM 0 HA GLU A 548 20.737 2.761 -0.516 1.00 0.85 H new ATOM 0 HB2 GLU A 548 19.220 1.242 1.621 1.00 0.87 H new ATOM 0 HB3 GLU A 548 20.786 1.976 1.904 1.00 0.87 H new ATOM 0 HG2 GLU A 548 19.822 4.190 1.203 1.00 0.88 H new ATOM 0 HG3 GLU A 548 18.252 3.424 1.059 1.00 0.88 H new ATOM 634 N ALA A 549 20.626 -0.521 -0.492 1.00 0.93 N ATOM 635 CA ALA A 549 21.425 -1.709 -0.766 1.00 1.09 C ATOM 636 C ALA A 549 22.192 -1.553 -2.074 1.00 1.20 C ATOM 637 O ALA A 549 23.349 -1.941 -2.168 1.00 1.35 O ATOM 638 CB ALA A 549 20.548 -2.953 -0.815 1.00 1.06 C ATOM 0 H ALA A 549 19.622 -0.692 -0.430 1.00 0.93 H new ATOM 0 HA ALA A 549 22.143 -1.825 0.046 1.00 1.09 H new ATOM 0 HB1 ALA A 549 21.167 -3.826 -1.021 1.00 1.06 H new ATOM 0 HB2 ALA A 549 20.046 -3.082 0.144 1.00 1.06 H new ATOM 0 HB3 ALA A 549 19.803 -2.842 -1.603 1.00 1.06 H new ATOM 644 N GLN A 550 21.545 -0.959 -3.073 1.00 1.15 N ATOM 645 CA GLN A 550 22.184 -0.700 -4.365 1.00 1.31 C ATOM 646 C GLN A 550 23.435 0.142 -4.187 1.00 1.43 C ATOM 647 O GLN A 550 24.392 0.029 -4.946 1.00 1.65 O ATOM 648 CB GLN A 550 21.227 0.035 -5.301 1.00 1.26 C ATOM 649 CG GLN A 550 19.960 -0.728 -5.606 1.00 1.20 C ATOM 650 CD GLN A 550 19.028 0.046 -6.516 1.00 1.71 C ATOM 651 OE1 GLN A 550 18.975 1.278 -6.470 1.00 2.38 O ATOM 652 NE2 GLN A 550 18.315 -0.666 -7.371 1.00 2.29 N ATOM 0 H GLN A 550 20.576 -0.646 -3.015 1.00 1.15 H new ATOM 0 HA GLN A 550 22.452 -1.663 -4.799 1.00 1.31 H new ATOM 0 HB2 GLN A 550 20.963 0.994 -4.855 1.00 1.26 H new ATOM 0 HB3 GLN A 550 21.744 0.250 -6.236 1.00 1.26 H new ATOM 0 HG2 GLN A 550 20.215 -1.679 -6.074 1.00 1.20 H new ATOM 0 HG3 GLN A 550 19.445 -0.960 -4.674 1.00 1.20 H new ATOM 0 HE21 GLN A 550 18.390 -1.683 -7.374 1.00 2.29 H new ATOM 0 HE22 GLN A 550 17.690 -0.198 -8.027 1.00 2.29 H new ATOM 661 N LYS A 551 23.405 0.996 -3.188 1.00 1.33 N ATOM 662 CA LYS A 551 24.542 1.841 -2.869 1.00 1.50 C ATOM 663 C LYS A 551 25.677 1.016 -2.277 1.00 1.72 C ATOM 664 O LYS A 551 26.779 0.988 -2.819 1.00 2.01 O ATOM 665 CB LYS A 551 24.113 2.938 -1.898 1.00 1.43 C ATOM 666 CG LYS A 551 23.135 3.942 -2.492 1.00 1.36 C ATOM 667 CD LYS A 551 23.847 4.935 -3.400 1.00 1.66 C ATOM 668 CE LYS A 551 22.926 6.050 -3.878 1.00 1.93 C ATOM 669 NZ LYS A 551 21.895 5.566 -4.833 1.00 2.36 N ATOM 0 H LYS A 551 22.600 1.126 -2.576 1.00 1.33 H new ATOM 0 HA LYS A 551 24.905 2.303 -3.787 1.00 1.50 H new ATOM 0 HB2 LYS A 551 23.657 2.476 -1.022 1.00 1.43 H new ATOM 0 HB3 LYS A 551 24.999 3.470 -1.552 1.00 1.43 H new ATOM 0 HG2 LYS A 551 22.367 3.414 -3.058 1.00 1.36 H new ATOM 0 HG3 LYS A 551 22.628 4.478 -1.690 1.00 1.36 H new ATOM 0 HD2 LYS A 551 24.692 5.370 -2.866 1.00 1.66 H new ATOM 0 HD3 LYS A 551 24.252 4.407 -4.263 1.00 1.66 H new ATOM 0 HE2 LYS A 551 22.435 6.505 -3.018 1.00 1.93 H new ATOM 0 HE3 LYS A 551 23.521 6.829 -4.355 1.00 1.93 H new ATOM 0 HZ1 LYS A 551 21.294 6.362 -5.128 1.00 2.36 H new ATOM 0 HZ2 LYS A 551 22.360 5.155 -5.668 1.00 2.36 H new ATOM 0 HZ3 LYS A 551 21.308 4.841 -4.372 1.00 2.36 H new ATOM 683 N SER A 552 25.396 0.321 -1.184 1.00 1.61 N ATOM 684 CA SER A 552 26.413 -0.455 -0.485 1.00 1.82 C ATOM 685 C SER A 552 26.929 -1.622 -1.332 1.00 1.95 C ATOM 686 O SER A 552 28.105 -1.984 -1.251 1.00 2.23 O ATOM 687 CB SER A 552 25.847 -0.976 0.834 1.00 1.69 C ATOM 688 OG SER A 552 25.269 0.076 1.589 1.00 1.76 O ATOM 0 H SER A 552 24.469 0.278 -0.760 1.00 1.61 H new ATOM 0 HA SER A 552 27.258 0.205 -0.290 1.00 1.82 H new ATOM 0 HB2 SER A 552 25.096 -1.741 0.635 1.00 1.69 H new ATOM 0 HB3 SER A 552 26.640 -1.450 1.412 1.00 1.69 H new ATOM 0 HG SER A 552 24.912 -0.282 2.428 1.00 1.76 H new ATOM 694 N GLU A 553 26.057 -2.206 -2.145 1.00 1.81 N ATOM 695 CA GLU A 553 26.439 -3.346 -2.970 1.00 2.00 C ATOM 696 C GLU A 553 26.999 -2.886 -4.308 1.00 2.25 C ATOM 697 O GLU A 553 27.790 -3.585 -4.936 1.00 2.55 O ATOM 698 CB GLU A 553 25.246 -4.272 -3.184 1.00 1.88 C ATOM 699 CG GLU A 553 24.673 -4.811 -1.886 1.00 1.75 C ATOM 700 CD GLU A 553 25.639 -5.702 -1.134 1.00 1.97 C ATOM 701 OE1 GLU A 553 25.653 -6.922 -1.392 1.00 2.46 O ATOM 702 OE2 GLU A 553 26.398 -5.183 -0.290 1.00 1.91 O ATOM 0 H GLU A 553 25.086 -1.911 -2.251 1.00 1.81 H new ATOM 0 HA GLU A 553 27.220 -3.897 -2.446 1.00 2.00 H new ATOM 0 HB2 GLU A 553 24.467 -3.733 -3.722 1.00 1.88 H new ATOM 0 HB3 GLU A 553 25.550 -5.107 -3.815 1.00 1.88 H new ATOM 0 HG2 GLU A 553 24.387 -3.975 -1.247 1.00 1.75 H new ATOM 0 HG3 GLU A 553 23.764 -5.372 -2.103 1.00 1.75 H new ATOM 709 N GLY A 554 26.591 -1.698 -4.734 1.00 2.16 N ATOM 710 CA GLY A 554 27.041 -1.168 -6.005 1.00 2.43 C ATOM 711 C GLY A 554 28.400 -0.510 -5.907 1.00 2.68 C ATOM 712 O GLY A 554 29.191 -0.566 -6.844 1.00 2.98 O ATOM 0 H GLY A 554 25.954 -1.090 -4.219 1.00 2.16 H new ATOM 0 HA2 GLY A 554 27.083 -1.974 -6.737 1.00 2.43 H new ATOM 0 HA3 GLY A 554 26.315 -0.442 -6.371 1.00 2.43 H new ATOM 716 N LYS A 555 28.670 0.116 -4.763 1.00 2.59 N ATOM 717 CA LYS A 555 29.964 0.758 -4.519 1.00 2.88 C ATOM 718 C LYS A 555 31.101 -0.266 -4.509 1.00 3.09 C ATOM 719 O LYS A 555 32.276 0.090 -4.619 1.00 3.44 O ATOM 720 CB LYS A 555 29.934 1.529 -3.197 1.00 2.82 C ATOM 721 CG LYS A 555 29.838 0.648 -1.962 1.00 2.71 C ATOM 722 CD LYS A 555 29.665 1.477 -0.699 1.00 2.71 C ATOM 723 CE LYS A 555 30.867 2.375 -0.440 1.00 2.99 C ATOM 724 NZ LYS A 555 32.056 1.598 -0.008 1.00 3.58 N ATOM 0 H LYS A 555 28.011 0.193 -3.989 1.00 2.59 H new ATOM 0 HA LYS A 555 30.149 1.457 -5.334 1.00 2.88 H new ATOM 0 HB2 LYS A 555 30.834 2.139 -3.125 1.00 2.82 H new ATOM 0 HB3 LYS A 555 29.086 2.213 -3.208 1.00 2.82 H new ATOM 0 HG2 LYS A 555 28.997 -0.037 -2.067 1.00 2.71 H new ATOM 0 HG3 LYS A 555 30.737 0.038 -1.878 1.00 2.71 H new ATOM 0 HD2 LYS A 555 28.767 2.089 -0.786 1.00 2.71 H new ATOM 0 HD3 LYS A 555 29.517 0.814 0.153 1.00 2.71 H new ATOM 0 HE2 LYS A 555 31.107 2.931 -1.346 1.00 2.99 H new ATOM 0 HE3 LYS A 555 30.614 3.108 0.326 1.00 2.99 H new ATOM 0 HZ1 LYS A 555 32.826 2.251 0.239 1.00 3.58 H new ATOM 0 HZ2 LYS A 555 31.811 1.021 0.822 1.00 3.58 H new ATOM 0 HZ3 LYS A 555 32.365 0.976 -0.783 1.00 3.58 H new ATOM 738 N SER A 556 30.742 -1.532 -4.364 1.00 2.91 N ATOM 739 CA SER A 556 31.709 -2.613 -4.413 1.00 3.12 C ATOM 740 C SER A 556 31.699 -3.248 -5.799 1.00 3.40 C ATOM 741 O SER A 556 30.877 -4.119 -6.098 1.00 3.67 O ATOM 742 CB SER A 556 31.398 -3.658 -3.339 1.00 2.84 C ATOM 743 OG SER A 556 32.428 -4.628 -3.260 1.00 3.07 O ATOM 0 H SER A 556 29.780 -1.836 -4.210 1.00 2.91 H new ATOM 0 HA SER A 556 32.703 -2.211 -4.216 1.00 3.12 H new ATOM 0 HB2 SER A 556 31.281 -3.168 -2.373 1.00 2.84 H new ATOM 0 HB3 SER A 556 30.450 -4.146 -3.566 1.00 2.84 H new ATOM 0 HG SER A 556 32.207 -5.284 -2.566 1.00 3.07 H new ATOM 749 N LEU A 557 32.603 -2.787 -6.647 1.00 3.70 N ATOM 750 CA LEU A 557 32.700 -3.281 -8.010 1.00 4.05 C ATOM 751 C LEU A 557 33.590 -4.515 -8.072 1.00 4.48 C ATOM 752 O LEU A 557 33.316 -5.410 -8.894 1.00 4.98 O ATOM 753 CB LEU A 557 33.203 -2.175 -8.954 1.00 4.73 C ATOM 754 CG LEU A 557 34.431 -1.380 -8.479 1.00 5.04 C ATOM 755 CD1 LEU A 557 35.726 -2.130 -8.764 1.00 5.74 C ATOM 756 CD2 LEU A 557 34.454 -0.003 -9.126 1.00 5.35 C ATOM 757 OXT LEU A 557 34.542 -4.604 -7.265 1.00 4.73 O ATOM 0 H LEU A 557 33.285 -2.066 -6.413 1.00 3.70 H new ATOM 0 HA LEU A 557 31.705 -3.574 -8.344 1.00 4.05 H new ATOM 0 HB2 LEU A 557 33.440 -2.628 -9.916 1.00 4.73 H new ATOM 0 HB3 LEU A 557 32.386 -1.473 -9.125 1.00 4.73 H new ATOM 0 HG LEU A 557 34.353 -1.258 -7.399 1.00 5.04 H new ATOM 0 HD11 LEU A 557 36.573 -1.539 -8.415 1.00 5.74 H new ATOM 0 HD12 LEU A 557 35.714 -3.088 -8.244 1.00 5.74 H new ATOM 0 HD13 LEU A 557 35.819 -2.300 -9.837 1.00 5.74 H new ATOM 0 HD21 LEU A 557 35.329 0.547 -8.780 1.00 5.35 H new ATOM 0 HD22 LEU A 557 34.499 -0.111 -10.210 1.00 5.35 H new ATOM 0 HD23 LEU A 557 33.551 0.543 -8.853 1.00 5.35 H new TER 769 LEU A 557