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 514 THR OG1 : rot 180:sc= 0.0128 USER MOD Set 1.2: A 515 CYS SG : rot 103:sc= 0.0975 USER MOD Single : A 511 SER OG : rot 180:sc= 0 USER MOD Single : A 516 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 517 SER OG : rot 180:sc= 0 USER MOD Single : A 520 SER OG : rot 180:sc= 0 USER MOD Single : A 521 GLN : amide:sc= -2.86! K(o=-2.9!,f=-0.65) USER MOD Single : A 524 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0476) USER MOD Single : A 526 THR OG1 : rot 180:sc= 0 USER MOD Single : A 527 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 528 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 530 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0412) USER MOD Single : A 532 GLN : amide:sc= -0.454 X(o=-0.45,f=-0.33) USER MOD Single : A 533 THR OG1 : rot 79:sc= 1.27 USER MOD Single : A 538 THR OG1 : rot 85:sc= 1.27 USER MOD Single : A 540 GLN : amide:sc= -0.0621 K(o=-0.062,f=-0.82) USER MOD Single : A 541 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 542 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 544 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 545 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 550 GLN : amide:sc= -1.08 K(o=-1.1,f=-5.9!) USER MOD Single : A 551 LYS NZ :NH3+ -162:sc= -0.0985 (180deg=-0.401) USER MOD Single : A 552 SER OG : rot 79:sc= 0.163 USER MOD Single : A 555 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0136) USER MOD Single : A 556 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 510 -36.390 -0.855 3.967 1.00 9.10 N ATOM 2 CA GLY A 510 -36.861 -0.748 2.565 1.00 8.55 C ATOM 3 C GLY A 510 -36.003 0.192 1.744 1.00 7.83 C ATOM 4 O GLY A 510 -35.685 -0.089 0.591 1.00 8.04 O ATOM 0 HA2 GLY A 510 -36.856 -1.736 2.105 1.00 8.55 H new ATOM 0 HA3 GLY A 510 -37.893 -0.397 2.556 1.00 8.55 H new ATOM 10 N SER A 511 -35.620 1.310 2.340 1.00 7.22 N ATOM 11 CA SER A 511 -34.818 2.309 1.650 1.00 6.73 C ATOM 12 C SER A 511 -33.447 2.454 2.299 1.00 6.19 C ATOM 13 O SER A 511 -32.678 3.353 1.957 1.00 5.90 O ATOM 14 CB SER A 511 -35.552 3.647 1.670 1.00 6.95 C ATOM 15 OG SER A 511 -35.983 3.962 2.985 1.00 7.47 O ATOM 0 H SER A 511 -35.852 1.549 3.304 1.00 7.22 H new ATOM 0 HA SER A 511 -34.669 1.987 0.619 1.00 6.73 H new ATOM 0 HB2 SER A 511 -34.895 4.434 1.299 1.00 6.95 H new ATOM 0 HB3 SER A 511 -36.411 3.607 1.000 1.00 6.95 H new ATOM 0 HG SER A 511 -36.450 4.824 2.979 1.00 7.47 H new ATOM 21 N VAL A 512 -33.140 1.567 3.235 1.00 6.20 N ATOM 22 CA VAL A 512 -31.893 1.651 3.979 1.00 5.78 C ATOM 23 C VAL A 512 -30.903 0.599 3.506 1.00 5.49 C ATOM 24 O VAL A 512 -29.799 0.927 3.083 1.00 5.11 O ATOM 25 CB VAL A 512 -32.123 1.490 5.497 1.00 6.06 C ATOM 26 CG1 VAL A 512 -30.798 1.469 6.246 1.00 5.88 C ATOM 27 CG2 VAL A 512 -33.016 2.604 6.022 1.00 6.40 C ATOM 0 H VAL A 512 -33.737 0.782 3.496 1.00 6.20 H new ATOM 0 HA VAL A 512 -31.481 2.643 3.792 1.00 5.78 H new ATOM 0 HB VAL A 512 -32.624 0.537 5.666 1.00 6.06 H new ATOM 0 HG11 VAL A 512 -30.985 1.355 7.314 1.00 5.88 H new ATOM 0 HG12 VAL A 512 -30.193 0.634 5.892 1.00 5.88 H new ATOM 0 HG13 VAL A 512 -30.265 2.403 6.069 1.00 5.88 H new ATOM 0 HG21 VAL A 512 -33.167 2.474 7.094 1.00 6.40 H new ATOM 0 HG22 VAL A 512 -32.542 3.568 5.836 1.00 6.40 H new ATOM 0 HG23 VAL A 512 -33.979 2.569 5.513 1.00 6.40 H new ATOM 37 N GLU A 513 -31.321 -0.659 3.551 1.00 5.73 N ATOM 38 CA GLU A 513 -30.442 -1.783 3.253 1.00 5.58 C ATOM 39 C GLU A 513 -29.893 -1.718 1.829 1.00 5.26 C ATOM 40 O GLU A 513 -28.755 -2.114 1.584 1.00 4.95 O ATOM 41 CB GLU A 513 -31.169 -3.113 3.470 1.00 6.03 C ATOM 42 CG GLU A 513 -32.523 -3.216 2.777 1.00 6.54 C ATOM 43 CD GLU A 513 -33.655 -2.614 3.588 1.00 7.02 C ATOM 44 OE1 GLU A 513 -33.829 -1.377 3.546 1.00 7.27 O ATOM 45 OE2 GLU A 513 -34.379 -3.371 4.268 1.00 7.40 O ATOM 0 H GLU A 513 -32.274 -0.929 3.794 1.00 5.73 H new ATOM 0 HA GLU A 513 -29.599 -1.718 3.941 1.00 5.58 H new ATOM 0 HB2 GLU A 513 -30.531 -3.923 3.115 1.00 6.03 H new ATOM 0 HB3 GLU A 513 -31.311 -3.264 4.540 1.00 6.03 H new ATOM 0 HG2 GLU A 513 -32.469 -2.714 1.811 1.00 6.54 H new ATOM 0 HG3 GLU A 513 -32.744 -4.265 2.579 1.00 6.54 H new ATOM 52 N THR A 514 -30.697 -1.210 0.905 1.00 5.38 N ATOM 53 CA THR A 514 -30.303 -1.131 -0.494 1.00 5.15 C ATOM 54 C THR A 514 -29.152 -0.147 -0.691 1.00 4.74 C ATOM 55 O THR A 514 -28.119 -0.494 -1.273 1.00 4.68 O ATOM 56 CB THR A 514 -31.499 -0.735 -1.376 1.00 5.39 C ATOM 57 OG1 THR A 514 -32.226 0.338 -0.759 1.00 5.70 O ATOM 58 CG2 THR A 514 -32.418 -1.925 -1.595 1.00 5.67 C ATOM 0 H THR A 514 -31.629 -0.845 1.101 1.00 5.38 H new ATOM 0 HA THR A 514 -29.959 -2.120 -0.796 1.00 5.15 H new ATOM 0 HB THR A 514 -31.123 -0.405 -2.344 1.00 5.39 H new ATOM 0 HG1 THR A 514 -32.985 0.587 -1.326 1.00 5.70 H new ATOM 0 HG21 THR A 514 -33.258 -1.625 -2.221 1.00 5.67 H new ATOM 0 HG22 THR A 514 -31.866 -2.725 -2.087 1.00 5.67 H new ATOM 0 HG23 THR A 514 -32.790 -2.279 -0.634 1.00 5.67 H new ATOM 66 N CYS A 515 -29.322 1.068 -0.187 1.00 4.56 N ATOM 67 CA CYS A 515 -28.280 2.085 -0.281 1.00 4.21 C ATOM 68 C CYS A 515 -27.108 1.718 0.625 1.00 3.93 C ATOM 69 O CYS A 515 -25.949 1.974 0.305 1.00 3.56 O ATOM 70 CB CYS A 515 -28.840 3.458 0.095 1.00 4.40 C ATOM 71 SG CYS A 515 -30.416 3.846 -0.705 1.00 4.96 S ATOM 0 H CYS A 515 -30.170 1.374 0.291 1.00 4.56 H new ATOM 0 HA CYS A 515 -27.924 2.131 -1.310 1.00 4.21 H new ATOM 0 HB2 CYS A 515 -28.971 3.503 1.176 1.00 4.40 H new ATOM 0 HB3 CYS A 515 -28.110 4.223 -0.170 1.00 4.40 H new ATOM 0 HG CYS A 515 -31.385 3.690 0.147 1.00 4.96 H new ATOM 77 N MET A 516 -27.413 1.090 1.748 1.00 4.13 N ATOM 78 CA MET A 516 -26.386 0.619 2.662 1.00 3.95 C ATOM 79 C MET A 516 -25.495 -0.410 1.972 1.00 3.70 C ATOM 80 O MET A 516 -24.294 -0.476 2.227 1.00 3.40 O ATOM 81 CB MET A 516 -27.034 0.021 3.913 1.00 4.28 C ATOM 82 CG MET A 516 -26.047 -0.483 4.949 1.00 4.27 C ATOM 83 SD MET A 516 -26.869 -1.176 6.396 1.00 4.83 S ATOM 84 CE MET A 516 -25.452 -1.656 7.382 1.00 5.80 C ATOM 0 H MET A 516 -28.367 0.894 2.050 1.00 4.13 H new ATOM 0 HA MET A 516 -25.764 1.462 2.962 1.00 3.95 H new ATOM 0 HB2 MET A 516 -27.672 0.776 4.373 1.00 4.28 H new ATOM 0 HB3 MET A 516 -27.681 -0.804 3.614 1.00 4.28 H new ATOM 0 HG2 MET A 516 -25.407 -1.242 4.499 1.00 4.27 H new ATOM 0 HG3 MET A 516 -25.399 0.337 5.260 1.00 4.27 H new ATOM 0 HE1 MET A 516 -25.793 -2.104 8.315 1.00 5.80 H new ATOM 0 HE2 MET A 516 -24.853 -2.380 6.830 1.00 5.80 H new ATOM 0 HE3 MET A 516 -24.847 -0.776 7.601 1.00 5.80 H new ATOM 94 N SER A 517 -26.087 -1.190 1.074 1.00 3.87 N ATOM 95 CA SER A 517 -25.351 -2.219 0.357 1.00 3.73 C ATOM 96 C SER A 517 -24.332 -1.594 -0.597 1.00 3.38 C ATOM 97 O SER A 517 -23.168 -1.994 -0.617 1.00 3.11 O ATOM 98 CB SER A 517 -26.321 -3.121 -0.418 1.00 4.09 C ATOM 99 OG SER A 517 -25.632 -4.158 -1.094 1.00 4.52 O ATOM 0 H SER A 517 -27.075 -1.127 0.827 1.00 3.87 H new ATOM 0 HA SER A 517 -24.811 -2.824 1.085 1.00 3.73 H new ATOM 0 HB2 SER A 517 -27.048 -3.553 0.270 1.00 4.09 H new ATOM 0 HB3 SER A 517 -26.880 -2.523 -1.138 1.00 4.09 H new ATOM 0 HG SER A 517 -26.275 -4.717 -1.578 1.00 4.52 H new ATOM 105 N LEU A 518 -24.761 -0.598 -1.374 1.00 3.41 N ATOM 106 CA LEU A 518 -23.863 0.049 -2.319 1.00 3.15 C ATOM 107 C LEU A 518 -22.758 0.810 -1.595 1.00 2.83 C ATOM 108 O LEU A 518 -21.597 0.762 -1.998 1.00 2.54 O ATOM 109 CB LEU A 518 -24.620 0.952 -3.314 1.00 3.32 C ATOM 110 CG LEU A 518 -25.675 1.911 -2.741 1.00 3.52 C ATOM 111 CD1 LEU A 518 -25.045 3.207 -2.246 1.00 3.34 C ATOM 112 CD2 LEU A 518 -26.739 2.205 -3.788 1.00 3.86 C ATOM 0 H LEU A 518 -25.712 -0.229 -1.365 1.00 3.41 H new ATOM 0 HA LEU A 518 -23.392 -0.738 -2.908 1.00 3.15 H new ATOM 0 HB2 LEU A 518 -23.884 1.546 -3.856 1.00 3.32 H new ATOM 0 HB3 LEU A 518 -25.111 0.309 -4.045 1.00 3.32 H new ATOM 0 HG LEU A 518 -26.141 1.423 -1.885 1.00 3.52 H new ATOM 0 HD11 LEU A 518 -25.822 3.860 -1.848 1.00 3.34 H new ATOM 0 HD12 LEU A 518 -24.322 2.984 -1.462 1.00 3.34 H new ATOM 0 HD13 LEU A 518 -24.541 3.706 -3.074 1.00 3.34 H new ATOM 0 HD21 LEU A 518 -27.481 2.886 -3.371 1.00 3.86 H new ATOM 0 HD22 LEU A 518 -26.274 2.665 -4.660 1.00 3.86 H new ATOM 0 HD23 LEU A 518 -27.225 1.275 -4.084 1.00 3.86 H new ATOM 124 N ALA A 519 -23.118 1.479 -0.510 1.00 2.92 N ATOM 125 CA ALA A 519 -22.148 2.193 0.311 1.00 2.71 C ATOM 126 C ALA A 519 -21.140 1.227 0.929 1.00 2.50 C ATOM 127 O ALA A 519 -19.946 1.519 0.984 1.00 2.24 O ATOM 128 CB ALA A 519 -22.863 2.991 1.393 1.00 2.96 C ATOM 0 H ALA A 519 -24.079 1.543 -0.175 1.00 2.92 H new ATOM 0 HA ALA A 519 -21.599 2.885 -0.327 1.00 2.71 H new ATOM 0 HB1 ALA A 519 -22.129 3.520 2.000 1.00 2.96 H new ATOM 0 HB2 ALA A 519 -23.537 3.711 0.929 1.00 2.96 H new ATOM 0 HB3 ALA A 519 -23.436 2.314 2.026 1.00 2.96 H new ATOM 134 N SER A 520 -21.624 0.071 1.371 1.00 2.66 N ATOM 135 CA SER A 520 -20.765 -0.954 1.955 1.00 2.54 C ATOM 136 C SER A 520 -19.777 -1.472 0.912 1.00 2.31 C ATOM 137 O SER A 520 -18.609 -1.719 1.211 1.00 2.10 O ATOM 138 CB SER A 520 -21.621 -2.103 2.495 1.00 2.83 C ATOM 139 OG SER A 520 -20.878 -2.961 3.347 1.00 2.98 O ATOM 0 H SER A 520 -22.612 -0.181 1.336 1.00 2.66 H new ATOM 0 HA SER A 520 -20.200 -0.517 2.779 1.00 2.54 H new ATOM 0 HB2 SER A 520 -22.472 -1.696 3.042 1.00 2.83 H new ATOM 0 HB3 SER A 520 -22.024 -2.679 1.662 1.00 2.83 H new ATOM 0 HG SER A 520 -21.458 -3.681 3.673 1.00 2.98 H new ATOM 145 N GLN A 521 -20.255 -1.621 -0.320 1.00 2.40 N ATOM 146 CA GLN A 521 -19.406 -2.041 -1.427 1.00 2.26 C ATOM 147 C GLN A 521 -18.326 -1.000 -1.705 1.00 1.95 C ATOM 148 O GLN A 521 -17.160 -1.340 -1.868 1.00 1.75 O ATOM 149 CB GLN A 521 -20.234 -2.294 -2.681 1.00 2.49 C ATOM 150 CG GLN A 521 -21.188 -3.468 -2.548 1.00 2.84 C ATOM 151 CD GLN A 521 -22.145 -3.573 -3.715 1.00 3.23 C ATOM 152 OE1 GLN A 521 -21.865 -4.234 -4.715 1.00 3.85 O ATOM 153 NE2 GLN A 521 -23.292 -2.928 -3.593 1.00 3.40 N ATOM 0 H GLN A 521 -21.229 -1.456 -0.576 1.00 2.40 H new ATOM 0 HA GLN A 521 -18.921 -2.975 -1.142 1.00 2.26 H new ATOM 0 HB2 GLN A 521 -20.805 -1.396 -2.917 1.00 2.49 H new ATOM 0 HB3 GLN A 521 -19.562 -2.475 -3.520 1.00 2.49 H new ATOM 0 HG2 GLN A 521 -20.614 -4.391 -2.469 1.00 2.84 H new ATOM 0 HG3 GLN A 521 -21.757 -3.367 -1.624 1.00 2.84 H new ATOM 0 HE21 GLN A 521 -23.488 -2.391 -2.748 1.00 3.40 H new ATOM 0 HE22 GLN A 521 -23.982 -2.968 -4.343 1.00 3.40 H new ATOM 162 N VAL A 522 -18.719 0.269 -1.744 1.00 1.94 N ATOM 163 CA VAL A 522 -17.759 1.357 -1.913 1.00 1.71 C ATOM 164 C VAL A 522 -16.736 1.333 -0.781 1.00 1.52 C ATOM 165 O VAL A 522 -15.537 1.521 -1.001 1.00 1.28 O ATOM 166 CB VAL A 522 -18.456 2.735 -1.951 1.00 1.86 C ATOM 167 CG1 VAL A 522 -17.433 3.856 -2.064 1.00 1.69 C ATOM 168 CG2 VAL A 522 -19.447 2.798 -3.104 1.00 2.07 C ATOM 0 H VAL A 522 -19.690 0.570 -1.661 1.00 1.94 H new ATOM 0 HA VAL A 522 -17.257 1.206 -2.868 1.00 1.71 H new ATOM 0 HB VAL A 522 -19.002 2.867 -1.017 1.00 1.86 H new ATOM 0 HG11 VAL A 522 -17.947 4.817 -2.089 1.00 1.69 H new ATOM 0 HG12 VAL A 522 -16.763 3.825 -1.205 1.00 1.69 H new ATOM 0 HG13 VAL A 522 -16.855 3.730 -2.979 1.00 1.69 H new ATOM 0 HG21 VAL A 522 -19.929 3.775 -3.116 1.00 2.07 H new ATOM 0 HG22 VAL A 522 -18.920 2.641 -4.045 1.00 2.07 H new ATOM 0 HG23 VAL A 522 -20.202 2.022 -2.977 1.00 2.07 H new ATOM 178 N VAL A 523 -17.220 1.070 0.423 1.00 1.66 N ATOM 179 CA VAL A 523 -16.375 0.942 1.592 1.00 1.58 C ATOM 180 C VAL A 523 -15.382 -0.211 1.414 1.00 1.41 C ATOM 181 O VAL A 523 -14.214 -0.091 1.778 1.00 1.24 O ATOM 182 CB VAL A 523 -17.240 0.746 2.863 1.00 1.85 C ATOM 183 CG1 VAL A 523 -16.507 -0.047 3.926 1.00 1.86 C ATOM 184 CG2 VAL A 523 -17.687 2.092 3.412 1.00 1.98 C ATOM 0 H VAL A 523 -18.213 0.940 0.614 1.00 1.66 H new ATOM 0 HA VAL A 523 -15.801 1.861 1.712 1.00 1.58 H new ATOM 0 HB VAL A 523 -18.121 0.171 2.577 1.00 1.85 H new ATOM 0 HG11 VAL A 523 -17.148 -0.162 4.800 1.00 1.86 H new ATOM 0 HG12 VAL A 523 -16.249 -1.030 3.533 1.00 1.86 H new ATOM 0 HG13 VAL A 523 -15.596 0.480 4.210 1.00 1.86 H new ATOM 0 HG21 VAL A 523 -18.294 1.938 4.304 1.00 1.98 H new ATOM 0 HG22 VAL A 523 -16.812 2.690 3.667 1.00 1.98 H new ATOM 0 HG23 VAL A 523 -18.276 2.615 2.659 1.00 1.98 H new ATOM 194 N LYS A 524 -15.851 -1.310 0.829 1.00 1.52 N ATOM 195 CA LYS A 524 -14.993 -2.456 0.528 1.00 1.44 C ATOM 196 C LYS A 524 -13.892 -2.074 -0.455 1.00 1.21 C ATOM 197 O LYS A 524 -12.727 -2.416 -0.252 1.00 1.07 O ATOM 198 CB LYS A 524 -15.829 -3.602 -0.047 1.00 1.69 C ATOM 199 CG LYS A 524 -15.977 -4.778 0.891 1.00 1.91 C ATOM 200 CD LYS A 524 -16.737 -4.382 2.137 1.00 2.09 C ATOM 201 CE LYS A 524 -16.773 -5.518 3.146 1.00 2.33 C ATOM 202 NZ LYS A 524 -17.554 -6.675 2.638 1.00 2.48 N ATOM 0 H LYS A 524 -16.825 -1.433 0.552 1.00 1.52 H new ATOM 0 HA LYS A 524 -14.525 -2.781 1.457 1.00 1.44 H new ATOM 0 HB2 LYS A 524 -16.820 -3.225 -0.301 1.00 1.69 H new ATOM 0 HB3 LYS A 524 -15.370 -3.944 -0.975 1.00 1.69 H new ATOM 0 HG2 LYS A 524 -16.499 -5.589 0.384 1.00 1.91 H new ATOM 0 HG3 LYS A 524 -14.992 -5.156 1.166 1.00 1.91 H new ATOM 0 HD2 LYS A 524 -16.269 -3.507 2.588 1.00 2.09 H new ATOM 0 HD3 LYS A 524 -17.755 -4.098 1.870 1.00 2.09 H new ATOM 0 HE2 LYS A 524 -15.756 -5.836 3.373 1.00 2.33 H new ATOM 0 HE3 LYS A 524 -17.212 -5.163 4.079 1.00 2.33 H new ATOM 0 HZ1 LYS A 524 -17.658 -7.382 3.394 1.00 2.48 H new ATOM 0 HZ2 LYS A 524 -18.495 -6.352 2.334 1.00 2.48 H new ATOM 0 HZ3 LYS A 524 -17.057 -7.102 1.831 1.00 2.48 H new ATOM 216 N LEU A 525 -14.260 -1.349 -1.507 1.00 1.21 N ATOM 217 CA LEU A 525 -13.289 -0.894 -2.500 1.00 1.06 C ATOM 218 C LEU A 525 -12.288 0.062 -1.872 1.00 0.82 C ATOM 219 O LEU A 525 -11.092 -0.005 -2.153 1.00 0.67 O ATOM 220 CB LEU A 525 -13.975 -0.213 -3.691 1.00 1.19 C ATOM 221 CG LEU A 525 -14.452 -1.152 -4.805 1.00 1.42 C ATOM 222 CD1 LEU A 525 -15.612 -2.017 -4.345 1.00 1.62 C ATOM 223 CD2 LEU A 525 -14.841 -0.349 -6.036 1.00 1.56 C ATOM 0 H LEU A 525 -15.221 -1.064 -1.695 1.00 1.21 H new ATOM 0 HA LEU A 525 -12.764 -1.776 -2.866 1.00 1.06 H new ATOM 0 HB2 LEU A 525 -14.833 0.348 -3.321 1.00 1.19 H new ATOM 0 HB3 LEU A 525 -13.282 0.510 -4.121 1.00 1.19 H new ATOM 0 HG LEU A 525 -13.627 -1.817 -5.061 1.00 1.42 H new ATOM 0 HD11 LEU A 525 -15.924 -2.670 -5.160 1.00 1.62 H new ATOM 0 HD12 LEU A 525 -15.299 -2.622 -3.494 1.00 1.62 H new ATOM 0 HD13 LEU A 525 -16.446 -1.380 -4.050 1.00 1.62 H new ATOM 0 HD21 LEU A 525 -15.178 -1.026 -6.821 1.00 1.56 H new ATOM 0 HD22 LEU A 525 -15.646 0.341 -5.781 1.00 1.56 H new ATOM 0 HD23 LEU A 525 -13.978 0.215 -6.390 1.00 1.56 H new ATOM 235 N THR A 526 -12.780 0.930 -1.002 1.00 0.84 N ATOM 236 CA THR A 526 -11.953 1.891 -0.325 1.00 0.73 C ATOM 237 C THR A 526 -11.037 1.190 0.682 1.00 0.62 C ATOM 238 O THR A 526 -9.857 1.528 0.805 1.00 0.52 O ATOM 239 CB THR A 526 -12.854 2.941 0.354 1.00 0.91 C ATOM 240 OG1 THR A 526 -13.160 4.000 -0.567 1.00 1.14 O ATOM 241 CG2 THR A 526 -12.218 3.483 1.614 1.00 1.40 C ATOM 0 H THR A 526 -13.767 0.980 -0.751 1.00 0.84 H new ATOM 0 HA THR A 526 -11.310 2.400 -1.043 1.00 0.73 H new ATOM 0 HB THR A 526 -13.785 2.454 0.646 1.00 0.91 H new ATOM 0 HG1 THR A 526 -13.734 4.661 -0.127 1.00 1.14 H new ATOM 0 HG21 THR A 526 -12.880 4.221 2.067 1.00 1.40 H new ATOM 0 HG22 THR A 526 -12.049 2.667 2.316 1.00 1.40 H new ATOM 0 HG23 THR A 526 -11.266 3.953 1.368 1.00 1.40 H new ATOM 249 N LYS A 527 -11.579 0.191 1.374 1.00 0.72 N ATOM 250 CA LYS A 527 -10.800 -0.618 2.302 1.00 0.71 C ATOM 251 C LYS A 527 -9.713 -1.369 1.545 1.00 0.55 C ATOM 252 O LYS A 527 -8.566 -1.428 1.981 1.00 0.47 O ATOM 253 CB LYS A 527 -11.707 -1.611 3.038 1.00 0.91 C ATOM 254 CG LYS A 527 -10.999 -2.409 4.122 1.00 1.04 C ATOM 255 CD LYS A 527 -10.545 -1.516 5.264 1.00 1.12 C ATOM 256 CE LYS A 527 -11.726 -0.853 5.958 1.00 1.24 C ATOM 257 NZ LYS A 527 -11.288 0.052 7.052 1.00 1.60 N ATOM 0 H LYS A 527 -12.561 -0.077 1.307 1.00 0.72 H new ATOM 0 HA LYS A 527 -10.337 0.040 3.037 1.00 0.71 H new ATOM 0 HB2 LYS A 527 -12.537 -1.065 3.486 1.00 0.91 H new ATOM 0 HB3 LYS A 527 -12.135 -2.303 2.313 1.00 0.91 H new ATOM 0 HG2 LYS A 527 -11.669 -3.179 4.505 1.00 1.04 H new ATOM 0 HG3 LYS A 527 -10.137 -2.921 3.694 1.00 1.04 H new ATOM 0 HD2 LYS A 527 -9.982 -2.106 5.987 1.00 1.12 H new ATOM 0 HD3 LYS A 527 -9.870 -0.750 4.882 1.00 1.12 H new ATOM 0 HE2 LYS A 527 -12.305 -0.287 5.228 1.00 1.24 H new ATOM 0 HE3 LYS A 527 -12.386 -1.620 6.363 1.00 1.24 H new ATOM 0 HZ1 LYS A 527 -12.121 0.484 7.500 1.00 1.60 H new ATOM 0 HZ2 LYS A 527 -10.757 -0.493 7.761 1.00 1.60 H new ATOM 0 HZ3 LYS A 527 -10.679 0.799 6.662 1.00 1.60 H new ATOM 271 N GLN A 528 -10.087 -1.911 0.393 1.00 0.59 N ATOM 272 CA GLN A 528 -9.162 -2.642 -0.465 1.00 0.55 C ATOM 273 C GLN A 528 -8.020 -1.739 -0.915 1.00 0.40 C ATOM 274 O GLN A 528 -6.853 -2.123 -0.856 1.00 0.37 O ATOM 275 CB GLN A 528 -9.912 -3.178 -1.682 1.00 0.75 C ATOM 276 CG GLN A 528 -9.051 -3.986 -2.636 1.00 1.38 C ATOM 277 CD GLN A 528 -9.791 -4.326 -3.908 1.00 1.87 C ATOM 278 OE1 GLN A 528 -9.746 -3.581 -4.886 1.00 2.56 O ATOM 279 NE2 GLN A 528 -10.486 -5.451 -3.904 1.00 2.33 N ATOM 0 H GLN A 528 -11.038 -1.857 0.027 1.00 0.59 H new ATOM 0 HA GLN A 528 -8.741 -3.474 0.099 1.00 0.55 H new ATOM 0 HB2 GLN A 528 -10.739 -3.801 -1.340 1.00 0.75 H new ATOM 0 HB3 GLN A 528 -10.348 -2.339 -2.225 1.00 0.75 H new ATOM 0 HG2 GLN A 528 -8.150 -3.422 -2.879 1.00 1.38 H new ATOM 0 HG3 GLN A 528 -8.729 -4.905 -2.146 1.00 1.38 H new ATOM 0 HE21 GLN A 528 -10.497 -6.041 -3.072 1.00 2.33 H new ATOM 0 HE22 GLN A 528 -11.011 -5.729 -4.733 1.00 2.33 H new ATOM 288 N LEU A 529 -8.363 -0.531 -1.353 1.00 0.37 N ATOM 289 CA LEU A 529 -7.367 0.444 -1.773 1.00 0.33 C ATOM 290 C LEU A 529 -6.434 0.783 -0.619 1.00 0.22 C ATOM 291 O LEU A 529 -5.216 0.816 -0.782 1.00 0.26 O ATOM 292 CB LEU A 529 -8.051 1.721 -2.255 1.00 0.43 C ATOM 293 CG LEU A 529 -8.900 1.575 -3.513 1.00 0.58 C ATOM 294 CD1 LEU A 529 -9.661 2.864 -3.763 1.00 0.67 C ATOM 295 CD2 LEU A 529 -8.030 1.217 -4.709 1.00 0.69 C ATOM 0 H LEU A 529 -9.327 -0.205 -1.426 1.00 0.37 H new ATOM 0 HA LEU A 529 -6.788 0.010 -2.588 1.00 0.33 H new ATOM 0 HB2 LEU A 529 -8.684 2.099 -1.452 1.00 0.43 H new ATOM 0 HB3 LEU A 529 -7.286 2.475 -2.439 1.00 0.43 H new ATOM 0 HG LEU A 529 -9.615 0.765 -3.370 1.00 0.58 H new ATOM 0 HD11 LEU A 529 -10.268 2.760 -4.662 1.00 0.67 H new ATOM 0 HD12 LEU A 529 -10.308 3.076 -2.911 1.00 0.67 H new ATOM 0 HD13 LEU A 529 -8.955 3.684 -3.895 1.00 0.67 H new ATOM 0 HD21 LEU A 529 -8.655 1.117 -5.597 1.00 0.69 H new ATOM 0 HD22 LEU A 529 -7.293 2.003 -4.871 1.00 0.69 H new ATOM 0 HD23 LEU A 529 -7.519 0.274 -4.518 1.00 0.69 H new ATOM 307 N LYS A 530 -7.018 1.020 0.548 1.00 0.23 N ATOM 308 CA LYS A 530 -6.247 1.328 1.748 1.00 0.30 C ATOM 309 C LYS A 530 -5.287 0.189 2.088 1.00 0.24 C ATOM 310 O LYS A 530 -4.118 0.428 2.394 1.00 0.29 O ATOM 311 CB LYS A 530 -7.186 1.608 2.928 1.00 0.47 C ATOM 312 CG LYS A 530 -6.470 2.055 4.195 1.00 1.14 C ATOM 313 CD LYS A 530 -5.589 3.269 3.934 1.00 1.72 C ATOM 314 CE LYS A 530 -4.871 3.727 5.192 1.00 2.36 C ATOM 315 NZ LYS A 530 -5.805 4.302 6.192 1.00 2.78 N ATOM 0 H LYS A 530 -8.028 1.005 0.691 1.00 0.23 H new ATOM 0 HA LYS A 530 -5.655 2.222 1.552 1.00 0.30 H new ATOM 0 HB2 LYS A 530 -7.901 2.377 2.636 1.00 0.47 H new ATOM 0 HB3 LYS A 530 -7.759 0.707 3.145 1.00 0.47 H new ATOM 0 HG2 LYS A 530 -7.204 2.294 4.965 1.00 1.14 H new ATOM 0 HG3 LYS A 530 -5.861 1.237 4.579 1.00 1.14 H new ATOM 0 HD2 LYS A 530 -4.856 3.027 3.165 1.00 1.72 H new ATOM 0 HD3 LYS A 530 -6.200 4.085 3.547 1.00 1.72 H new ATOM 0 HE2 LYS A 530 -4.342 2.883 5.634 1.00 2.36 H new ATOM 0 HE3 LYS A 530 -4.119 4.471 4.929 1.00 2.36 H new ATOM 0 HZ1 LYS A 530 -5.262 4.708 6.981 1.00 2.78 H new ATOM 0 HZ2 LYS A 530 -6.376 5.047 5.745 1.00 2.78 H new ATOM 0 HZ3 LYS A 530 -6.432 3.554 6.552 1.00 2.78 H new ATOM 329 N GLU A 531 -5.773 -1.044 2.020 1.00 0.21 N ATOM 330 CA GLU A 531 -4.935 -2.208 2.286 1.00 0.26 C ATOM 331 C GLU A 531 -3.852 -2.351 1.224 1.00 0.23 C ATOM 332 O GLU A 531 -2.710 -2.696 1.529 1.00 0.26 O ATOM 333 CB GLU A 531 -5.776 -3.479 2.356 1.00 0.37 C ATOM 334 CG GLU A 531 -6.760 -3.479 3.509 1.00 0.50 C ATOM 335 CD GLU A 531 -7.441 -4.814 3.687 1.00 0.68 C ATOM 336 OE1 GLU A 531 -6.916 -5.665 4.429 1.00 1.00 O ATOM 337 OE2 GLU A 531 -8.513 -5.019 3.080 1.00 0.98 O ATOM 0 H GLU A 531 -6.740 -1.264 1.784 1.00 0.21 H new ATOM 0 HA GLU A 531 -4.454 -2.058 3.253 1.00 0.26 H new ATOM 0 HB2 GLU A 531 -6.322 -3.598 1.420 1.00 0.37 H new ATOM 0 HB3 GLU A 531 -5.115 -4.340 2.451 1.00 0.37 H new ATOM 0 HG2 GLU A 531 -6.237 -3.216 4.429 1.00 0.50 H new ATOM 0 HG3 GLU A 531 -7.514 -2.710 3.339 1.00 0.50 H new ATOM 344 N GLN A 532 -4.212 -2.071 -0.021 1.00 0.23 N ATOM 345 CA GLN A 532 -3.254 -2.080 -1.117 1.00 0.32 C ATOM 346 C GLN A 532 -2.181 -1.025 -0.851 1.00 0.33 C ATOM 347 O GLN A 532 -1.012 -1.205 -1.171 1.00 0.41 O ATOM 348 CB GLN A 532 -3.969 -1.800 -2.439 1.00 0.40 C ATOM 349 CG GLN A 532 -3.360 -2.485 -3.661 1.00 0.97 C ATOM 350 CD GLN A 532 -1.877 -2.224 -3.843 1.00 1.51 C ATOM 351 OE1 GLN A 532 -1.476 -1.236 -4.459 1.00 2.20 O ATOM 352 NE2 GLN A 532 -1.053 -3.130 -3.339 1.00 2.06 N ATOM 0 H GLN A 532 -5.165 -1.834 -0.298 1.00 0.23 H new ATOM 0 HA GLN A 532 -2.782 -3.060 -1.186 1.00 0.32 H new ATOM 0 HB2 GLN A 532 -5.009 -2.114 -2.346 1.00 0.40 H new ATOM 0 HB3 GLN A 532 -3.975 -0.724 -2.610 1.00 0.40 H new ATOM 0 HG2 GLN A 532 -3.521 -3.560 -3.580 1.00 0.97 H new ATOM 0 HG3 GLN A 532 -3.889 -2.150 -4.553 1.00 0.97 H new ATOM 0 HE21 GLN A 532 -1.426 -3.934 -2.835 1.00 2.06 H new ATOM 0 HE22 GLN A 532 -0.045 -3.023 -3.455 1.00 2.06 H new ATOM 361 N THR A 533 -2.590 0.066 -0.223 1.00 0.29 N ATOM 362 CA THR A 533 -1.682 1.161 0.074 1.00 0.36 C ATOM 363 C THR A 533 -0.707 0.787 1.187 1.00 0.35 C ATOM 364 O THR A 533 0.497 0.998 1.053 1.00 0.41 O ATOM 365 CB THR A 533 -2.451 2.435 0.473 1.00 0.41 C ATOM 366 OG1 THR A 533 -3.457 2.720 -0.505 1.00 0.45 O ATOM 367 CG2 THR A 533 -1.507 3.623 0.589 1.00 0.53 C ATOM 0 H THR A 533 -3.549 0.216 0.092 1.00 0.29 H new ATOM 0 HA THR A 533 -1.118 1.361 -0.837 1.00 0.36 H new ATOM 0 HB THR A 533 -2.918 2.264 1.443 1.00 0.41 H new ATOM 0 HG1 THR A 533 -4.231 2.138 -0.357 1.00 0.45 H new ATOM 0 HG21 THR A 533 -2.073 4.511 0.872 1.00 0.53 H new ATOM 0 HG22 THR A 533 -0.753 3.416 1.349 1.00 0.53 H new ATOM 0 HG23 THR A 533 -1.018 3.794 -0.370 1.00 0.53 H new ATOM 375 N VAL A 534 -1.218 0.219 2.277 1.00 0.29 N ATOM 376 CA VAL A 534 -0.376 -0.109 3.426 1.00 0.32 C ATOM 377 C VAL A 534 0.697 -1.140 3.064 1.00 0.32 C ATOM 378 O VAL A 534 1.832 -1.042 3.525 1.00 0.35 O ATOM 379 CB VAL A 534 -1.191 -0.590 4.652 1.00 0.32 C ATOM 380 CG1 VAL A 534 -2.102 0.521 5.154 1.00 0.36 C ATOM 381 CG2 VAL A 534 -2.001 -1.835 4.332 1.00 0.28 C ATOM 0 H VAL A 534 -2.203 -0.022 2.389 1.00 0.29 H new ATOM 0 HA VAL A 534 0.116 0.822 3.709 1.00 0.32 H new ATOM 0 HB VAL A 534 -0.482 -0.849 5.439 1.00 0.32 H new ATOM 0 HG11 VAL A 534 -2.668 0.166 6.016 1.00 0.36 H new ATOM 0 HG12 VAL A 534 -1.500 1.382 5.444 1.00 0.36 H new ATOM 0 HG13 VAL A 534 -2.792 0.812 4.362 1.00 0.36 H new ATOM 0 HG21 VAL A 534 -2.560 -2.143 5.216 1.00 0.28 H new ATOM 0 HG22 VAL A 534 -2.696 -1.618 3.521 1.00 0.28 H new ATOM 0 HG23 VAL A 534 -1.329 -2.638 4.029 1.00 0.28 H new ATOM 391 N GLU A 535 0.348 -2.121 2.242 1.00 0.29 N ATOM 392 CA GLU A 535 1.324 -3.103 1.791 1.00 0.32 C ATOM 393 C GLU A 535 2.288 -2.475 0.783 1.00 0.36 C ATOM 394 O GLU A 535 3.475 -2.788 0.769 1.00 0.39 O ATOM 395 CB GLU A 535 0.619 -4.318 1.187 1.00 0.34 C ATOM 396 CG GLU A 535 -0.254 -3.979 -0.004 1.00 0.36 C ATOM 397 CD GLU A 535 -0.914 -5.193 -0.619 1.00 0.54 C ATOM 398 OE1 GLU A 535 -0.212 -5.998 -1.262 1.00 0.69 O ATOM 399 OE2 GLU A 535 -2.136 -5.357 -0.455 1.00 0.81 O ATOM 0 H GLU A 535 -0.595 -2.257 1.877 1.00 0.29 H new ATOM 0 HA GLU A 535 1.903 -3.439 2.651 1.00 0.32 H new ATOM 0 HB2 GLU A 535 1.368 -5.049 0.882 1.00 0.34 H new ATOM 0 HB3 GLU A 535 0.006 -4.791 1.954 1.00 0.34 H new ATOM 0 HG2 GLU A 535 -1.024 -3.272 0.306 1.00 0.36 H new ATOM 0 HG3 GLU A 535 0.351 -3.479 -0.760 1.00 0.36 H new ATOM 406 N ARG A 536 1.772 -1.560 -0.035 1.00 0.38 N ATOM 407 CA ARG A 536 2.583 -0.882 -1.037 1.00 0.44 C ATOM 408 C ARG A 536 3.614 0.036 -0.377 1.00 0.46 C ATOM 409 O ARG A 536 4.787 0.023 -0.748 1.00 0.49 O ATOM 410 CB ARG A 536 1.687 -0.108 -2.007 1.00 0.49 C ATOM 411 CG ARG A 536 2.447 0.709 -3.035 1.00 0.59 C ATOM 412 CD ARG A 536 2.453 2.183 -2.672 1.00 0.65 C ATOM 413 NE ARG A 536 1.140 2.796 -2.875 1.00 0.70 N ATOM 414 CZ ARG A 536 0.755 3.948 -2.330 1.00 0.93 C ATOM 415 NH1 ARG A 536 1.571 4.620 -1.524 1.00 1.38 N ATOM 416 NH2 ARG A 536 -0.450 4.432 -2.596 1.00 0.94 N ATOM 0 H ARG A 536 0.793 -1.272 -0.021 1.00 0.38 H new ATOM 0 HA ARG A 536 3.132 -1.632 -1.606 1.00 0.44 H new ATOM 0 HB2 ARG A 536 1.038 -0.813 -2.527 1.00 0.49 H new ATOM 0 HB3 ARG A 536 1.041 0.558 -1.435 1.00 0.49 H new ATOM 0 HG2 ARG A 536 3.472 0.345 -3.106 1.00 0.59 H new ATOM 0 HG3 ARG A 536 1.993 0.576 -4.017 1.00 0.59 H new ATOM 0 HD2 ARG A 536 2.752 2.300 -1.630 1.00 0.65 H new ATOM 0 HD3 ARG A 536 3.195 2.704 -3.277 1.00 0.65 H new ATOM 0 HE ARG A 536 0.475 2.308 -3.475 1.00 0.70 H new ATOM 0 HH11 ARG A 536 2.501 4.254 -1.319 1.00 1.38 H new ATOM 0 HH12 ARG A 536 1.268 5.502 -1.111 1.00 1.38 H new ATOM 0 HH21 ARG A 536 -1.079 3.922 -3.216 1.00 0.94 H new ATOM 0 HH22 ARG A 536 -0.748 5.314 -2.180 1.00 0.94 H new ATOM 430 N VAL A 537 3.186 0.815 0.614 1.00 0.45 N ATOM 431 CA VAL A 537 4.109 1.688 1.338 1.00 0.49 C ATOM 432 C VAL A 537 5.152 0.854 2.069 1.00 0.45 C ATOM 433 O VAL A 537 6.322 1.225 2.145 1.00 0.48 O ATOM 434 CB VAL A 537 3.396 2.625 2.342 1.00 0.51 C ATOM 435 CG1 VAL A 537 2.385 3.493 1.624 1.00 0.55 C ATOM 436 CG2 VAL A 537 2.722 1.845 3.458 1.00 0.47 C ATOM 0 H VAL A 537 2.218 0.861 0.932 1.00 0.45 H new ATOM 0 HA VAL A 537 4.588 2.323 0.592 1.00 0.49 H new ATOM 0 HB VAL A 537 4.156 3.262 2.796 1.00 0.51 H new ATOM 0 HG11 VAL A 537 1.891 4.147 2.343 1.00 0.55 H new ATOM 0 HG12 VAL A 537 2.893 4.098 0.873 1.00 0.55 H new ATOM 0 HG13 VAL A 537 1.642 2.860 1.139 1.00 0.55 H new ATOM 0 HG21 VAL A 537 2.233 2.538 4.142 1.00 0.47 H new ATOM 0 HG22 VAL A 537 1.979 1.170 3.033 1.00 0.47 H new ATOM 0 HG23 VAL A 537 3.470 1.267 4.001 1.00 0.47 H new ATOM 446 N THR A 538 4.709 -0.270 2.613 1.00 0.40 N ATOM 447 CA THR A 538 5.593 -1.204 3.286 1.00 0.38 C ATOM 448 C THR A 538 6.625 -1.785 2.308 1.00 0.36 C ATOM 449 O THR A 538 7.802 -1.924 2.642 1.00 0.34 O ATOM 450 CB THR A 538 4.777 -2.336 3.932 1.00 0.35 C ATOM 451 OG1 THR A 538 3.913 -1.798 4.941 1.00 0.36 O ATOM 452 CG2 THR A 538 5.682 -3.392 4.536 1.00 0.36 C ATOM 0 H THR A 538 3.730 -0.557 2.599 1.00 0.40 H new ATOM 0 HA THR A 538 6.129 -0.664 4.066 1.00 0.38 H new ATOM 0 HB THR A 538 4.179 -2.809 3.154 1.00 0.35 H new ATOM 0 HG1 THR A 538 3.086 -1.475 4.526 1.00 0.36 H new ATOM 0 HG21 THR A 538 5.075 -4.178 4.985 1.00 0.36 H new ATOM 0 HG22 THR A 538 6.312 -3.820 3.756 1.00 0.36 H new ATOM 0 HG23 THR A 538 6.311 -2.938 5.302 1.00 0.36 H new ATOM 460 N LEU A 539 6.183 -2.091 1.092 1.00 0.37 N ATOM 461 CA LEU A 539 7.067 -2.598 0.057 1.00 0.37 C ATOM 462 C LEU A 539 8.073 -1.515 -0.325 1.00 0.38 C ATOM 463 O LEU A 539 9.270 -1.776 -0.441 1.00 0.35 O ATOM 464 CB LEU A 539 6.215 -3.057 -1.147 1.00 0.42 C ATOM 465 CG LEU A 539 6.954 -3.480 -2.425 1.00 0.47 C ATOM 466 CD1 LEU A 539 7.382 -2.259 -3.220 1.00 0.52 C ATOM 467 CD2 LEU A 539 8.151 -4.361 -2.092 1.00 0.44 C ATOM 0 H LEU A 539 5.210 -1.994 0.801 1.00 0.37 H new ATOM 0 HA LEU A 539 7.633 -3.458 0.415 1.00 0.37 H new ATOM 0 HB2 LEU A 539 5.600 -3.896 -0.822 1.00 0.42 H new ATOM 0 HB3 LEU A 539 5.535 -2.245 -1.406 1.00 0.42 H new ATOM 0 HG LEU A 539 6.270 -4.065 -3.040 1.00 0.47 H new ATOM 0 HD11 LEU A 539 7.904 -2.577 -4.122 1.00 0.52 H new ATOM 0 HD12 LEU A 539 6.502 -1.678 -3.496 1.00 0.52 H new ATOM 0 HD13 LEU A 539 8.047 -1.645 -2.613 1.00 0.52 H new ATOM 0 HD21 LEU A 539 8.659 -4.648 -3.013 1.00 0.44 H new ATOM 0 HD22 LEU A 539 8.842 -3.810 -1.453 1.00 0.44 H new ATOM 0 HD23 LEU A 539 7.810 -5.256 -1.571 1.00 0.44 H new ATOM 479 N GLN A 540 7.584 -0.294 -0.495 1.00 0.43 N ATOM 480 CA GLN A 540 8.450 0.841 -0.793 1.00 0.45 C ATOM 481 C GLN A 540 9.394 1.124 0.367 1.00 0.35 C ATOM 482 O GLN A 540 10.468 1.687 0.178 1.00 0.30 O ATOM 483 CB GLN A 540 7.622 2.078 -1.104 1.00 0.58 C ATOM 484 CG GLN A 540 6.796 1.937 -2.364 1.00 0.69 C ATOM 485 CD GLN A 540 7.651 1.871 -3.616 1.00 0.73 C ATOM 486 OE1 GLN A 540 8.737 2.452 -3.673 1.00 1.05 O ATOM 487 NE2 GLN A 540 7.172 1.165 -4.627 1.00 1.55 N ATOM 0 H GLN A 540 6.592 -0.063 -0.432 1.00 0.43 H new ATOM 0 HA GLN A 540 9.046 0.587 -1.669 1.00 0.45 H new ATOM 0 HB2 GLN A 540 6.960 2.285 -0.264 1.00 0.58 H new ATOM 0 HB3 GLN A 540 8.286 2.936 -1.206 1.00 0.58 H new ATOM 0 HG2 GLN A 540 6.187 1.036 -2.296 1.00 0.69 H new ATOM 0 HG3 GLN A 540 6.110 2.780 -2.441 1.00 0.69 H new ATOM 0 HE21 GLN A 540 6.269 0.699 -4.541 1.00 1.55 H new ATOM 0 HE22 GLN A 540 7.706 1.087 -5.493 1.00 1.55 H new ATOM 496 N ASN A 541 8.976 0.745 1.565 1.00 0.37 N ATOM 497 CA ASN A 541 9.821 0.873 2.750 1.00 0.34 C ATOM 498 C ASN A 541 10.955 -0.143 2.683 1.00 0.25 C ATOM 499 O ASN A 541 12.097 0.154 3.037 1.00 0.25 O ATOM 500 CB ASN A 541 9.004 0.664 4.028 1.00 0.42 C ATOM 501 CG ASN A 541 9.763 1.063 5.277 1.00 0.49 C ATOM 502 OD1 ASN A 541 9.725 2.220 5.696 1.00 1.08 O ATOM 503 ND2 ASN A 541 10.438 0.109 5.896 1.00 1.21 N ATOM 0 H ASN A 541 8.055 0.345 1.746 1.00 0.37 H new ATOM 0 HA ASN A 541 10.237 1.880 2.773 1.00 0.34 H new ATOM 0 HB2 ASN A 541 8.084 1.245 3.966 1.00 0.42 H new ATOM 0 HB3 ASN A 541 8.715 -0.384 4.102 1.00 0.42 H new ATOM 0 HD21 ASN A 541 10.951 0.320 6.752 1.00 1.21 H new ATOM 0 HD22 ASN A 541 10.445 -0.838 5.518 1.00 1.21 H new ATOM 510 N GLN A 542 10.637 -1.341 2.213 1.00 0.22 N ATOM 511 CA GLN A 542 11.645 -2.367 1.999 1.00 0.21 C ATOM 512 C GLN A 542 12.554 -1.964 0.841 1.00 0.18 C ATOM 513 O GLN A 542 13.755 -2.228 0.856 1.00 0.24 O ATOM 514 CB GLN A 542 10.987 -3.715 1.711 1.00 0.27 C ATOM 515 CG GLN A 542 10.050 -4.181 2.815 1.00 0.33 C ATOM 516 CD GLN A 542 9.448 -5.540 2.530 1.00 1.18 C ATOM 517 OE1 GLN A 542 9.258 -5.919 1.373 1.00 1.94 O ATOM 518 NE2 GLN A 542 9.137 -6.282 3.581 1.00 1.98 N ATOM 0 H GLN A 542 9.687 -1.626 1.973 1.00 0.22 H new ATOM 0 HA GLN A 542 12.243 -2.466 2.905 1.00 0.21 H new ATOM 0 HB2 GLN A 542 10.429 -3.646 0.777 1.00 0.27 H new ATOM 0 HB3 GLN A 542 11.764 -4.465 1.564 1.00 0.27 H new ATOM 0 HG2 GLN A 542 10.596 -4.220 3.758 1.00 0.33 H new ATOM 0 HG3 GLN A 542 9.250 -3.452 2.940 1.00 0.33 H new ATOM 0 HE21 GLN A 542 9.311 -5.931 4.523 1.00 1.98 H new ATOM 0 HE22 GLN A 542 8.724 -7.205 3.449 1.00 1.98 H new ATOM 527 N LEU A 543 11.963 -1.324 -0.164 1.00 0.19 N ATOM 528 CA LEU A 543 12.723 -0.778 -1.283 1.00 0.23 C ATOM 529 C LEU A 543 13.585 0.383 -0.800 1.00 0.16 C ATOM 530 O LEU A 543 14.675 0.616 -1.312 1.00 0.24 O ATOM 531 CB LEU A 543 11.780 -0.330 -2.406 1.00 0.34 C ATOM 532 CG LEU A 543 12.458 0.064 -3.723 1.00 0.46 C ATOM 533 CD1 LEU A 543 11.532 -0.219 -4.894 1.00 0.61 C ATOM 534 CD2 LEU A 543 12.850 1.535 -3.722 1.00 0.43 C ATOM 0 H LEU A 543 10.956 -1.171 -0.226 1.00 0.19 H new ATOM 0 HA LEU A 543 13.375 -1.554 -1.685 1.00 0.23 H new ATOM 0 HB2 LEU A 543 11.076 -1.137 -2.608 1.00 0.34 H new ATOM 0 HB3 LEU A 543 11.198 0.520 -2.050 1.00 0.34 H new ATOM 0 HG LEU A 543 13.364 -0.533 -3.825 1.00 0.46 H new ATOM 0 HD11 LEU A 543 12.024 0.065 -5.824 1.00 0.61 H new ATOM 0 HD12 LEU A 543 11.293 -1.282 -4.920 1.00 0.61 H new ATOM 0 HD13 LEU A 543 10.614 0.357 -4.779 1.00 0.61 H new ATOM 0 HD21 LEU A 543 13.329 1.785 -4.669 1.00 0.43 H new ATOM 0 HD22 LEU A 543 11.959 2.149 -3.593 1.00 0.43 H new ATOM 0 HD23 LEU A 543 13.544 1.726 -2.903 1.00 0.43 H new ATOM 546 N GLN A 544 13.084 1.109 0.188 1.00 0.11 N ATOM 547 CA GLN A 544 13.842 2.170 0.819 1.00 0.20 C ATOM 548 C GLN A 544 15.084 1.590 1.476 1.00 0.29 C ATOM 549 O GLN A 544 16.184 2.110 1.317 1.00 0.37 O ATOM 550 CB GLN A 544 12.965 2.884 1.847 1.00 0.32 C ATOM 551 CG GLN A 544 13.680 3.963 2.625 1.00 0.49 C ATOM 552 CD GLN A 544 12.788 4.591 3.675 1.00 0.78 C ATOM 553 OE1 GLN A 544 12.084 5.567 3.408 1.00 1.34 O ATOM 554 NE2 GLN A 544 12.809 4.038 4.876 1.00 1.64 N ATOM 0 H GLN A 544 12.147 0.978 0.570 1.00 0.11 H new ATOM 0 HA GLN A 544 14.156 2.895 0.068 1.00 0.20 H new ATOM 0 HB2 GLN A 544 12.110 3.326 1.335 1.00 0.32 H new ATOM 0 HB3 GLN A 544 12.571 2.147 2.547 1.00 0.32 H new ATOM 0 HG2 GLN A 544 14.562 3.540 3.105 1.00 0.49 H new ATOM 0 HG3 GLN A 544 14.030 4.734 1.938 1.00 0.49 H new ATOM 0 HE21 GLN A 544 13.406 3.231 5.055 1.00 1.64 H new ATOM 0 HE22 GLN A 544 12.228 4.419 5.623 1.00 1.64 H new ATOM 563 N GLN A 545 14.897 0.491 2.195 1.00 0.33 N ATOM 564 CA GLN A 545 15.999 -0.243 2.784 1.00 0.47 C ATOM 565 C GLN A 545 16.949 -0.728 1.690 1.00 0.50 C ATOM 566 O GLN A 545 18.166 -0.740 1.862 1.00 0.63 O ATOM 567 CB GLN A 545 15.452 -1.432 3.565 1.00 0.53 C ATOM 568 CG GLN A 545 16.434 -2.015 4.555 1.00 1.16 C ATOM 569 CD GLN A 545 15.885 -3.237 5.263 1.00 1.53 C ATOM 570 OE1 GLN A 545 14.677 -3.365 5.451 1.00 1.91 O ATOM 571 NE2 GLN A 545 16.764 -4.139 5.664 1.00 2.20 N ATOM 0 H GLN A 545 13.979 0.088 2.383 1.00 0.33 H new ATOM 0 HA GLN A 545 16.550 0.411 3.459 1.00 0.47 H new ATOM 0 HB2 GLN A 545 14.553 -1.122 4.098 1.00 0.53 H new ATOM 0 HB3 GLN A 545 15.153 -2.210 2.862 1.00 0.53 H new ATOM 0 HG2 GLN A 545 17.354 -2.283 4.035 1.00 1.16 H new ATOM 0 HG3 GLN A 545 16.694 -1.257 5.294 1.00 1.16 H new ATOM 0 HE21 GLN A 545 17.758 -3.995 5.488 1.00 2.20 H new ATOM 0 HE22 GLN A 545 16.448 -4.979 6.149 1.00 2.20 H new ATOM 580 N PHE A 546 16.368 -1.116 0.562 1.00 0.42 N ATOM 581 CA PHE A 546 17.128 -1.575 -0.590 1.00 0.53 C ATOM 582 C PHE A 546 17.975 -0.444 -1.178 1.00 0.61 C ATOM 583 O PHE A 546 19.172 -0.613 -1.411 1.00 0.77 O ATOM 584 CB PHE A 546 16.152 -2.163 -1.624 1.00 0.54 C ATOM 585 CG PHE A 546 16.564 -2.013 -3.059 1.00 0.68 C ATOM 586 CD1 PHE A 546 17.519 -2.843 -3.620 1.00 1.26 C ATOM 587 CD2 PHE A 546 15.976 -1.042 -3.850 1.00 0.93 C ATOM 588 CE1 PHE A 546 17.880 -2.705 -4.945 1.00 1.38 C ATOM 589 CE2 PHE A 546 16.331 -0.896 -5.172 1.00 1.03 C ATOM 590 CZ PHE A 546 17.287 -1.728 -5.724 1.00 0.99 C ATOM 0 H PHE A 546 15.358 -1.121 0.421 1.00 0.42 H new ATOM 0 HA PHE A 546 17.827 -2.354 -0.284 1.00 0.53 H new ATOM 0 HB2 PHE A 546 16.020 -3.224 -1.411 1.00 0.54 H new ATOM 0 HB3 PHE A 546 15.180 -1.688 -1.492 1.00 0.54 H new ATOM 0 HD1 PHE A 546 17.986 -3.606 -3.015 1.00 1.26 H new ATOM 0 HD2 PHE A 546 15.228 -0.389 -3.424 1.00 0.93 H new ATOM 0 HE1 PHE A 546 18.625 -3.359 -5.373 1.00 1.38 H new ATOM 0 HE2 PHE A 546 15.864 -0.133 -5.777 1.00 1.03 H new ATOM 0 HZ PHE A 546 17.570 -1.616 -6.760 1.00 0.99 H new ATOM 600 N LEU A 547 17.357 0.709 -1.412 1.00 0.53 N ATOM 601 CA LEU A 547 18.069 1.855 -1.956 1.00 0.64 C ATOM 602 C LEU A 547 19.128 2.350 -0.979 1.00 0.74 C ATOM 603 O LEU A 547 20.182 2.834 -1.391 1.00 0.89 O ATOM 604 CB LEU A 547 17.092 2.976 -2.349 1.00 0.59 C ATOM 605 CG LEU A 547 16.411 3.755 -1.214 1.00 0.50 C ATOM 606 CD1 LEU A 547 17.274 4.914 -0.738 1.00 0.66 C ATOM 607 CD2 LEU A 547 15.059 4.266 -1.675 1.00 0.46 C ATOM 0 H LEU A 547 16.366 0.872 -1.233 1.00 0.53 H new ATOM 0 HA LEU A 547 18.582 1.537 -2.864 1.00 0.64 H new ATOM 0 HB2 LEU A 547 17.632 3.690 -2.970 1.00 0.59 H new ATOM 0 HB3 LEU A 547 16.312 2.539 -2.972 1.00 0.59 H new ATOM 0 HG LEU A 547 16.274 3.074 -0.374 1.00 0.50 H new ATOM 0 HD11 LEU A 547 16.762 5.443 0.065 1.00 0.66 H new ATOM 0 HD12 LEU A 547 18.226 4.532 -0.371 1.00 0.66 H new ATOM 0 HD13 LEU A 547 17.453 5.599 -1.567 1.00 0.66 H new ATOM 0 HD21 LEU A 547 14.583 4.817 -0.864 1.00 0.46 H new ATOM 0 HD22 LEU A 547 15.192 4.925 -2.533 1.00 0.46 H new ATOM 0 HD23 LEU A 547 14.429 3.423 -1.960 1.00 0.46 H new ATOM 619 N GLU A 548 18.829 2.251 0.310 1.00 0.69 N ATOM 620 CA GLU A 548 19.799 2.575 1.350 1.00 0.85 C ATOM 621 C GLU A 548 20.986 1.623 1.300 1.00 0.97 C ATOM 622 O GLU A 548 22.128 2.038 1.483 1.00 1.12 O ATOM 623 CB GLU A 548 19.168 2.523 2.738 1.00 0.87 C ATOM 624 CG GLU A 548 18.216 3.670 3.026 1.00 0.88 C ATOM 625 CD GLU A 548 17.720 3.653 4.454 1.00 1.55 C ATOM 626 OE1 GLU A 548 18.443 4.149 5.341 1.00 1.98 O ATOM 627 OE2 GLU A 548 16.611 3.138 4.698 1.00 2.23 O ATOM 0 H GLU A 548 17.921 1.948 0.662 1.00 0.69 H new ATOM 0 HA GLU A 548 20.144 3.592 1.161 1.00 0.85 H new ATOM 0 HB2 GLU A 548 18.630 1.581 2.846 1.00 0.87 H new ATOM 0 HB3 GLU A 548 19.960 2.525 3.487 1.00 0.87 H new ATOM 0 HG2 GLU A 548 18.719 4.616 2.829 1.00 0.88 H new ATOM 0 HG3 GLU A 548 17.365 3.614 2.347 1.00 0.88 H new ATOM 634 N ALA A 549 20.708 0.347 1.061 1.00 0.93 N ATOM 635 CA ALA A 549 21.763 -0.645 0.895 1.00 1.09 C ATOM 636 C ALA A 549 22.654 -0.265 -0.281 1.00 1.20 C ATOM 637 O ALA A 549 23.877 -0.374 -0.207 1.00 1.35 O ATOM 638 CB ALA A 549 21.168 -2.029 0.693 1.00 1.06 C ATOM 0 H ALA A 549 19.762 -0.025 0.978 1.00 0.93 H new ATOM 0 HA ALA A 549 22.370 -0.667 1.800 1.00 1.09 H new ATOM 0 HB1 ALA A 549 21.971 -2.756 0.571 1.00 1.06 H new ATOM 0 HB2 ALA A 549 20.565 -2.296 1.561 1.00 1.06 H new ATOM 0 HB3 ALA A 549 20.540 -2.029 -0.198 1.00 1.06 H new ATOM 644 N GLN A 550 22.030 0.212 -1.358 1.00 1.15 N ATOM 645 CA GLN A 550 22.764 0.692 -2.525 1.00 1.31 C ATOM 646 C GLN A 550 23.672 1.849 -2.139 1.00 1.43 C ATOM 647 O GLN A 550 24.785 1.975 -2.645 1.00 1.65 O ATOM 648 CB GLN A 550 21.804 1.154 -3.621 1.00 1.26 C ATOM 649 CG GLN A 550 20.836 0.085 -4.093 1.00 1.20 C ATOM 650 CD GLN A 550 21.514 -1.049 -4.838 1.00 1.71 C ATOM 651 OE1 GLN A 550 22.665 -1.396 -4.572 1.00 2.38 O ATOM 652 NE2 GLN A 550 20.808 -1.624 -5.793 1.00 2.29 N ATOM 0 H GLN A 550 21.016 0.276 -1.445 1.00 1.15 H new ATOM 0 HA GLN A 550 23.365 -0.135 -2.904 1.00 1.31 H new ATOM 0 HB2 GLN A 550 21.234 2.007 -3.253 1.00 1.26 H new ATOM 0 HB3 GLN A 550 22.386 1.503 -4.474 1.00 1.26 H new ATOM 0 HG2 GLN A 550 20.305 -0.321 -3.232 1.00 1.20 H new ATOM 0 HG3 GLN A 550 20.089 0.542 -4.742 1.00 1.20 H new ATOM 0 HE21 GLN A 550 19.857 -1.309 -5.984 1.00 2.29 H new ATOM 0 HE22 GLN A 550 21.213 -2.384 -6.340 1.00 2.29 H new ATOM 661 N LYS A 551 23.185 2.697 -1.241 1.00 1.33 N ATOM 662 CA LYS A 551 23.966 3.827 -0.748 1.00 1.50 C ATOM 663 C LYS A 551 25.171 3.334 0.035 1.00 1.72 C ATOM 664 O LYS A 551 26.304 3.663 -0.293 1.00 2.01 O ATOM 665 CB LYS A 551 23.116 4.735 0.145 1.00 1.43 C ATOM 666 CG LYS A 551 21.882 5.300 -0.538 1.00 1.36 C ATOM 667 CD LYS A 551 22.243 6.196 -1.709 1.00 1.66 C ATOM 668 CE LYS A 551 21.000 6.679 -2.437 1.00 1.93 C ATOM 669 NZ LYS A 551 20.188 5.545 -2.946 1.00 2.36 N ATOM 0 H LYS A 551 22.251 2.624 -0.838 1.00 1.33 H new ATOM 0 HA LYS A 551 24.303 4.401 -1.611 1.00 1.50 H new ATOM 0 HB2 LYS A 551 22.805 4.172 1.025 1.00 1.43 H new ATOM 0 HB3 LYS A 551 23.734 5.561 0.497 1.00 1.43 H new ATOM 0 HG2 LYS A 551 21.254 4.481 -0.888 1.00 1.36 H new ATOM 0 HG3 LYS A 551 21.294 5.866 0.185 1.00 1.36 H new ATOM 0 HD2 LYS A 551 22.814 7.053 -1.352 1.00 1.66 H new ATOM 0 HD3 LYS A 551 22.885 5.652 -2.402 1.00 1.66 H new ATOM 0 HE2 LYS A 551 20.396 7.286 -1.763 1.00 1.93 H new ATOM 0 HE3 LYS A 551 21.291 7.321 -3.269 1.00 1.93 H new ATOM 0 HZ1 LYS A 551 19.535 5.887 -3.679 1.00 2.36 H new ATOM 0 HZ2 LYS A 551 20.816 4.823 -3.352 1.00 2.36 H new ATOM 0 HZ3 LYS A 551 19.643 5.129 -2.164 1.00 2.36 H new ATOM 683 N SER A 552 24.914 2.513 1.048 1.00 1.61 N ATOM 684 CA SER A 552 25.962 2.014 1.931 1.00 1.82 C ATOM 685 C SER A 552 27.039 1.238 1.169 1.00 1.95 C ATOM 686 O SER A 552 28.193 1.179 1.599 1.00 2.23 O ATOM 687 CB SER A 552 25.345 1.133 3.012 1.00 1.69 C ATOM 688 OG SER A 552 24.316 1.826 3.700 1.00 1.76 O ATOM 0 H SER A 552 23.979 2.176 1.279 1.00 1.61 H new ATOM 0 HA SER A 552 26.449 2.875 2.389 1.00 1.82 H new ATOM 0 HB2 SER A 552 24.941 0.226 2.562 1.00 1.69 H new ATOM 0 HB3 SER A 552 26.115 0.822 3.718 1.00 1.69 H new ATOM 0 HG SER A 552 23.499 1.821 3.158 1.00 1.76 H new ATOM 694 N GLU A 553 26.661 0.641 0.050 1.00 1.81 N ATOM 695 CA GLU A 553 27.613 -0.089 -0.779 1.00 2.00 C ATOM 696 C GLU A 553 28.294 0.841 -1.777 1.00 2.25 C ATOM 697 O GLU A 553 29.514 0.811 -1.936 1.00 2.55 O ATOM 698 CB GLU A 553 26.904 -1.227 -1.515 1.00 1.88 C ATOM 699 CG GLU A 553 26.383 -2.309 -0.584 1.00 1.75 C ATOM 700 CD GLU A 553 27.496 -3.071 0.104 1.00 1.97 C ATOM 701 OE1 GLU A 553 28.033 -4.021 -0.501 1.00 1.91 O ATOM 702 OE2 GLU A 553 27.843 -2.724 1.252 1.00 2.46 O ATOM 0 H GLU A 553 25.705 0.646 -0.306 1.00 1.81 H new ATOM 0 HA GLU A 553 28.381 -0.509 -0.129 1.00 2.00 H new ATOM 0 HB2 GLU A 553 26.072 -0.818 -2.088 1.00 1.88 H new ATOM 0 HB3 GLU A 553 27.594 -1.674 -2.231 1.00 1.88 H new ATOM 0 HG2 GLU A 553 25.739 -1.856 0.169 1.00 1.75 H new ATOM 0 HG3 GLU A 553 25.767 -3.006 -1.152 1.00 1.75 H new ATOM 709 N GLY A 554 27.500 1.680 -2.424 1.00 2.16 N ATOM 710 CA GLY A 554 28.012 2.553 -3.465 1.00 2.43 C ATOM 711 C GLY A 554 28.841 3.703 -2.925 1.00 2.68 C ATOM 712 O GLY A 554 29.655 4.277 -3.646 1.00 2.98 O ATOM 0 H GLY A 554 26.500 1.774 -2.246 1.00 2.16 H new ATOM 0 HA2 GLY A 554 28.620 1.968 -4.155 1.00 2.43 H new ATOM 0 HA3 GLY A 554 27.176 2.954 -4.038 1.00 2.43 H new ATOM 716 N LYS A 555 28.627 4.055 -1.663 1.00 2.59 N ATOM 717 CA LYS A 555 29.389 5.125 -1.025 1.00 2.88 C ATOM 718 C LYS A 555 30.811 4.665 -0.721 1.00 3.09 C ATOM 719 O LYS A 555 31.696 5.474 -0.447 1.00 3.44 O ATOM 720 CB LYS A 555 28.696 5.583 0.262 1.00 2.82 C ATOM 721 CG LYS A 555 28.740 4.564 1.395 1.00 2.71 C ATOM 722 CD LYS A 555 27.951 5.045 2.605 1.00 2.71 C ATOM 723 CE LYS A 555 28.546 6.309 3.207 1.00 2.99 C ATOM 724 NZ LYS A 555 29.839 6.050 3.893 1.00 3.58 N ATOM 0 H LYS A 555 27.932 3.616 -1.060 1.00 2.59 H new ATOM 0 HA LYS A 555 29.437 5.967 -1.715 1.00 2.88 H new ATOM 0 HB2 LYS A 555 29.162 6.508 0.602 1.00 2.82 H new ATOM 0 HB3 LYS A 555 27.655 5.815 0.038 1.00 2.82 H new ATOM 0 HG2 LYS A 555 28.334 3.614 1.048 1.00 2.71 H new ATOM 0 HG3 LYS A 555 29.775 4.382 1.683 1.00 2.71 H new ATOM 0 HD2 LYS A 555 26.918 5.234 2.313 1.00 2.71 H new ATOM 0 HD3 LYS A 555 27.930 4.259 3.360 1.00 2.71 H new ATOM 0 HE2 LYS A 555 28.696 7.048 2.420 1.00 2.99 H new ATOM 0 HE3 LYS A 555 27.839 6.738 3.917 1.00 2.99 H new ATOM 0 HZ1 LYS A 555 30.182 6.929 4.331 1.00 3.58 H new ATOM 0 HZ2 LYS A 555 29.703 5.327 4.628 1.00 3.58 H new ATOM 0 HZ3 LYS A 555 30.538 5.713 3.201 1.00 3.58 H new ATOM 738 N SER A 556 31.019 3.361 -0.767 1.00 2.91 N ATOM 739 CA SER A 556 32.328 2.793 -0.508 1.00 3.12 C ATOM 740 C SER A 556 33.109 2.658 -1.812 1.00 3.40 C ATOM 741 O SER A 556 32.808 1.799 -2.646 1.00 3.67 O ATOM 742 CB SER A 556 32.180 1.431 0.177 1.00 2.84 C ATOM 743 OG SER A 556 33.438 0.918 0.591 1.00 3.07 O ATOM 0 H SER A 556 30.296 2.675 -0.982 1.00 2.91 H new ATOM 0 HA SER A 556 32.881 3.457 0.156 1.00 3.12 H new ATOM 0 HB2 SER A 556 31.522 1.527 1.041 1.00 2.84 H new ATOM 0 HB3 SER A 556 31.706 0.728 -0.508 1.00 2.84 H new ATOM 0 HG SER A 556 33.310 0.049 1.026 1.00 3.07 H new ATOM 749 N LEU A 557 34.095 3.524 -1.996 1.00 3.70 N ATOM 750 CA LEU A 557 34.923 3.493 -3.190 1.00 4.05 C ATOM 751 C LEU A 557 36.294 2.919 -2.862 1.00 4.48 C ATOM 752 O LEU A 557 36.647 1.867 -3.425 1.00 4.98 O ATOM 753 CB LEU A 557 35.054 4.888 -3.830 1.00 4.73 C ATOM 754 CG LEU A 557 35.664 5.998 -2.958 1.00 5.04 C ATOM 755 CD1 LEU A 557 36.167 7.133 -3.840 1.00 5.74 C ATOM 756 CD2 LEU A 557 34.642 6.533 -1.964 1.00 5.35 C ATOM 757 OXT LEU A 557 36.996 3.498 -2.007 1.00 4.73 O ATOM 0 H LEU A 557 34.340 4.258 -1.331 1.00 3.70 H new ATOM 0 HA LEU A 557 34.434 2.847 -3.920 1.00 4.05 H new ATOM 0 HB2 LEU A 557 35.660 4.793 -4.731 1.00 4.73 H new ATOM 0 HB3 LEU A 557 34.062 5.211 -4.146 1.00 4.73 H new ATOM 0 HG LEU A 557 36.499 5.574 -2.400 1.00 5.04 H new ATOM 0 HD11 LEU A 557 36.598 7.916 -3.215 1.00 5.74 H new ATOM 0 HD12 LEU A 557 36.928 6.754 -4.523 1.00 5.74 H new ATOM 0 HD13 LEU A 557 35.336 7.543 -4.414 1.00 5.74 H new ATOM 0 HD21 LEU A 557 35.098 7.317 -1.359 1.00 5.35 H new ATOM 0 HD22 LEU A 557 33.788 6.942 -2.504 1.00 5.35 H new ATOM 0 HD23 LEU A 557 34.307 5.723 -1.316 1.00 5.35 H new TER 769 LEU A 557