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 552 SER OG : rot 73:sc= 0.296 USER MOD Set 1.2: A 555 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 516 MET CE :methyl -152:sc= -0.221 (180deg=-0.955) USER MOD Set 2.2: A 517 SER OG : rot 76:sc= 1.24 USER MOD Single : A 511 SER OG : rot 180:sc= 0 USER MOD Single : A 514 THR OG1 : rot 180:sc= 0.018 USER MOD Single : A 515 CYS SG : rot 69:sc= 0.434 USER MOD Single : A 520 SER OG : rot 93:sc= 1.32 USER MOD Single : A 521 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 524 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0202) USER MOD Single : A 526 THR OG1 : rot 88:sc=0.000171 USER MOD Single : A 527 LYS NZ :NH3+ 171:sc=-0.00125 (180deg=-0.119) USER MOD Single : A 528 GLN : amide:sc= -0.808 K(o=-0.81,f=0) USER MOD Single : A 530 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0641) USER MOD Single : A 532 GLN : amide:sc= -0.0844 X(o=-0.084,f=-0.12) USER MOD Single : A 533 THR OG1 : rot 97:sc= 1.26 USER MOD Single : A 538 THR OG1 : rot 93:sc= 1.27 USER MOD Single : A 540 GLN : amide:sc= -0.111 K(o=-0.11,f=-0.8) USER MOD Single : A 541 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 542 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.32) USER MOD Single : A 544 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 545 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 550 GLN : amide:sc= -0.0868 K(o=-0.087,f=-3.3!) USER MOD Single : A 551 LYS NZ :NH3+ -161:sc= 0.89 (180deg=0.46) USER MOD Single : A 556 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 510 -37.626 6.561 -0.016 1.00 9.10 N ATOM 2 CA GLY A 510 -36.564 6.560 1.014 1.00 8.55 C ATOM 3 C GLY A 510 -35.196 6.764 0.411 1.00 7.83 C ATOM 4 O GLY A 510 -34.943 6.358 -0.725 1.00 8.04 O ATOM 0 HA2 GLY A 510 -36.762 7.348 1.740 1.00 8.55 H new ATOM 0 HA3 GLY A 510 -36.585 5.615 1.556 1.00 8.55 H new ATOM 10 N SER A 511 -34.315 7.401 1.161 1.00 7.22 N ATOM 11 CA SER A 511 -32.970 7.673 0.690 1.00 6.73 C ATOM 12 C SER A 511 -31.934 6.873 1.474 1.00 6.19 C ATOM 13 O SER A 511 -30.787 6.746 1.046 1.00 5.90 O ATOM 14 CB SER A 511 -32.681 9.172 0.775 1.00 6.95 C ATOM 15 OG SER A 511 -33.244 9.736 1.951 1.00 7.47 O ATOM 0 H SER A 511 -34.509 7.741 2.103 1.00 7.22 H new ATOM 0 HA SER A 511 -32.901 7.360 -0.352 1.00 6.73 H new ATOM 0 HB2 SER A 511 -31.604 9.339 0.768 1.00 6.95 H new ATOM 0 HB3 SER A 511 -33.087 9.674 -0.103 1.00 6.95 H new ATOM 0 HG SER A 511 -33.044 10.695 1.982 1.00 7.47 H new ATOM 21 N VAL A 512 -32.351 6.314 2.609 1.00 6.20 N ATOM 22 CA VAL A 512 -31.457 5.511 3.437 1.00 5.78 C ATOM 23 C VAL A 512 -30.927 4.322 2.647 1.00 5.49 C ATOM 24 O VAL A 512 -29.740 3.997 2.720 1.00 5.11 O ATOM 25 CB VAL A 512 -32.149 4.996 4.713 1.00 6.06 C ATOM 26 CG1 VAL A 512 -31.134 4.312 5.612 1.00 5.88 C ATOM 27 CG2 VAL A 512 -32.833 6.133 5.452 1.00 6.40 C ATOM 0 H VAL A 512 -33.299 6.403 2.974 1.00 6.20 H new ATOM 0 HA VAL A 512 -30.635 6.162 3.734 1.00 5.78 H new ATOM 0 HB VAL A 512 -32.912 4.272 4.427 1.00 6.06 H new ATOM 0 HG11 VAL A 512 -31.631 3.950 6.512 1.00 5.88 H new ATOM 0 HG12 VAL A 512 -30.687 3.471 5.082 1.00 5.88 H new ATOM 0 HG13 VAL A 512 -30.355 5.023 5.888 1.00 5.88 H new ATOM 0 HG21 VAL A 512 -33.315 5.746 6.350 1.00 6.40 H new ATOM 0 HG22 VAL A 512 -32.093 6.882 5.732 1.00 6.40 H new ATOM 0 HG23 VAL A 512 -33.583 6.588 4.805 1.00 6.40 H new ATOM 37 N GLU A 513 -31.809 3.694 1.872 1.00 5.73 N ATOM 38 CA GLU A 513 -31.428 2.566 1.029 1.00 5.58 C ATOM 39 C GLU A 513 -30.290 2.955 0.083 1.00 5.26 C ATOM 40 O GLU A 513 -29.334 2.199 -0.105 1.00 4.95 O ATOM 41 CB GLU A 513 -32.632 2.071 0.225 1.00 6.03 C ATOM 42 CG GLU A 513 -33.326 3.162 -0.577 1.00 6.54 C ATOM 43 CD GLU A 513 -34.326 2.612 -1.569 1.00 7.02 C ATOM 44 OE1 GLU A 513 -33.910 2.212 -2.675 1.00 7.27 O ATOM 45 OE2 GLU A 513 -35.532 2.588 -1.253 1.00 7.40 O ATOM 0 H GLU A 513 -32.795 3.949 1.811 1.00 5.73 H new ATOM 0 HA GLU A 513 -31.080 1.761 1.676 1.00 5.58 H new ATOM 0 HB2 GLU A 513 -32.304 1.285 -0.456 1.00 6.03 H new ATOM 0 HB3 GLU A 513 -33.353 1.621 0.908 1.00 6.03 H new ATOM 0 HG2 GLU A 513 -33.835 3.841 0.107 1.00 6.54 H new ATOM 0 HG3 GLU A 513 -32.577 3.748 -1.110 1.00 6.54 H new ATOM 52 N THR A 514 -30.393 4.146 -0.490 1.00 5.38 N ATOM 53 CA THR A 514 -29.397 4.645 -1.417 1.00 5.15 C ATOM 54 C THR A 514 -28.068 4.888 -0.703 1.00 4.74 C ATOM 55 O THR A 514 -27.026 4.379 -1.120 1.00 4.68 O ATOM 56 CB THR A 514 -29.878 5.954 -2.069 1.00 5.39 C ATOM 57 OG1 THR A 514 -31.284 5.864 -2.347 1.00 5.70 O ATOM 58 CG2 THR A 514 -29.123 6.221 -3.356 1.00 5.67 C ATOM 0 H THR A 514 -31.168 4.788 -0.324 1.00 5.38 H new ATOM 0 HA THR A 514 -29.250 3.892 -2.191 1.00 5.15 H new ATOM 0 HB THR A 514 -29.690 6.776 -1.378 1.00 5.39 H new ATOM 0 HG1 THR A 514 -31.590 6.698 -2.760 1.00 5.70 H new ATOM 0 HG21 THR A 514 -29.479 7.151 -3.800 1.00 5.67 H new ATOM 0 HG22 THR A 514 -28.058 6.305 -3.142 1.00 5.67 H new ATOM 0 HG23 THR A 514 -29.289 5.399 -4.053 1.00 5.67 H new ATOM 66 N CYS A 515 -28.119 5.639 0.393 1.00 4.56 N ATOM 67 CA CYS A 515 -26.916 5.992 1.145 1.00 4.21 C ATOM 68 C CYS A 515 -26.230 4.751 1.711 1.00 3.93 C ATOM 69 O CYS A 515 -25.004 4.680 1.765 1.00 3.56 O ATOM 70 CB CYS A 515 -27.258 6.957 2.276 1.00 4.40 C ATOM 71 SG CYS A 515 -28.122 8.447 1.727 1.00 4.96 S ATOM 0 H CYS A 515 -28.983 6.017 0.782 1.00 4.56 H new ATOM 0 HA CYS A 515 -26.226 6.479 0.455 1.00 4.21 H new ATOM 0 HB2 CYS A 515 -27.876 6.439 3.009 1.00 4.40 H new ATOM 0 HB3 CYS A 515 -26.338 7.248 2.784 1.00 4.40 H new ATOM 0 HG CYS A 515 -29.317 8.132 1.324 1.00 4.96 H new ATOM 77 N MET A 516 -27.020 3.776 2.134 1.00 4.13 N ATOM 78 CA MET A 516 -26.470 2.530 2.648 1.00 3.95 C ATOM 79 C MET A 516 -25.692 1.812 1.551 1.00 3.70 C ATOM 80 O MET A 516 -24.594 1.304 1.780 1.00 3.40 O ATOM 81 CB MET A 516 -27.586 1.634 3.184 1.00 4.28 C ATOM 82 CG MET A 516 -27.085 0.361 3.852 1.00 4.27 C ATOM 83 SD MET A 516 -26.710 -0.964 2.681 1.00 4.83 S ATOM 84 CE MET A 516 -28.334 -1.282 1.988 1.00 5.80 C ATOM 0 H MET A 516 -28.039 3.822 2.132 1.00 4.13 H new ATOM 0 HA MET A 516 -25.790 2.759 3.469 1.00 3.95 H new ATOM 0 HB2 MET A 516 -28.180 2.200 3.901 1.00 4.28 H new ATOM 0 HB3 MET A 516 -28.249 1.365 2.362 1.00 4.28 H new ATOM 0 HG2 MET A 516 -26.189 0.591 4.429 1.00 4.27 H new ATOM 0 HG3 MET A 516 -27.837 0.010 4.558 1.00 4.27 H new ATOM 0 HE1 MET A 516 -28.393 -2.320 1.662 1.00 5.80 H new ATOM 0 HE2 MET A 516 -29.096 -1.096 2.745 1.00 5.80 H new ATOM 0 HE3 MET A 516 -28.501 -0.624 1.136 1.00 5.80 H new ATOM 94 N SER A 517 -26.254 1.809 0.350 1.00 3.87 N ATOM 95 CA SER A 517 -25.647 1.121 -0.775 1.00 3.73 C ATOM 96 C SER A 517 -24.342 1.795 -1.196 1.00 3.38 C ATOM 97 O SER A 517 -23.318 1.128 -1.370 1.00 3.11 O ATOM 98 CB SER A 517 -26.624 1.080 -1.949 1.00 4.09 C ATOM 99 OG SER A 517 -27.854 0.490 -1.560 1.00 4.52 O ATOM 0 H SER A 517 -27.133 2.278 0.132 1.00 3.87 H new ATOM 0 HA SER A 517 -25.414 0.102 -0.466 1.00 3.73 H new ATOM 0 HB2 SER A 517 -26.800 2.091 -2.317 1.00 4.09 H new ATOM 0 HB3 SER A 517 -26.188 0.513 -2.772 1.00 4.09 H new ATOM 0 HG SER A 517 -28.372 1.132 -1.031 1.00 4.52 H new ATOM 105 N LEU A 518 -24.369 3.120 -1.330 1.00 3.41 N ATOM 106 CA LEU A 518 -23.186 3.857 -1.752 1.00 3.15 C ATOM 107 C LEU A 518 -22.080 3.798 -0.700 1.00 2.83 C ATOM 108 O LEU A 518 -20.914 3.614 -1.036 1.00 2.54 O ATOM 109 CB LEU A 518 -23.523 5.311 -2.138 1.00 3.32 C ATOM 110 CG LEU A 518 -24.415 6.117 -1.178 1.00 3.52 C ATOM 111 CD1 LEU A 518 -23.607 6.740 -0.045 1.00 3.34 C ATOM 112 CD2 LEU A 518 -25.175 7.189 -1.947 1.00 3.86 C ATOM 0 H LEU A 518 -25.191 3.698 -1.154 1.00 3.41 H new ATOM 0 HA LEU A 518 -22.808 3.366 -2.649 1.00 3.15 H new ATOM 0 HB2 LEU A 518 -22.585 5.852 -2.258 1.00 3.32 H new ATOM 0 HB3 LEU A 518 -24.009 5.295 -3.114 1.00 3.32 H new ATOM 0 HG LEU A 518 -25.129 5.428 -0.727 1.00 3.52 H new ATOM 0 HD11 LEU A 518 -24.273 7.301 0.611 1.00 3.34 H new ATOM 0 HD12 LEU A 518 -23.114 5.953 0.525 1.00 3.34 H new ATOM 0 HD13 LEU A 518 -22.856 7.412 -0.460 1.00 3.34 H new ATOM 0 HD21 LEU A 518 -25.804 7.754 -1.259 1.00 3.86 H new ATOM 0 HD22 LEU A 518 -24.466 7.863 -2.428 1.00 3.86 H new ATOM 0 HD23 LEU A 518 -25.800 6.718 -2.706 1.00 3.86 H new ATOM 124 N ALA A 519 -22.451 3.932 0.566 1.00 2.92 N ATOM 125 CA ALA A 519 -21.481 3.887 1.656 1.00 2.71 C ATOM 126 C ALA A 519 -20.780 2.535 1.710 1.00 2.50 C ATOM 127 O ALA A 519 -19.566 2.467 1.872 1.00 2.24 O ATOM 128 CB ALA A 519 -22.157 4.189 2.982 1.00 2.96 C ATOM 0 H ALA A 519 -23.416 4.073 0.865 1.00 2.92 H new ATOM 0 HA ALA A 519 -20.726 4.651 1.468 1.00 2.71 H new ATOM 0 HB1 ALA A 519 -21.419 4.151 3.783 1.00 2.96 H new ATOM 0 HB2 ALA A 519 -22.602 5.183 2.945 1.00 2.96 H new ATOM 0 HB3 ALA A 519 -22.935 3.450 3.170 1.00 2.96 H new ATOM 134 N SER A 520 -21.550 1.463 1.553 1.00 2.66 N ATOM 135 CA SER A 520 -20.986 0.117 1.531 1.00 2.54 C ATOM 136 C SER A 520 -20.058 -0.046 0.335 1.00 2.31 C ATOM 137 O SER A 520 -18.993 -0.651 0.438 1.00 2.10 O ATOM 138 CB SER A 520 -22.100 -0.927 1.463 1.00 2.83 C ATOM 139 OG SER A 520 -23.046 -0.741 2.505 1.00 2.98 O ATOM 0 H SER A 520 -22.563 1.499 1.439 1.00 2.66 H new ATOM 0 HA SER A 520 -20.417 -0.032 2.448 1.00 2.54 H new ATOM 0 HB2 SER A 520 -22.602 -0.864 0.498 1.00 2.83 H new ATOM 0 HB3 SER A 520 -21.670 -1.926 1.534 1.00 2.83 H new ATOM 0 HG SER A 520 -23.783 -0.182 2.182 1.00 2.98 H new ATOM 145 N GLN A 521 -20.465 0.520 -0.794 1.00 2.40 N ATOM 146 CA GLN A 521 -19.657 0.491 -2.003 1.00 2.26 C ATOM 147 C GLN A 521 -18.335 1.215 -1.768 1.00 1.95 C ATOM 148 O GLN A 521 -17.265 0.676 -2.038 1.00 1.75 O ATOM 149 CB GLN A 521 -20.428 1.150 -3.146 1.00 2.49 C ATOM 150 CG GLN A 521 -19.672 1.215 -4.459 1.00 2.84 C ATOM 151 CD GLN A 521 -20.429 2.001 -5.509 1.00 3.23 C ATOM 152 OE1 GLN A 521 -21.234 1.447 -6.253 1.00 3.85 O ATOM 153 NE2 GLN A 521 -20.173 3.299 -5.578 1.00 3.40 N ATOM 0 H GLN A 521 -21.355 1.007 -0.896 1.00 2.40 H new ATOM 0 HA GLN A 521 -19.441 -0.544 -2.268 1.00 2.26 H new ATOM 0 HB2 GLN A 521 -21.358 0.603 -3.303 1.00 2.49 H new ATOM 0 HB3 GLN A 521 -20.700 2.162 -2.848 1.00 2.49 H new ATOM 0 HG2 GLN A 521 -18.697 1.675 -4.294 1.00 2.84 H new ATOM 0 HG3 GLN A 521 -19.490 0.204 -4.824 1.00 2.84 H new ATOM 0 HE21 GLN A 521 -19.497 3.720 -4.941 1.00 3.40 H new ATOM 0 HE22 GLN A 521 -20.652 3.877 -6.268 1.00 3.40 H new ATOM 162 N VAL A 522 -18.423 2.417 -1.213 1.00 1.94 N ATOM 163 CA VAL A 522 -17.245 3.211 -0.890 1.00 1.71 C ATOM 164 C VAL A 522 -16.366 2.479 0.115 1.00 1.52 C ATOM 165 O VAL A 522 -15.145 2.485 -0.002 1.00 1.28 O ATOM 166 CB VAL A 522 -17.631 4.597 -0.324 1.00 1.86 C ATOM 167 CG1 VAL A 522 -16.395 5.378 0.105 1.00 1.69 C ATOM 168 CG2 VAL A 522 -18.424 5.384 -1.354 1.00 2.07 C ATOM 0 H VAL A 522 -19.307 2.867 -0.975 1.00 1.94 H new ATOM 0 HA VAL A 522 -16.691 3.360 -1.817 1.00 1.71 H new ATOM 0 HB VAL A 522 -18.254 4.442 0.557 1.00 1.86 H new ATOM 0 HG11 VAL A 522 -16.696 6.349 0.499 1.00 1.69 H new ATOM 0 HG12 VAL A 522 -15.863 4.822 0.877 1.00 1.69 H new ATOM 0 HG13 VAL A 522 -15.740 5.523 -0.754 1.00 1.69 H new ATOM 0 HG21 VAL A 522 -18.689 6.358 -0.942 1.00 2.07 H new ATOM 0 HG22 VAL A 522 -17.820 5.521 -2.251 1.00 2.07 H new ATOM 0 HG23 VAL A 522 -19.332 4.838 -1.609 1.00 2.07 H new ATOM 178 N VAL A 523 -16.998 1.838 1.088 1.00 1.66 N ATOM 179 CA VAL A 523 -16.290 1.086 2.108 1.00 1.58 C ATOM 180 C VAL A 523 -15.478 -0.049 1.480 1.00 1.41 C ATOM 181 O VAL A 523 -14.334 -0.288 1.868 1.00 1.24 O ATOM 182 CB VAL A 523 -17.283 0.546 3.166 1.00 1.85 C ATOM 183 CG1 VAL A 523 -16.795 -0.747 3.791 1.00 1.86 C ATOM 184 CG2 VAL A 523 -17.530 1.597 4.236 1.00 1.98 C ATOM 0 H VAL A 523 -18.013 1.826 1.190 1.00 1.66 H new ATOM 0 HA VAL A 523 -15.591 1.755 2.610 1.00 1.58 H new ATOM 0 HB VAL A 523 -18.222 0.326 2.659 1.00 1.85 H new ATOM 0 HG11 VAL A 523 -17.521 -1.092 4.528 1.00 1.86 H new ATOM 0 HG12 VAL A 523 -16.677 -1.504 3.016 1.00 1.86 H new ATOM 0 HG13 VAL A 523 -15.836 -0.576 4.279 1.00 1.86 H new ATOM 0 HG21 VAL A 523 -18.230 1.207 4.975 1.00 1.98 H new ATOM 0 HG22 VAL A 523 -16.588 1.847 4.725 1.00 1.98 H new ATOM 0 HG23 VAL A 523 -17.949 2.492 3.777 1.00 1.98 H new ATOM 194 N LYS A 524 -16.059 -0.725 0.494 1.00 1.52 N ATOM 195 CA LYS A 524 -15.355 -1.788 -0.218 1.00 1.44 C ATOM 196 C LYS A 524 -14.203 -1.230 -1.053 1.00 1.21 C ATOM 197 O LYS A 524 -13.106 -1.794 -1.058 1.00 1.07 O ATOM 198 CB LYS A 524 -16.318 -2.598 -1.091 1.00 1.69 C ATOM 199 CG LYS A 524 -16.841 -3.851 -0.406 1.00 1.91 C ATOM 200 CD LYS A 524 -17.654 -3.512 0.829 1.00 2.09 C ATOM 201 CE LYS A 524 -17.812 -4.714 1.748 1.00 2.33 C ATOM 202 NZ LYS A 524 -18.512 -5.845 1.084 1.00 2.48 N ATOM 0 H LYS A 524 -17.012 -0.557 0.170 1.00 1.52 H new ATOM 0 HA LYS A 524 -14.931 -2.458 0.529 1.00 1.44 H new ATOM 0 HB2 LYS A 524 -17.161 -1.967 -1.372 1.00 1.69 H new ATOM 0 HB3 LYS A 524 -15.811 -2.881 -2.013 1.00 1.69 H new ATOM 0 HG2 LYS A 524 -17.457 -4.418 -1.104 1.00 1.91 H new ATOM 0 HG3 LYS A 524 -16.004 -4.491 -0.127 1.00 1.91 H new ATOM 0 HD2 LYS A 524 -17.169 -2.700 1.372 1.00 2.09 H new ATOM 0 HD3 LYS A 524 -18.638 -3.152 0.529 1.00 2.09 H new ATOM 0 HE2 LYS A 524 -16.829 -5.045 2.082 1.00 2.33 H new ATOM 0 HE3 LYS A 524 -18.368 -4.418 2.637 1.00 2.33 H new ATOM 0 HZ1 LYS A 524 -18.671 -6.607 1.773 1.00 2.48 H new ATOM 0 HZ2 LYS A 524 -19.427 -5.517 0.713 1.00 2.48 H new ATOM 0 HZ3 LYS A 524 -17.929 -6.203 0.301 1.00 2.48 H new ATOM 216 N LEU A 525 -14.441 -0.115 -1.745 1.00 1.21 N ATOM 217 CA LEU A 525 -13.379 0.542 -2.509 1.00 1.06 C ATOM 218 C LEU A 525 -12.277 1.025 -1.577 1.00 0.82 C ATOM 219 O LEU A 525 -11.091 0.865 -1.861 1.00 0.67 O ATOM 220 CB LEU A 525 -13.914 1.729 -3.321 1.00 1.19 C ATOM 221 CG LEU A 525 -14.444 1.394 -4.718 1.00 1.42 C ATOM 222 CD1 LEU A 525 -15.783 0.690 -4.631 1.00 1.62 C ATOM 223 CD2 LEU A 525 -14.555 2.654 -5.562 1.00 1.56 C ATOM 0 H LEU A 525 -15.349 0.348 -1.793 1.00 1.21 H new ATOM 0 HA LEU A 525 -12.977 -0.195 -3.204 1.00 1.06 H new ATOM 0 HB2 LEU A 525 -14.715 2.203 -2.753 1.00 1.19 H new ATOM 0 HB3 LEU A 525 -13.116 2.465 -3.422 1.00 1.19 H new ATOM 0 HG LEU A 525 -13.736 0.719 -5.199 1.00 1.42 H new ATOM 0 HD11 LEU A 525 -16.140 0.462 -5.635 1.00 1.62 H new ATOM 0 HD12 LEU A 525 -15.671 -0.236 -4.067 1.00 1.62 H new ATOM 0 HD13 LEU A 525 -16.502 1.337 -4.128 1.00 1.62 H new ATOM 0 HD21 LEU A 525 -14.933 2.397 -6.551 1.00 1.56 H new ATOM 0 HD22 LEU A 525 -15.239 3.354 -5.083 1.00 1.56 H new ATOM 0 HD23 LEU A 525 -13.572 3.115 -5.658 1.00 1.56 H new ATOM 235 N THR A 526 -12.686 1.588 -0.451 1.00 0.84 N ATOM 236 CA THR A 526 -11.782 2.141 0.516 1.00 0.73 C ATOM 237 C THR A 526 -10.972 1.031 1.186 1.00 0.62 C ATOM 238 O THR A 526 -9.774 1.181 1.425 1.00 0.52 O ATOM 239 CB THR A 526 -12.595 2.951 1.544 1.00 0.91 C ATOM 240 OG1 THR A 526 -12.839 4.275 1.051 1.00 1.14 O ATOM 241 CG2 THR A 526 -11.903 2.996 2.879 1.00 1.40 C ATOM 0 H THR A 526 -13.669 1.669 -0.190 1.00 0.84 H new ATOM 0 HA THR A 526 -11.070 2.805 0.027 1.00 0.73 H new ATOM 0 HB THR A 526 -13.552 2.450 1.689 1.00 0.91 H new ATOM 0 HG1 THR A 526 -13.658 4.278 0.514 1.00 1.14 H new ATOM 0 HG21 THR A 526 -12.503 3.575 3.581 1.00 1.40 H new ATOM 0 HG22 THR A 526 -11.779 1.982 3.259 1.00 1.40 H new ATOM 0 HG23 THR A 526 -10.925 3.464 2.766 1.00 1.40 H new ATOM 249 N LYS A 527 -11.629 -0.092 1.454 1.00 0.72 N ATOM 250 CA LYS A 527 -10.968 -1.251 2.032 1.00 0.71 C ATOM 251 C LYS A 527 -9.862 -1.741 1.108 1.00 0.55 C ATOM 252 O LYS A 527 -8.742 -1.996 1.547 1.00 0.47 O ATOM 253 CB LYS A 527 -11.982 -2.373 2.274 1.00 0.91 C ATOM 254 CG LYS A 527 -11.414 -3.564 3.031 1.00 1.04 C ATOM 255 CD LYS A 527 -11.007 -3.187 4.451 1.00 1.12 C ATOM 256 CE LYS A 527 -12.186 -2.642 5.241 1.00 1.24 C ATOM 257 NZ LYS A 527 -13.275 -3.645 5.382 1.00 1.60 N ATOM 0 H LYS A 527 -12.625 -0.222 1.278 1.00 0.72 H new ATOM 0 HA LYS A 527 -10.528 -0.961 2.986 1.00 0.71 H new ATOM 0 HB2 LYS A 527 -12.828 -1.971 2.831 1.00 0.91 H new ATOM 0 HB3 LYS A 527 -12.367 -2.715 1.313 1.00 0.91 H new ATOM 0 HG2 LYS A 527 -12.156 -4.361 3.065 1.00 1.04 H new ATOM 0 HG3 LYS A 527 -10.549 -3.956 2.496 1.00 1.04 H new ATOM 0 HD2 LYS A 527 -10.600 -4.062 4.959 1.00 1.12 H new ATOM 0 HD3 LYS A 527 -10.214 -2.440 4.417 1.00 1.12 H new ATOM 0 HE2 LYS A 527 -11.848 -2.333 6.230 1.00 1.24 H new ATOM 0 HE3 LYS A 527 -12.575 -1.753 4.745 1.00 1.24 H new ATOM 0 HZ1 LYS A 527 -13.989 -3.291 6.051 1.00 1.60 H new ATOM 0 HZ2 LYS A 527 -13.719 -3.808 4.456 1.00 1.60 H new ATOM 0 HZ3 LYS A 527 -12.880 -4.539 5.738 1.00 1.60 H new ATOM 271 N GLN A 528 -10.183 -1.845 -0.178 1.00 0.59 N ATOM 272 CA GLN A 528 -9.214 -2.278 -1.173 1.00 0.55 C ATOM 273 C GLN A 528 -8.037 -1.311 -1.230 1.00 0.40 C ATOM 274 O GLN A 528 -6.879 -1.725 -1.178 1.00 0.37 O ATOM 275 CB GLN A 528 -9.878 -2.370 -2.548 1.00 0.75 C ATOM 276 CG GLN A 528 -8.919 -2.762 -3.659 1.00 1.38 C ATOM 277 CD GLN A 528 -9.564 -2.768 -5.033 1.00 1.87 C ATOM 278 OE1 GLN A 528 -8.904 -2.514 -6.037 1.00 2.56 O ATOM 279 NE2 GLN A 528 -10.851 -3.065 -5.093 1.00 2.33 N ATOM 0 H GLN A 528 -11.108 -1.635 -0.553 1.00 0.59 H new ATOM 0 HA GLN A 528 -8.844 -3.263 -0.888 1.00 0.55 H new ATOM 0 HB2 GLN A 528 -10.688 -3.099 -2.504 1.00 0.75 H new ATOM 0 HB3 GLN A 528 -10.328 -1.407 -2.790 1.00 0.75 H new ATOM 0 HG2 GLN A 528 -8.077 -2.070 -3.664 1.00 1.38 H new ATOM 0 HG3 GLN A 528 -8.517 -3.753 -3.450 1.00 1.38 H new ATOM 0 HE21 GLN A 528 -11.367 -3.271 -4.238 1.00 2.33 H new ATOM 0 HE22 GLN A 528 -11.327 -3.089 -5.995 1.00 2.33 H new ATOM 288 N LEU A 529 -8.343 -0.020 -1.300 1.00 0.37 N ATOM 289 CA LEU A 529 -7.316 1.011 -1.370 1.00 0.33 C ATOM 290 C LEU A 529 -6.427 0.971 -0.137 1.00 0.22 C ATOM 291 O LEU A 529 -5.203 1.023 -0.238 1.00 0.26 O ATOM 292 CB LEU A 529 -7.959 2.392 -1.461 1.00 0.43 C ATOM 293 CG LEU A 529 -8.768 2.667 -2.724 1.00 0.58 C ATOM 294 CD1 LEU A 529 -9.503 3.986 -2.576 1.00 0.67 C ATOM 295 CD2 LEU A 529 -7.864 2.684 -3.950 1.00 0.69 C ATOM 0 H LEU A 529 -9.298 0.338 -1.310 1.00 0.37 H new ATOM 0 HA LEU A 529 -6.714 0.821 -2.259 1.00 0.33 H new ATOM 0 HB2 LEU A 529 -8.612 2.525 -0.598 1.00 0.43 H new ATOM 0 HB3 LEU A 529 -7.173 3.143 -1.385 1.00 0.43 H new ATOM 0 HG LEU A 529 -9.497 1.869 -2.862 1.00 0.58 H new ATOM 0 HD11 LEU A 529 -10.082 4.183 -3.478 1.00 0.67 H new ATOM 0 HD12 LEU A 529 -10.174 3.934 -1.719 1.00 0.67 H new ATOM 0 HD13 LEU A 529 -8.782 4.789 -2.424 1.00 0.67 H new ATOM 0 HD21 LEU A 529 -8.462 2.882 -4.840 1.00 0.69 H new ATOM 0 HD22 LEU A 529 -7.112 3.465 -3.837 1.00 0.69 H new ATOM 0 HD23 LEU A 529 -7.371 1.717 -4.052 1.00 0.69 H new ATOM 307 N LYS A 530 -7.066 0.856 1.015 1.00 0.23 N ATOM 308 CA LYS A 530 -6.376 0.853 2.297 1.00 0.30 C ATOM 309 C LYS A 530 -5.338 -0.265 2.357 1.00 0.24 C ATOM 310 O LYS A 530 -4.178 -0.025 2.688 1.00 0.29 O ATOM 311 CB LYS A 530 -7.395 0.667 3.427 1.00 0.47 C ATOM 312 CG LYS A 530 -6.844 0.924 4.821 1.00 1.14 C ATOM 313 CD LYS A 530 -6.609 2.406 5.061 1.00 1.72 C ATOM 314 CE LYS A 530 -6.204 2.686 6.501 1.00 2.36 C ATOM 315 NZ LYS A 530 -4.917 2.035 6.848 1.00 2.78 N ATOM 0 H LYS A 530 -8.079 0.762 1.089 1.00 0.23 H new ATOM 0 HA LYS A 530 -5.862 1.807 2.414 1.00 0.30 H new ATOM 0 HB2 LYS A 530 -8.237 1.337 3.254 1.00 0.47 H new ATOM 0 HB3 LYS A 530 -7.783 -0.351 3.385 1.00 0.47 H new ATOM 0 HG2 LYS A 530 -7.541 0.540 5.566 1.00 1.14 H new ATOM 0 HG3 LYS A 530 -5.908 0.380 4.950 1.00 1.14 H new ATOM 0 HD2 LYS A 530 -5.830 2.765 4.388 1.00 1.72 H new ATOM 0 HD3 LYS A 530 -7.516 2.961 4.824 1.00 1.72 H new ATOM 0 HE2 LYS A 530 -6.119 3.762 6.652 1.00 2.36 H new ATOM 0 HE3 LYS A 530 -6.984 2.330 7.174 1.00 2.36 H new ATOM 0 HZ1 LYS A 530 -4.616 2.344 7.794 1.00 2.78 H new ATOM 0 HZ2 LYS A 530 -5.038 1.002 6.843 1.00 2.78 H new ATOM 0 HZ3 LYS A 530 -4.194 2.302 6.150 1.00 2.78 H new ATOM 329 N GLU A 531 -5.748 -1.473 1.989 1.00 0.21 N ATOM 330 CA GLU A 531 -4.881 -2.642 2.103 1.00 0.26 C ATOM 331 C GLU A 531 -3.769 -2.610 1.065 1.00 0.23 C ATOM 332 O GLU A 531 -2.605 -2.859 1.382 1.00 0.26 O ATOM 333 CB GLU A 531 -5.694 -3.924 1.953 1.00 0.37 C ATOM 334 CG GLU A 531 -6.850 -4.017 2.928 1.00 0.50 C ATOM 335 CD GLU A 531 -7.562 -5.344 2.861 1.00 0.68 C ATOM 336 OE1 GLU A 531 -7.857 -5.800 1.738 1.00 0.98 O ATOM 337 OE2 GLU A 531 -7.827 -5.942 3.925 1.00 1.00 O ATOM 0 H GLU A 531 -6.674 -1.670 1.609 1.00 0.21 H new ATOM 0 HA GLU A 531 -4.425 -2.621 3.093 1.00 0.26 H new ATOM 0 HB2 GLU A 531 -6.080 -3.984 0.935 1.00 0.37 H new ATOM 0 HB3 GLU A 531 -5.037 -4.782 2.096 1.00 0.37 H new ATOM 0 HG2 GLU A 531 -6.479 -3.859 3.941 1.00 0.50 H new ATOM 0 HG3 GLU A 531 -7.561 -3.217 2.720 1.00 0.50 H new ATOM 344 N GLN A 532 -4.126 -2.290 -0.172 1.00 0.23 N ATOM 345 CA GLN A 532 -3.146 -2.252 -1.246 1.00 0.32 C ATOM 346 C GLN A 532 -2.100 -1.177 -0.979 1.00 0.33 C ATOM 347 O GLN A 532 -0.930 -1.342 -1.313 1.00 0.41 O ATOM 348 CB GLN A 532 -3.822 -2.011 -2.599 1.00 0.40 C ATOM 349 CG GLN A 532 -4.861 -3.064 -2.963 1.00 0.97 C ATOM 350 CD GLN A 532 -4.303 -4.476 -2.976 1.00 1.51 C ATOM 351 OE1 GLN A 532 -4.305 -5.170 -1.958 1.00 2.20 O ATOM 352 NE2 GLN A 532 -3.846 -4.921 -4.133 1.00 2.06 N ATOM 0 H GLN A 532 -5.078 -2.055 -0.454 1.00 0.23 H new ATOM 0 HA GLN A 532 -2.649 -3.222 -1.281 1.00 0.32 H new ATOM 0 HB2 GLN A 532 -4.300 -1.031 -2.587 1.00 0.40 H new ATOM 0 HB3 GLN A 532 -3.058 -1.983 -3.376 1.00 0.40 H new ATOM 0 HG2 GLN A 532 -5.685 -3.013 -2.252 1.00 0.97 H new ATOM 0 HG3 GLN A 532 -5.273 -2.834 -3.946 1.00 0.97 H new ATOM 0 HE21 GLN A 532 -3.861 -4.316 -4.954 1.00 2.06 H new ATOM 0 HE22 GLN A 532 -3.478 -5.870 -4.205 1.00 2.06 H new ATOM 361 N THR A 533 -2.517 -0.085 -0.354 1.00 0.29 N ATOM 362 CA THR A 533 -1.602 1.003 -0.054 1.00 0.36 C ATOM 363 C THR A 533 -0.686 0.657 1.118 1.00 0.35 C ATOM 364 O THR A 533 0.522 0.873 1.034 1.00 0.41 O ATOM 365 CB THR A 533 -2.346 2.316 0.245 1.00 0.41 C ATOM 366 OG1 THR A 533 -3.244 2.619 -0.832 1.00 0.45 O ATOM 367 CG2 THR A 533 -1.356 3.460 0.426 1.00 0.53 C ATOM 0 H THR A 533 -3.477 0.069 -0.047 1.00 0.29 H new ATOM 0 HA THR A 533 -0.994 1.147 -0.947 1.00 0.36 H new ATOM 0 HB THR A 533 -2.913 2.195 1.168 1.00 0.41 H new ATOM 0 HG1 THR A 533 -4.146 2.312 -0.602 1.00 0.45 H new ATOM 0 HG21 THR A 533 -1.899 4.381 0.637 1.00 0.53 H new ATOM 0 HG22 THR A 533 -0.688 3.235 1.257 1.00 0.53 H new ATOM 0 HG23 THR A 533 -0.772 3.584 -0.486 1.00 0.53 H new ATOM 375 N VAL A 534 -1.240 0.101 2.202 1.00 0.29 N ATOM 376 CA VAL A 534 -0.438 -0.181 3.394 1.00 0.32 C ATOM 377 C VAL A 534 0.697 -1.156 3.082 1.00 0.32 C ATOM 378 O VAL A 534 1.817 -0.978 3.563 1.00 0.35 O ATOM 379 CB VAL A 534 -1.274 -0.712 4.587 1.00 0.32 C ATOM 380 CG1 VAL A 534 -2.264 0.339 5.059 1.00 0.36 C ATOM 381 CG2 VAL A 534 -1.995 -2.001 4.233 1.00 0.28 C ATOM 0 H VAL A 534 -2.224 -0.158 2.277 1.00 0.29 H new ATOM 0 HA VAL A 534 -0.019 0.778 3.697 1.00 0.32 H new ATOM 0 HB VAL A 534 -0.583 -0.930 5.401 1.00 0.32 H new ATOM 0 HG11 VAL A 534 -2.840 -0.054 5.897 1.00 0.36 H new ATOM 0 HG12 VAL A 534 -1.724 1.231 5.377 1.00 0.36 H new ATOM 0 HG13 VAL A 534 -2.939 0.596 4.243 1.00 0.36 H new ATOM 0 HG21 VAL A 534 -2.571 -2.344 5.093 1.00 0.28 H new ATOM 0 HG22 VAL A 534 -2.667 -1.823 3.394 1.00 0.28 H new ATOM 0 HG23 VAL A 534 -1.265 -2.762 3.958 1.00 0.28 H new ATOM 391 N GLU A 535 0.423 -2.169 2.268 1.00 0.29 N ATOM 392 CA GLU A 535 1.466 -3.098 1.870 1.00 0.32 C ATOM 393 C GLU A 535 2.416 -2.446 0.869 1.00 0.36 C ATOM 394 O GLU A 535 3.621 -2.685 0.910 1.00 0.39 O ATOM 395 CB GLU A 535 0.873 -4.380 1.293 1.00 0.34 C ATOM 396 CG GLU A 535 -0.038 -4.158 0.105 1.00 0.36 C ATOM 397 CD GLU A 535 -0.381 -5.447 -0.600 1.00 0.54 C ATOM 398 OE1 GLU A 535 -0.939 -6.357 0.049 1.00 0.81 O ATOM 399 OE2 GLU A 535 -0.068 -5.570 -1.801 1.00 0.69 O ATOM 0 H GLU A 535 -0.499 -2.364 1.877 1.00 0.29 H new ATOM 0 HA GLU A 535 2.034 -3.364 2.761 1.00 0.32 H new ATOM 0 HB2 GLU A 535 1.686 -5.042 0.995 1.00 0.34 H new ATOM 0 HB3 GLU A 535 0.314 -4.893 2.075 1.00 0.34 H new ATOM 0 HG2 GLU A 535 -0.956 -3.673 0.439 1.00 0.36 H new ATOM 0 HG3 GLU A 535 0.444 -3.479 -0.598 1.00 0.36 H new ATOM 406 N ARG A 536 1.872 -1.612 -0.015 1.00 0.38 N ATOM 407 CA ARG A 536 2.676 -0.941 -1.031 1.00 0.44 C ATOM 408 C ARG A 536 3.662 0.044 -0.401 1.00 0.46 C ATOM 409 O ARG A 536 4.834 0.071 -0.767 1.00 0.49 O ATOM 410 CB ARG A 536 1.765 -0.238 -2.039 1.00 0.49 C ATOM 411 CG ARG A 536 2.508 0.485 -3.149 1.00 0.59 C ATOM 412 CD ARG A 536 2.488 1.987 -2.933 1.00 0.65 C ATOM 413 NE ARG A 536 1.170 2.566 -3.198 1.00 0.70 N ATOM 414 CZ ARG A 536 0.919 3.878 -3.189 1.00 0.93 C ATOM 415 NH1 ARG A 536 1.886 4.733 -2.887 1.00 1.38 N ATOM 416 NH2 ARG A 536 -0.302 4.327 -3.463 1.00 0.94 N ATOM 0 H ARG A 536 0.878 -1.386 -0.047 1.00 0.38 H new ATOM 0 HA ARG A 536 3.263 -1.694 -1.557 1.00 0.44 H new ATOM 0 HB2 ARG A 536 1.097 -0.975 -2.484 1.00 0.49 H new ATOM 0 HB3 ARG A 536 1.139 0.480 -1.508 1.00 0.49 H new ATOM 0 HG2 ARG A 536 3.539 0.134 -3.189 1.00 0.59 H new ATOM 0 HG3 ARG A 536 2.053 0.247 -4.110 1.00 0.59 H new ATOM 0 HD2 ARG A 536 2.781 2.209 -1.907 1.00 0.65 H new ATOM 0 HD3 ARG A 536 3.226 2.456 -3.583 1.00 0.65 H new ATOM 0 HE ARG A 536 0.398 1.931 -3.401 1.00 0.70 H new ATOM 0 HH11 ARG A 536 2.819 4.389 -2.662 1.00 1.38 H new ATOM 0 HH12 ARG A 536 1.697 5.735 -2.880 1.00 1.38 H new ATOM 0 HH21 ARG A 536 -1.050 3.669 -3.681 1.00 0.94 H new ATOM 0 HH22 ARG A 536 -0.490 5.329 -3.455 1.00 0.94 H new ATOM 430 N VAL A 537 3.190 0.842 0.551 1.00 0.45 N ATOM 431 CA VAL A 537 4.058 1.791 1.245 1.00 0.49 C ATOM 432 C VAL A 537 5.117 1.044 2.048 1.00 0.45 C ATOM 433 O VAL A 537 6.272 1.460 2.111 1.00 0.48 O ATOM 434 CB VAL A 537 3.274 2.751 2.172 1.00 0.51 C ATOM 435 CG1 VAL A 537 2.248 3.529 1.372 1.00 0.55 C ATOM 436 CG2 VAL A 537 2.599 2.002 3.307 1.00 0.47 C ATOM 0 H VAL A 537 2.218 0.852 0.859 1.00 0.45 H new ATOM 0 HA VAL A 537 4.536 2.402 0.479 1.00 0.49 H new ATOM 0 HB VAL A 537 3.988 3.448 2.612 1.00 0.51 H new ATOM 0 HG11 VAL A 537 1.703 4.201 2.035 1.00 0.55 H new ATOM 0 HG12 VAL A 537 2.753 4.111 0.601 1.00 0.55 H new ATOM 0 HG13 VAL A 537 1.549 2.835 0.904 1.00 0.55 H new ATOM 0 HG21 VAL A 537 2.058 2.708 3.938 1.00 0.47 H new ATOM 0 HG22 VAL A 537 1.901 1.272 2.897 1.00 0.47 H new ATOM 0 HG23 VAL A 537 3.353 1.487 3.903 1.00 0.47 H new ATOM 446 N THR A 538 4.709 -0.058 2.661 1.00 0.40 N ATOM 447 CA THR A 538 5.625 -0.923 3.386 1.00 0.38 C ATOM 448 C THR A 538 6.660 -1.537 2.435 1.00 0.36 C ATOM 449 O THR A 538 7.839 -1.650 2.769 1.00 0.34 O ATOM 450 CB THR A 538 4.845 -2.029 4.118 1.00 0.35 C ATOM 451 OG1 THR A 538 3.983 -1.443 5.103 1.00 0.36 O ATOM 452 CG2 THR A 538 5.779 -3.024 4.777 1.00 0.36 C ATOM 0 H THR A 538 3.740 -0.375 2.669 1.00 0.40 H new ATOM 0 HA THR A 538 6.156 -0.322 4.124 1.00 0.38 H new ATOM 0 HB THR A 538 4.249 -2.567 3.381 1.00 0.35 H new ATOM 0 HG1 THR A 538 3.095 -1.296 4.715 1.00 0.36 H new ATOM 0 HG21 THR A 538 5.194 -3.791 5.285 1.00 0.36 H new ATOM 0 HG22 THR A 538 6.408 -3.490 4.019 1.00 0.36 H new ATOM 0 HG23 THR A 538 6.408 -2.508 5.502 1.00 0.36 H new ATOM 460 N LEU A 539 6.215 -1.900 1.238 1.00 0.37 N ATOM 461 CA LEU A 539 7.089 -2.440 0.214 1.00 0.37 C ATOM 462 C LEU A 539 8.087 -1.369 -0.229 1.00 0.38 C ATOM 463 O LEU A 539 9.271 -1.644 -0.395 1.00 0.35 O ATOM 464 CB LEU A 539 6.218 -2.952 -0.950 1.00 0.42 C ATOM 465 CG LEU A 539 6.929 -3.423 -2.227 1.00 0.47 C ATOM 466 CD1 LEU A 539 7.326 -2.232 -3.079 1.00 0.52 C ATOM 467 CD2 LEU A 539 8.142 -4.287 -1.897 1.00 0.44 C ATOM 0 H LEU A 539 5.238 -1.827 0.954 1.00 0.37 H new ATOM 0 HA LEU A 539 7.672 -3.278 0.597 1.00 0.37 H new ATOM 0 HB2 LEU A 539 5.616 -3.781 -0.578 1.00 0.42 H new ATOM 0 HB3 LEU A 539 5.527 -2.155 -1.226 1.00 0.42 H new ATOM 0 HG LEU A 539 6.233 -4.039 -2.797 1.00 0.47 H new ATOM 0 HD11 LEU A 539 7.829 -2.581 -3.981 1.00 0.52 H new ATOM 0 HD12 LEU A 539 6.434 -1.669 -3.356 1.00 0.52 H new ATOM 0 HD13 LEU A 539 8.000 -1.589 -2.514 1.00 0.52 H new ATOM 0 HD21 LEU A 539 8.624 -4.605 -2.821 1.00 0.44 H new ATOM 0 HD22 LEU A 539 8.848 -3.710 -1.299 1.00 0.44 H new ATOM 0 HD23 LEU A 539 7.822 -5.164 -1.334 1.00 0.44 H new ATOM 479 N GLN A 540 7.599 -0.148 -0.411 1.00 0.43 N ATOM 480 CA GLN A 540 8.465 0.980 -0.743 1.00 0.45 C ATOM 481 C GLN A 540 9.407 1.295 0.411 1.00 0.35 C ATOM 482 O GLN A 540 10.526 1.747 0.204 1.00 0.30 O ATOM 483 CB GLN A 540 7.634 2.207 -1.100 1.00 0.58 C ATOM 484 CG GLN A 540 6.818 2.015 -2.360 1.00 0.69 C ATOM 485 CD GLN A 540 7.684 1.814 -3.589 1.00 0.73 C ATOM 486 OE1 GLN A 540 8.801 2.327 -3.669 1.00 1.05 O ATOM 487 NE2 GLN A 540 7.182 1.063 -4.556 1.00 1.55 N ATOM 0 H GLN A 540 6.610 0.088 -0.335 1.00 0.43 H new ATOM 0 HA GLN A 540 9.065 0.704 -1.610 1.00 0.45 H new ATOM 0 HB2 GLN A 540 6.965 2.441 -0.272 1.00 0.58 H new ATOM 0 HB3 GLN A 540 8.296 3.064 -1.228 1.00 0.58 H new ATOM 0 HG2 GLN A 540 6.163 1.153 -2.237 1.00 0.69 H new ATOM 0 HG3 GLN A 540 6.177 2.884 -2.510 1.00 0.69 H new ATOM 0 HE21 GLN A 540 6.253 0.655 -4.454 1.00 1.55 H new ATOM 0 HE22 GLN A 540 7.724 0.893 -5.403 1.00 1.55 H new ATOM 496 N ASN A 541 8.939 1.053 1.625 1.00 0.37 N ATOM 497 CA ASN A 541 9.779 1.178 2.814 1.00 0.34 C ATOM 498 C ASN A 541 10.915 0.163 2.753 1.00 0.25 C ATOM 499 O ASN A 541 12.067 0.475 3.067 1.00 0.25 O ATOM 500 CB ASN A 541 8.943 0.958 4.080 1.00 0.42 C ATOM 501 CG ASN A 541 9.742 1.128 5.361 1.00 0.49 C ATOM 502 OD1 ASN A 541 10.693 1.908 5.428 1.00 1.08 O ATOM 503 ND2 ASN A 541 9.346 0.406 6.397 1.00 1.21 N ATOM 0 H ASN A 541 7.979 0.768 1.817 1.00 0.37 H new ATOM 0 HA ASN A 541 10.200 2.183 2.845 1.00 0.34 H new ATOM 0 HB2 ASN A 541 8.109 1.660 4.084 1.00 0.42 H new ATOM 0 HB3 ASN A 541 8.516 -0.045 4.056 1.00 0.42 H new ATOM 0 HD21 ASN A 541 9.833 0.485 7.290 1.00 1.21 H new ATOM 0 HD22 ASN A 541 8.554 -0.229 6.303 1.00 1.21 H new ATOM 510 N GLN A 542 10.577 -1.051 2.332 1.00 0.22 N ATOM 511 CA GLN A 542 11.563 -2.103 2.125 1.00 0.21 C ATOM 512 C GLN A 542 12.483 -1.746 0.970 1.00 0.18 C ATOM 513 O GLN A 542 13.685 -1.963 1.034 1.00 0.24 O ATOM 514 CB GLN A 542 10.871 -3.437 1.835 1.00 0.27 C ATOM 515 CG GLN A 542 10.049 -3.959 2.995 1.00 0.33 C ATOM 516 CD GLN A 542 10.893 -4.161 4.239 1.00 1.18 C ATOM 517 OE1 GLN A 542 11.021 -3.263 5.074 1.00 1.94 O ATOM 518 NE2 GLN A 542 11.483 -5.340 4.365 1.00 1.98 N ATOM 0 H GLN A 542 9.618 -1.331 2.126 1.00 0.22 H new ATOM 0 HA GLN A 542 12.153 -2.200 3.036 1.00 0.21 H new ATOM 0 HB2 GLN A 542 10.224 -3.319 0.966 1.00 0.27 H new ATOM 0 HB3 GLN A 542 11.626 -4.179 1.573 1.00 0.27 H new ATOM 0 HG2 GLN A 542 9.243 -3.259 3.213 1.00 0.33 H new ATOM 0 HG3 GLN A 542 9.584 -4.904 2.714 1.00 0.33 H new ATOM 0 HE21 GLN A 542 11.350 -6.056 3.650 1.00 1.98 H new ATOM 0 HE22 GLN A 542 12.070 -5.532 5.177 1.00 1.98 H new ATOM 527 N LEU A 543 11.904 -1.192 -0.083 1.00 0.19 N ATOM 528 CA LEU A 543 12.670 -0.783 -1.250 1.00 0.23 C ATOM 529 C LEU A 543 13.596 0.373 -0.888 1.00 0.16 C ATOM 530 O LEU A 543 14.694 0.487 -1.421 1.00 0.24 O ATOM 531 CB LEU A 543 11.730 -0.395 -2.398 1.00 0.34 C ATOM 532 CG LEU A 543 12.395 -0.254 -3.771 1.00 0.46 C ATOM 533 CD1 LEU A 543 11.405 -0.598 -4.873 1.00 0.61 C ATOM 534 CD2 LEU A 543 12.934 1.154 -3.980 1.00 0.43 C ATOM 0 H LEU A 543 10.902 -1.015 -0.154 1.00 0.19 H new ATOM 0 HA LEU A 543 13.281 -1.621 -1.584 1.00 0.23 H new ATOM 0 HB2 LEU A 543 10.942 -1.145 -2.470 1.00 0.34 H new ATOM 0 HB3 LEU A 543 11.248 0.550 -2.147 1.00 0.34 H new ATOM 0 HG LEU A 543 13.233 -0.950 -3.810 1.00 0.46 H new ATOM 0 HD11 LEU A 543 11.890 -0.494 -5.843 1.00 0.61 H new ATOM 0 HD12 LEU A 543 11.063 -1.625 -4.747 1.00 0.61 H new ATOM 0 HD13 LEU A 543 10.552 0.078 -4.820 1.00 0.61 H new ATOM 0 HD21 LEU A 543 13.400 1.223 -4.963 1.00 0.43 H new ATOM 0 HD22 LEU A 543 12.115 1.870 -3.916 1.00 0.43 H new ATOM 0 HD23 LEU A 543 13.674 1.378 -3.211 1.00 0.43 H new ATOM 546 N GLN A 544 13.151 1.217 0.030 1.00 0.11 N ATOM 547 CA GLN A 544 13.981 2.279 0.561 1.00 0.20 C ATOM 548 C GLN A 544 15.172 1.675 1.301 1.00 0.29 C ATOM 549 O GLN A 544 16.308 2.115 1.137 1.00 0.37 O ATOM 550 CB GLN A 544 13.154 3.172 1.486 1.00 0.32 C ATOM 551 CG GLN A 544 13.970 4.197 2.237 1.00 0.49 C ATOM 552 CD GLN A 544 13.117 5.082 3.118 1.00 0.78 C ATOM 553 OE1 GLN A 544 12.655 6.139 2.695 1.00 1.34 O ATOM 554 NE2 GLN A 544 12.888 4.647 4.345 1.00 1.64 N ATOM 0 H GLN A 544 12.211 1.183 0.424 1.00 0.11 H new ATOM 0 HA GLN A 544 14.358 2.894 -0.256 1.00 0.20 H new ATOM 0 HB2 GLN A 544 12.396 3.687 0.896 1.00 0.32 H new ATOM 0 HB3 GLN A 544 12.626 2.545 2.204 1.00 0.32 H new ATOM 0 HG2 GLN A 544 14.713 3.687 2.850 1.00 0.49 H new ATOM 0 HG3 GLN A 544 14.515 4.816 1.524 1.00 0.49 H new ATOM 0 HE21 GLN A 544 13.291 3.763 4.656 1.00 1.64 H new ATOM 0 HE22 GLN A 544 12.308 5.195 4.980 1.00 1.64 H new ATOM 563 N GLN A 545 14.897 0.656 2.109 1.00 0.33 N ATOM 564 CA GLN A 545 15.933 -0.116 2.759 1.00 0.47 C ATOM 565 C GLN A 545 16.826 -0.783 1.717 1.00 0.50 C ATOM 566 O GLN A 545 18.037 -0.858 1.879 1.00 0.63 O ATOM 567 CB GLN A 545 15.286 -1.178 3.639 1.00 0.53 C ATOM 568 CG GLN A 545 16.276 -1.970 4.451 1.00 1.16 C ATOM 569 CD GLN A 545 15.624 -3.113 5.202 1.00 1.53 C ATOM 570 OE1 GLN A 545 14.467 -3.026 5.604 1.00 1.91 O ATOM 571 NE2 GLN A 545 16.359 -4.198 5.386 1.00 2.20 N ATOM 0 H GLN A 545 13.949 0.348 2.327 1.00 0.33 H new ATOM 0 HA GLN A 545 16.546 0.546 3.371 1.00 0.47 H new ATOM 0 HB2 GLN A 545 14.577 -0.697 4.313 1.00 0.53 H new ATOM 0 HB3 GLN A 545 14.715 -1.861 3.010 1.00 0.53 H new ATOM 0 HG2 GLN A 545 17.048 -2.366 3.792 1.00 1.16 H new ATOM 0 HG3 GLN A 545 16.772 -1.308 5.161 1.00 1.16 H new ATOM 0 HE21 GLN A 545 17.317 -4.231 5.036 1.00 2.20 H new ATOM 0 HE22 GLN A 545 15.968 -5.002 5.877 1.00 2.20 H new ATOM 580 N PHE A 546 16.203 -1.255 0.647 1.00 0.42 N ATOM 581 CA PHE A 546 16.891 -1.960 -0.423 1.00 0.53 C ATOM 582 C PHE A 546 17.829 -1.032 -1.195 1.00 0.61 C ATOM 583 O PHE A 546 18.987 -1.373 -1.424 1.00 0.77 O ATOM 584 CB PHE A 546 15.843 -2.608 -1.343 1.00 0.54 C ATOM 585 CG PHE A 546 16.245 -2.720 -2.783 1.00 0.68 C ATOM 586 CD1 PHE A 546 17.114 -3.712 -3.210 1.00 1.26 C ATOM 587 CD2 PHE A 546 15.741 -1.827 -3.713 1.00 0.93 C ATOM 588 CE1 PHE A 546 17.468 -3.807 -4.540 1.00 1.38 C ATOM 589 CE2 PHE A 546 16.094 -1.915 -5.039 1.00 1.03 C ATOM 590 CZ PHE A 546 16.958 -2.907 -5.455 1.00 0.99 C ATOM 0 H PHE A 546 15.199 -1.158 0.496 1.00 0.42 H new ATOM 0 HA PHE A 546 17.521 -2.740 0.005 1.00 0.53 H new ATOM 0 HB2 PHE A 546 15.618 -3.606 -0.966 1.00 0.54 H new ATOM 0 HB3 PHE A 546 14.921 -2.029 -1.283 1.00 0.54 H new ATOM 0 HD1 PHE A 546 17.517 -4.416 -2.496 1.00 1.26 H new ATOM 0 HD2 PHE A 546 15.062 -1.051 -3.393 1.00 0.93 H new ATOM 0 HE1 PHE A 546 18.143 -4.584 -4.865 1.00 1.38 H new ATOM 0 HE2 PHE A 546 15.696 -1.209 -5.753 1.00 1.03 H new ATOM 0 HZ PHE A 546 17.235 -2.980 -6.496 1.00 0.99 H new ATOM 600 N LEU A 547 17.337 0.137 -1.588 1.00 0.53 N ATOM 601 CA LEU A 547 18.157 1.106 -2.300 1.00 0.64 C ATOM 602 C LEU A 547 19.294 1.592 -1.409 1.00 0.74 C ATOM 603 O LEU A 547 20.403 1.853 -1.873 1.00 0.89 O ATOM 604 CB LEU A 547 17.293 2.267 -2.820 1.00 0.59 C ATOM 605 CG LEU A 547 16.643 3.188 -1.779 1.00 0.50 C ATOM 606 CD1 LEU A 547 17.586 4.307 -1.380 1.00 0.66 C ATOM 607 CD2 LEU A 547 15.343 3.762 -2.321 1.00 0.46 C ATOM 0 H LEU A 547 16.375 0.435 -1.425 1.00 0.53 H new ATOM 0 HA LEU A 547 18.605 0.624 -3.169 1.00 0.64 H new ATOM 0 HB2 LEU A 547 17.913 2.882 -3.472 1.00 0.59 H new ATOM 0 HB3 LEU A 547 16.500 1.846 -3.438 1.00 0.59 H new ATOM 0 HG LEU A 547 16.424 2.595 -0.891 1.00 0.50 H new ATOM 0 HD11 LEU A 547 17.101 4.945 -0.641 1.00 0.66 H new ATOM 0 HD12 LEU A 547 18.494 3.882 -0.952 1.00 0.66 H new ATOM 0 HD13 LEU A 547 17.841 4.899 -2.259 1.00 0.66 H new ATOM 0 HD21 LEU A 547 14.893 4.413 -1.572 1.00 0.46 H new ATOM 0 HD22 LEU A 547 15.547 4.336 -3.225 1.00 0.46 H new ATOM 0 HD23 LEU A 547 14.656 2.949 -2.555 1.00 0.46 H new ATOM 619 N GLU A 548 19.007 1.700 -0.125 1.00 0.69 N ATOM 620 CA GLU A 548 20.028 2.023 0.855 1.00 0.85 C ATOM 621 C GLU A 548 20.995 0.862 1.052 1.00 0.97 C ATOM 622 O GLU A 548 22.180 1.073 1.297 1.00 1.12 O ATOM 623 CB GLU A 548 19.413 2.448 2.185 1.00 0.87 C ATOM 624 CG GLU A 548 18.941 3.891 2.179 1.00 0.88 C ATOM 625 CD GLU A 548 20.017 4.832 1.674 1.00 1.55 C ATOM 626 OE1 GLU A 548 20.990 5.089 2.419 1.00 1.98 O ATOM 627 OE2 GLU A 548 19.902 5.313 0.526 1.00 2.23 O ATOM 0 H GLU A 548 18.073 1.569 0.264 1.00 0.69 H new ATOM 0 HA GLU A 548 20.593 2.869 0.464 1.00 0.85 H new ATOM 0 HB2 GLU A 548 18.571 1.796 2.416 1.00 0.87 H new ATOM 0 HB3 GLU A 548 20.147 2.314 2.979 1.00 0.87 H new ATOM 0 HG2 GLU A 548 18.055 3.981 1.551 1.00 0.88 H new ATOM 0 HG3 GLU A 548 18.648 4.182 3.188 1.00 0.88 H new ATOM 634 N ALA A 549 20.486 -0.360 0.965 1.00 0.93 N ATOM 635 CA ALA A 549 21.332 -1.544 0.995 1.00 1.09 C ATOM 636 C ALA A 549 22.286 -1.537 -0.193 1.00 1.20 C ATOM 637 O ALA A 549 23.432 -1.970 -0.083 1.00 1.35 O ATOM 638 CB ALA A 549 20.487 -2.811 0.998 1.00 1.06 C ATOM 0 H ALA A 549 19.489 -0.556 0.873 1.00 0.93 H new ATOM 0 HA ALA A 549 21.919 -1.528 1.913 1.00 1.09 H new ATOM 0 HB1 ALA A 549 21.140 -3.684 1.021 1.00 1.06 H new ATOM 0 HB2 ALA A 549 19.843 -2.817 1.877 1.00 1.06 H new ATOM 0 HB3 ALA A 549 19.873 -2.841 0.098 1.00 1.06 H new ATOM 644 N GLN A 550 21.802 -1.035 -1.328 1.00 1.15 N ATOM 645 CA GLN A 550 22.645 -0.851 -2.501 1.00 1.31 C ATOM 646 C GLN A 550 23.745 0.151 -2.191 1.00 1.43 C ATOM 647 O GLN A 550 24.896 -0.031 -2.595 1.00 1.65 O ATOM 648 CB GLN A 550 21.830 -0.368 -3.701 1.00 1.26 C ATOM 649 CG GLN A 550 20.709 -1.308 -4.096 1.00 1.20 C ATOM 650 CD GLN A 550 20.067 -0.930 -5.417 1.00 1.71 C ATOM 651 OE1 GLN A 550 19.101 -0.169 -5.460 1.00 2.38 O ATOM 652 NE2 GLN A 550 20.605 -1.455 -6.506 1.00 2.29 N ATOM 0 H GLN A 550 20.831 -0.750 -1.457 1.00 1.15 H new ATOM 0 HA GLN A 550 23.086 -1.815 -2.756 1.00 1.31 H new ATOM 0 HB2 GLN A 550 21.408 0.610 -3.472 1.00 1.26 H new ATOM 0 HB3 GLN A 550 22.498 -0.235 -4.552 1.00 1.26 H new ATOM 0 HG2 GLN A 550 21.099 -2.324 -4.164 1.00 1.20 H new ATOM 0 HG3 GLN A 550 19.949 -1.309 -3.315 1.00 1.20 H new ATOM 0 HE21 GLN A 550 21.406 -2.082 -6.428 1.00 2.29 H new ATOM 0 HE22 GLN A 550 20.219 -1.233 -7.424 1.00 2.29 H new ATOM 661 N LYS A 551 23.382 1.213 -1.468 1.00 1.33 N ATOM 662 CA LYS A 551 24.363 2.178 -0.983 1.00 1.50 C ATOM 663 C LYS A 551 25.410 1.457 -0.152 1.00 1.72 C ATOM 664 O LYS A 551 26.597 1.611 -0.383 1.00 2.01 O ATOM 665 CB LYS A 551 23.728 3.260 -0.108 1.00 1.43 C ATOM 666 CG LYS A 551 22.591 4.041 -0.738 1.00 1.36 C ATOM 667 CD LYS A 551 22.996 4.746 -2.013 1.00 1.66 C ATOM 668 CE LYS A 551 22.023 5.867 -2.324 1.00 1.93 C ATOM 669 NZ LYS A 551 20.608 5.413 -2.300 1.00 2.36 N ATOM 0 H LYS A 551 22.418 1.423 -1.208 1.00 1.33 H new ATOM 0 HA LYS A 551 24.806 2.655 -1.858 1.00 1.50 H new ATOM 0 HB2 LYS A 551 23.359 2.791 0.804 1.00 1.43 H new ATOM 0 HB3 LYS A 551 24.506 3.964 0.187 1.00 1.43 H new ATOM 0 HG2 LYS A 551 21.765 3.362 -0.951 1.00 1.36 H new ATOM 0 HG3 LYS A 551 22.223 4.777 -0.023 1.00 1.36 H new ATOM 0 HD2 LYS A 551 24.004 5.148 -1.910 1.00 1.66 H new ATOM 0 HD3 LYS A 551 23.019 4.035 -2.839 1.00 1.66 H new ATOM 0 HE2 LYS A 551 22.156 6.671 -1.600 1.00 1.93 H new ATOM 0 HE3 LYS A 551 22.252 6.281 -3.306 1.00 1.93 H new ATOM 0 HZ1 LYS A 551 20.016 6.094 -2.817 1.00 2.36 H new ATOM 0 HZ2 LYS A 551 20.535 4.479 -2.751 1.00 2.36 H new ATOM 0 HZ3 LYS A 551 20.281 5.348 -1.315 1.00 2.36 H new ATOM 683 N SER A 552 24.946 0.660 0.807 1.00 1.61 N ATOM 684 CA SER A 552 25.826 -0.068 1.713 1.00 1.82 C ATOM 685 C SER A 552 26.809 -0.960 0.955 1.00 1.95 C ATOM 686 O SER A 552 27.978 -1.060 1.323 1.00 2.23 O ATOM 687 CB SER A 552 24.992 -0.897 2.693 1.00 1.69 C ATOM 688 OG SER A 552 24.066 -0.069 3.381 1.00 1.76 O ATOM 0 H SER A 552 23.953 0.502 0.977 1.00 1.61 H new ATOM 0 HA SER A 552 26.415 0.661 2.269 1.00 1.82 H new ATOM 0 HB2 SER A 552 24.458 -1.680 2.154 1.00 1.69 H new ATOM 0 HB3 SER A 552 25.648 -1.393 3.409 1.00 1.69 H new ATOM 0 HG SER A 552 23.346 0.194 2.771 1.00 1.76 H new ATOM 694 N GLU A 553 26.335 -1.592 -0.113 1.00 1.81 N ATOM 695 CA GLU A 553 27.189 -2.441 -0.933 1.00 2.00 C ATOM 696 C GLU A 553 28.236 -1.609 -1.671 1.00 2.25 C ATOM 697 O GLU A 553 29.394 -2.013 -1.791 1.00 2.55 O ATOM 698 CB GLU A 553 26.350 -3.235 -1.932 1.00 1.88 C ATOM 699 CG GLU A 553 25.390 -4.204 -1.270 1.00 1.75 C ATOM 700 CD GLU A 553 26.095 -5.307 -0.508 1.00 1.97 C ATOM 701 OE1 GLU A 553 26.585 -6.259 -1.151 1.00 1.91 O ATOM 702 OE2 GLU A 553 26.156 -5.238 0.735 1.00 2.46 O ATOM 0 H GLU A 553 25.367 -1.532 -0.430 1.00 1.81 H new ATOM 0 HA GLU A 553 27.706 -3.138 -0.274 1.00 2.00 H new ATOM 0 HB2 GLU A 553 25.784 -2.541 -2.554 1.00 1.88 H new ATOM 0 HB3 GLU A 553 27.014 -3.788 -2.596 1.00 1.88 H new ATOM 0 HG2 GLU A 553 24.742 -3.655 -0.587 1.00 1.75 H new ATOM 0 HG3 GLU A 553 24.748 -4.648 -2.031 1.00 1.75 H new ATOM 709 N GLY A 554 27.829 -0.436 -2.144 1.00 2.16 N ATOM 710 CA GLY A 554 28.731 0.422 -2.889 1.00 2.43 C ATOM 711 C GLY A 554 29.663 1.215 -1.992 1.00 2.68 C ATOM 712 O GLY A 554 30.836 1.394 -2.312 1.00 2.98 O ATOM 0 H GLY A 554 26.887 -0.063 -2.024 1.00 2.16 H new ATOM 0 HA2 GLY A 554 29.323 -0.187 -3.572 1.00 2.43 H new ATOM 0 HA3 GLY A 554 28.148 1.111 -3.500 1.00 2.43 H new ATOM 716 N LYS A 555 29.140 1.686 -0.867 1.00 2.59 N ATOM 717 CA LYS A 555 29.913 2.501 0.065 1.00 2.88 C ATOM 718 C LYS A 555 30.867 1.641 0.883 1.00 3.09 C ATOM 719 O LYS A 555 31.706 2.158 1.621 1.00 3.44 O ATOM 720 CB LYS A 555 28.974 3.286 0.988 1.00 2.82 C ATOM 721 CG LYS A 555 28.333 2.463 2.091 1.00 2.71 C ATOM 722 CD LYS A 555 27.214 3.243 2.767 1.00 2.71 C ATOM 723 CE LYS A 555 26.552 2.438 3.872 1.00 2.99 C ATOM 724 NZ LYS A 555 25.381 3.149 4.454 1.00 3.58 N ATOM 0 H LYS A 555 28.177 1.517 -0.576 1.00 2.59 H new ATOM 0 HA LYS A 555 30.509 3.207 -0.514 1.00 2.88 H new ATOM 0 HB2 LYS A 555 29.533 4.104 1.442 1.00 2.82 H new ATOM 0 HB3 LYS A 555 28.186 3.736 0.384 1.00 2.82 H new ATOM 0 HG2 LYS A 555 27.937 1.536 1.676 1.00 2.71 H new ATOM 0 HG3 LYS A 555 29.086 2.186 2.829 1.00 2.71 H new ATOM 0 HD2 LYS A 555 27.615 4.168 3.182 1.00 2.71 H new ATOM 0 HD3 LYS A 555 26.467 3.524 2.025 1.00 2.71 H new ATOM 0 HE2 LYS A 555 26.231 1.474 3.476 1.00 2.99 H new ATOM 0 HE3 LYS A 555 27.279 2.234 4.658 1.00 2.99 H new ATOM 0 HZ1 LYS A 555 24.958 2.566 5.204 1.00 3.58 H new ATOM 0 HZ2 LYS A 555 25.690 4.057 4.855 1.00 3.58 H new ATOM 0 HZ3 LYS A 555 24.675 3.321 3.710 1.00 3.58 H new ATOM 738 N SER A 556 30.715 0.329 0.760 1.00 2.91 N ATOM 739 CA SER A 556 31.628 -0.610 1.390 1.00 3.12 C ATOM 740 C SER A 556 33.035 -0.400 0.830 1.00 3.40 C ATOM 741 O SER A 556 33.947 0.004 1.557 1.00 3.67 O ATOM 742 CB SER A 556 31.151 -2.049 1.151 1.00 2.84 C ATOM 743 OG SER A 556 31.936 -2.989 1.872 1.00 3.07 O ATOM 0 H SER A 556 29.964 -0.109 0.227 1.00 2.91 H new ATOM 0 HA SER A 556 31.649 -0.436 2.466 1.00 3.12 H new ATOM 0 HB2 SER A 556 30.107 -2.141 1.450 1.00 2.84 H new ATOM 0 HB3 SER A 556 31.198 -2.276 0.086 1.00 2.84 H new ATOM 0 HG SER A 556 31.604 -3.894 1.698 1.00 3.07 H new ATOM 749 N LEU A 557 33.185 -0.655 -0.470 1.00 3.70 N ATOM 750 CA LEU A 557 34.426 -0.394 -1.195 1.00 4.05 C ATOM 751 C LEU A 557 34.262 -0.832 -2.647 1.00 4.48 C ATOM 752 O LEU A 557 35.165 -1.503 -3.189 1.00 4.98 O ATOM 753 CB LEU A 557 35.611 -1.129 -0.554 1.00 4.73 C ATOM 754 CG LEU A 557 36.992 -0.688 -1.049 1.00 5.04 C ATOM 755 CD1 LEU A 557 37.226 0.790 -0.764 1.00 5.74 C ATOM 756 CD2 LEU A 557 38.079 -1.532 -0.408 1.00 5.35 C ATOM 757 OXT LEU A 557 33.194 -0.553 -3.225 1.00 4.73 O ATOM 0 H LEU A 557 32.445 -1.050 -1.051 1.00 3.70 H new ATOM 0 HA LEU A 557 34.635 0.675 -1.152 1.00 4.05 H new ATOM 0 HB2 LEU A 557 35.566 -0.986 0.526 1.00 4.73 H new ATOM 0 HB3 LEU A 557 35.500 -2.197 -0.739 1.00 4.73 H new ATOM 0 HG LEU A 557 37.029 -0.834 -2.128 1.00 5.04 H new ATOM 0 HD11 LEU A 557 38.213 1.078 -1.125 1.00 5.74 H new ATOM 0 HD12 LEU A 557 36.466 1.383 -1.273 1.00 5.74 H new ATOM 0 HD13 LEU A 557 37.166 0.967 0.310 1.00 5.74 H new ATOM 0 HD21 LEU A 557 39.054 -1.206 -0.770 1.00 5.35 H new ATOM 0 HD22 LEU A 557 38.037 -1.417 0.675 1.00 5.35 H new ATOM 0 HD23 LEU A 557 37.927 -2.580 -0.668 1.00 5.35 H new TER 769 LEU A 557