USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 394 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 541 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Set 1.2: A 544 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Set 2.1: A 514 THR OG1 : rot -101:sc= 1.36 USER MOD Set 2.2: A 515 CYS SG : rot 112:sc= 1.28 USER MOD Single : A 511 SER OG : rot 180:sc= 0 USER MOD Single : A 516 MET CE :methyl 149:sc= -0.103 (180deg=-0.727) USER MOD Single : A 517 SER OG : rot 73:sc= 0.971 USER MOD Single : A 520 SER OG : rot 85:sc= 1.28 USER MOD Single : A 521 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.12) USER MOD Single : A 524 LYS NZ :NH3+ 164:sc= -0.0188 (180deg=-0.261) 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 :FLIP amide:sc= -0.0437 F(o=-0.94,f=-0.044) USER MOD Single : A 530 LYS NZ :NH3+ -163:sc= -0.0823 (180deg=-0.444) USER MOD Single : A 532 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 533 THR OG1 : rot 89:sc= 1.28 USER MOD Single : A 538 THR OG1 : rot 88:sc= 1.15 USER MOD Single : A 540 GLN :FLIP amide:sc= -0.0934 F(o=-1.3,f=-0.093) USER MOD Single : A 542 GLN :FLIP amide:sc= -0.0181 F(o=-1.3,f=-0.018) USER MOD Single : A 545 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.03) USER MOD Single : A 550 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.62) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 556 SER OG : rot 180:sc= 0.122 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 510 -31.794 -5.140 -11.297 1.00 9.10 N ATOM 2 CA GLY A 510 -33.128 -4.516 -11.177 1.00 8.55 C ATOM 3 C GLY A 510 -33.214 -3.593 -9.979 1.00 7.83 C ATOM 4 O GLY A 510 -32.751 -2.452 -10.032 1.00 8.04 O ATOM 0 HA2 GLY A 510 -33.349 -3.954 -12.085 1.00 8.55 H new ATOM 0 HA3 GLY A 510 -33.886 -5.294 -11.091 1.00 8.55 H new ATOM 10 N SER A 511 -33.794 -4.086 -8.896 1.00 7.22 N ATOM 11 CA SER A 511 -33.986 -3.284 -7.701 1.00 6.73 C ATOM 12 C SER A 511 -32.821 -3.440 -6.726 1.00 6.19 C ATOM 13 O SER A 511 -32.070 -2.492 -6.481 1.00 5.90 O ATOM 14 CB SER A 511 -35.290 -3.685 -7.016 1.00 6.95 C ATOM 15 OG SER A 511 -36.375 -3.656 -7.932 1.00 7.47 O ATOM 0 H SER A 511 -34.141 -5.042 -8.821 1.00 7.22 H new ATOM 0 HA SER A 511 -34.033 -2.238 -8.002 1.00 6.73 H new ATOM 0 HB2 SER A 511 -35.191 -4.686 -6.595 1.00 6.95 H new ATOM 0 HB3 SER A 511 -35.492 -3.008 -6.186 1.00 6.95 H new ATOM 0 HG SER A 511 -37.199 -3.918 -7.471 1.00 7.47 H new ATOM 21 N VAL A 512 -32.669 -4.639 -6.182 1.00 6.20 N ATOM 22 CA VAL A 512 -31.722 -4.864 -5.099 1.00 5.78 C ATOM 23 C VAL A 512 -30.414 -5.480 -5.587 1.00 5.49 C ATOM 24 O VAL A 512 -29.343 -4.923 -5.356 1.00 5.11 O ATOM 25 CB VAL A 512 -32.337 -5.775 -4.014 1.00 6.06 C ATOM 26 CG1 VAL A 512 -31.351 -6.012 -2.882 1.00 5.88 C ATOM 27 CG2 VAL A 512 -33.627 -5.177 -3.478 1.00 6.40 C ATOM 0 H VAL A 512 -33.187 -5.468 -6.471 1.00 6.20 H new ATOM 0 HA VAL A 512 -31.498 -3.884 -4.677 1.00 5.78 H new ATOM 0 HB VAL A 512 -32.567 -6.736 -4.473 1.00 6.06 H new ATOM 0 HG11 VAL A 512 -31.808 -6.656 -2.131 1.00 5.88 H new ATOM 0 HG12 VAL A 512 -30.454 -6.492 -3.275 1.00 5.88 H new ATOM 0 HG13 VAL A 512 -31.083 -5.058 -2.427 1.00 5.88 H new ATOM 0 HG21 VAL A 512 -34.043 -5.835 -2.715 1.00 6.40 H new ATOM 0 HG22 VAL A 512 -33.421 -4.200 -3.042 1.00 6.40 H new ATOM 0 HG23 VAL A 512 -34.343 -5.067 -4.292 1.00 6.40 H new ATOM 37 N GLU A 513 -30.507 -6.611 -6.280 1.00 5.73 N ATOM 38 CA GLU A 513 -29.332 -7.428 -6.587 1.00 5.58 C ATOM 39 C GLU A 513 -28.241 -6.643 -7.326 1.00 5.26 C ATOM 40 O GLU A 513 -27.076 -6.684 -6.928 1.00 4.95 O ATOM 41 CB GLU A 513 -29.723 -8.686 -7.379 1.00 6.03 C ATOM 42 CG GLU A 513 -30.312 -8.437 -8.766 1.00 6.54 C ATOM 43 CD GLU A 513 -31.588 -7.627 -8.737 1.00 7.02 C ATOM 44 OE1 GLU A 513 -32.645 -8.199 -8.407 1.00 7.27 O ATOM 45 OE2 GLU A 513 -31.545 -6.425 -9.070 1.00 7.40 O ATOM 0 H GLU A 513 -31.384 -6.985 -6.641 1.00 5.73 H new ATOM 0 HA GLU A 513 -28.911 -7.734 -5.629 1.00 5.58 H new ATOM 0 HB2 GLU A 513 -28.839 -9.315 -7.487 1.00 6.03 H new ATOM 0 HB3 GLU A 513 -30.447 -9.252 -6.793 1.00 6.03 H new ATOM 0 HG2 GLU A 513 -29.574 -7.918 -9.379 1.00 6.54 H new ATOM 0 HG3 GLU A 513 -30.509 -9.395 -9.247 1.00 6.54 H new ATOM 52 N THR A 514 -28.615 -5.908 -8.367 1.00 5.38 N ATOM 53 CA THR A 514 -27.638 -5.187 -9.171 1.00 5.15 C ATOM 54 C THR A 514 -26.967 -4.077 -8.372 1.00 4.74 C ATOM 55 O THR A 514 -25.741 -3.957 -8.369 1.00 4.68 O ATOM 56 CB THR A 514 -28.282 -4.593 -10.435 1.00 5.39 C ATOM 57 OG1 THR A 514 -29.537 -3.985 -10.100 1.00 5.70 O ATOM 58 CG2 THR A 514 -28.491 -5.666 -11.493 1.00 5.67 C ATOM 0 H THR A 514 -29.582 -5.796 -8.672 1.00 5.38 H new ATOM 0 HA THR A 514 -26.880 -5.911 -9.469 1.00 5.15 H new ATOM 0 HB THR A 514 -27.610 -3.838 -10.842 1.00 5.39 H new ATOM 0 HG1 THR A 514 -30.269 -4.589 -10.345 1.00 5.70 H new ATOM 0 HG21 THR A 514 -28.948 -5.221 -12.377 1.00 5.67 H new ATOM 0 HG22 THR A 514 -27.530 -6.104 -11.762 1.00 5.67 H new ATOM 0 HG23 THR A 514 -29.146 -6.443 -11.099 1.00 5.67 H new ATOM 66 N CYS A 515 -27.776 -3.283 -7.683 1.00 4.56 N ATOM 67 CA CYS A 515 -27.269 -2.174 -6.888 1.00 4.21 C ATOM 68 C CYS A 515 -26.405 -2.689 -5.743 1.00 3.93 C ATOM 69 O CYS A 515 -25.401 -2.077 -5.381 1.00 3.56 O ATOM 70 CB CYS A 515 -28.428 -1.345 -6.338 1.00 4.40 C ATOM 71 SG CYS A 515 -29.684 -0.936 -7.577 1.00 4.96 S ATOM 0 H CYS A 515 -28.790 -3.388 -7.659 1.00 4.56 H new ATOM 0 HA CYS A 515 -26.656 -1.542 -7.530 1.00 4.21 H new ATOM 0 HB2 CYS A 515 -28.900 -1.893 -5.522 1.00 4.40 H new ATOM 0 HB3 CYS A 515 -28.033 -0.421 -5.915 1.00 4.40 H new ATOM 0 HG CYS A 515 -30.790 -1.560 -7.296 1.00 4.96 H new ATOM 77 N MET A 516 -26.806 -3.815 -5.172 1.00 4.13 N ATOM 78 CA MET A 516 -26.035 -4.440 -4.109 1.00 3.95 C ATOM 79 C MET A 516 -24.673 -4.893 -4.624 1.00 3.70 C ATOM 80 O MET A 516 -23.657 -4.689 -3.961 1.00 3.40 O ATOM 81 CB MET A 516 -26.798 -5.626 -3.514 1.00 4.28 C ATOM 82 CG MET A 516 -26.043 -6.332 -2.400 1.00 4.27 C ATOM 83 SD MET A 516 -26.991 -7.669 -1.651 1.00 4.83 S ATOM 84 CE MET A 516 -27.195 -8.764 -3.055 1.00 5.80 C ATOM 0 H MET A 516 -27.659 -4.313 -5.426 1.00 4.13 H new ATOM 0 HA MET A 516 -25.879 -3.699 -3.325 1.00 3.95 H new ATOM 0 HB2 MET A 516 -27.756 -5.276 -3.129 1.00 4.28 H new ATOM 0 HB3 MET A 516 -27.016 -6.343 -4.306 1.00 4.28 H new ATOM 0 HG2 MET A 516 -25.110 -6.732 -2.797 1.00 4.27 H new ATOM 0 HG3 MET A 516 -25.777 -5.607 -1.631 1.00 4.27 H new ATOM 0 HE1 MET A 516 -27.239 -9.796 -2.708 1.00 5.80 H new ATOM 0 HE2 MET A 516 -28.119 -8.517 -3.578 1.00 5.80 H new ATOM 0 HE3 MET A 516 -26.351 -8.645 -3.735 1.00 5.80 H new ATOM 94 N SER A 517 -24.651 -5.480 -5.817 1.00 3.87 N ATOM 95 CA SER A 517 -23.415 -5.995 -6.392 1.00 3.73 C ATOM 96 C SER A 517 -22.437 -4.871 -6.721 1.00 3.38 C ATOM 97 O SER A 517 -21.261 -4.951 -6.377 1.00 3.11 O ATOM 98 CB SER A 517 -23.713 -6.818 -7.644 1.00 4.09 C ATOM 99 OG SER A 517 -24.560 -7.912 -7.337 1.00 4.52 O ATOM 0 H SER A 517 -25.475 -5.610 -6.403 1.00 3.87 H new ATOM 0 HA SER A 517 -22.947 -6.637 -5.646 1.00 3.73 H new ATOM 0 HB2 SER A 517 -24.186 -6.186 -8.396 1.00 4.09 H new ATOM 0 HB3 SER A 517 -22.781 -7.184 -8.075 1.00 4.09 H new ATOM 0 HG SER A 517 -25.470 -7.586 -7.174 1.00 4.52 H new ATOM 105 N LEU A 518 -22.922 -3.812 -7.367 1.00 3.41 N ATOM 106 CA LEU A 518 -22.052 -2.701 -7.733 1.00 3.15 C ATOM 107 C LEU A 518 -21.515 -1.985 -6.497 1.00 2.83 C ATOM 108 O LEU A 518 -20.348 -1.599 -6.455 1.00 2.54 O ATOM 109 CB LEU A 518 -22.744 -1.720 -8.700 1.00 3.32 C ATOM 110 CG LEU A 518 -24.182 -1.292 -8.378 1.00 3.52 C ATOM 111 CD1 LEU A 518 -24.216 -0.160 -7.364 1.00 3.34 C ATOM 112 CD2 LEU A 518 -24.906 -0.883 -9.650 1.00 3.86 C ATOM 0 H LEU A 518 -23.898 -3.702 -7.643 1.00 3.41 H new ATOM 0 HA LEU A 518 -21.200 -3.123 -8.266 1.00 3.15 H new ATOM 0 HB2 LEU A 518 -22.132 -0.820 -8.759 1.00 3.32 H new ATOM 0 HB3 LEU A 518 -22.743 -2.171 -9.692 1.00 3.32 H new ATOM 0 HG LEU A 518 -24.692 -2.148 -7.936 1.00 3.52 H new ATOM 0 HD11 LEU A 518 -25.251 0.116 -7.161 1.00 3.34 H new ATOM 0 HD12 LEU A 518 -23.739 -0.485 -6.439 1.00 3.34 H new ATOM 0 HD13 LEU A 518 -23.682 0.702 -7.763 1.00 3.34 H new ATOM 0 HD21 LEU A 518 -25.925 -0.582 -9.408 1.00 3.86 H new ATOM 0 HD22 LEU A 518 -24.381 -0.048 -10.115 1.00 3.86 H new ATOM 0 HD23 LEU A 518 -24.931 -1.726 -10.341 1.00 3.86 H new ATOM 124 N ALA A 519 -22.359 -1.838 -5.487 1.00 2.92 N ATOM 125 CA ALA A 519 -21.949 -1.224 -4.231 1.00 2.71 C ATOM 126 C ALA A 519 -20.912 -2.089 -3.524 1.00 2.50 C ATOM 127 O ALA A 519 -19.925 -1.580 -2.995 1.00 2.24 O ATOM 128 CB ALA A 519 -23.158 -1.005 -3.335 1.00 2.96 C ATOM 0 H ALA A 519 -23.334 -2.136 -5.512 1.00 2.92 H new ATOM 0 HA ALA A 519 -21.496 -0.257 -4.450 1.00 2.71 H new ATOM 0 HB1 ALA A 519 -22.839 -0.546 -2.399 1.00 2.96 H new ATOM 0 HB2 ALA A 519 -23.869 -0.349 -3.837 1.00 2.96 H new ATOM 0 HB3 ALA A 519 -23.634 -1.963 -3.125 1.00 2.96 H new ATOM 134 N SER A 520 -21.139 -3.399 -3.526 1.00 2.66 N ATOM 135 CA SER A 520 -20.190 -4.341 -2.941 1.00 2.54 C ATOM 136 C SER A 520 -18.874 -4.307 -3.704 1.00 2.31 C ATOM 137 O SER A 520 -17.802 -4.388 -3.112 1.00 2.10 O ATOM 138 CB SER A 520 -20.768 -5.756 -2.949 1.00 2.83 C ATOM 139 OG SER A 520 -21.993 -5.803 -2.237 1.00 2.98 O ATOM 0 H SER A 520 -21.971 -3.832 -3.926 1.00 2.66 H new ATOM 0 HA SER A 520 -20.004 -4.047 -1.908 1.00 2.54 H new ATOM 0 HB2 SER A 520 -20.927 -6.083 -3.977 1.00 2.83 H new ATOM 0 HB3 SER A 520 -20.055 -6.448 -2.501 1.00 2.83 H new ATOM 0 HG SER A 520 -22.727 -5.543 -2.832 1.00 2.98 H new ATOM 145 N GLN A 521 -18.965 -4.160 -5.019 1.00 2.40 N ATOM 146 CA GLN A 521 -17.783 -4.044 -5.859 1.00 2.26 C ATOM 147 C GLN A 521 -16.994 -2.800 -5.469 1.00 1.95 C ATOM 148 O GLN A 521 -15.778 -2.857 -5.306 1.00 1.75 O ATOM 149 CB GLN A 521 -18.179 -3.981 -7.335 1.00 2.49 C ATOM 150 CG GLN A 521 -16.995 -3.974 -8.289 1.00 2.84 C ATOM 151 CD GLN A 521 -16.177 -5.250 -8.210 1.00 3.23 C ATOM 152 OE1 GLN A 521 -16.449 -6.218 -8.918 1.00 3.85 O ATOM 153 NE2 GLN A 521 -15.172 -5.265 -7.347 1.00 3.40 N ATOM 0 H GLN A 521 -19.848 -4.118 -5.527 1.00 2.40 H new ATOM 0 HA GLN A 521 -17.157 -4.924 -5.710 1.00 2.26 H new ATOM 0 HB2 GLN A 521 -18.816 -4.835 -7.567 1.00 2.49 H new ATOM 0 HB3 GLN A 521 -18.775 -3.084 -7.504 1.00 2.49 H new ATOM 0 HG2 GLN A 521 -17.355 -3.840 -9.309 1.00 2.84 H new ATOM 0 HG3 GLN A 521 -16.355 -3.121 -8.062 1.00 2.84 H new ATOM 0 HE21 GLN A 521 -14.977 -4.442 -6.777 1.00 3.40 H new ATOM 0 HE22 GLN A 521 -14.593 -6.099 -7.253 1.00 3.40 H new ATOM 162 N VAL A 522 -17.704 -1.686 -5.303 1.00 1.94 N ATOM 163 CA VAL A 522 -17.101 -0.441 -4.831 1.00 1.71 C ATOM 164 C VAL A 522 -16.454 -0.650 -3.463 1.00 1.52 C ATOM 165 O VAL A 522 -15.353 -0.163 -3.199 1.00 1.28 O ATOM 166 CB VAL A 522 -18.155 0.690 -4.730 1.00 1.86 C ATOM 167 CG1 VAL A 522 -17.559 1.952 -4.130 1.00 1.69 C ATOM 168 CG2 VAL A 522 -18.741 0.993 -6.099 1.00 2.07 C ATOM 0 H VAL A 522 -18.705 -1.620 -5.490 1.00 1.94 H new ATOM 0 HA VAL A 522 -16.341 -0.147 -5.555 1.00 1.71 H new ATOM 0 HB VAL A 522 -18.950 0.343 -4.069 1.00 1.86 H new ATOM 0 HG11 VAL A 522 -18.325 2.725 -4.074 1.00 1.69 H new ATOM 0 HG12 VAL A 522 -17.186 1.738 -3.129 1.00 1.69 H new ATOM 0 HG13 VAL A 522 -16.738 2.300 -4.757 1.00 1.69 H new ATOM 0 HG21 VAL A 522 -19.480 1.790 -6.010 1.00 2.07 H new ATOM 0 HG22 VAL A 522 -17.945 1.309 -6.773 1.00 2.07 H new ATOM 0 HG23 VAL A 522 -19.219 0.098 -6.496 1.00 2.07 H new ATOM 178 N VAL A 523 -17.142 -1.396 -2.611 1.00 1.66 N ATOM 179 CA VAL A 523 -16.648 -1.720 -1.288 1.00 1.58 C ATOM 180 C VAL A 523 -15.371 -2.562 -1.376 1.00 1.41 C ATOM 181 O VAL A 523 -14.428 -2.353 -0.616 1.00 1.24 O ATOM 182 CB VAL A 523 -17.746 -2.446 -0.474 1.00 1.85 C ATOM 183 CG1 VAL A 523 -17.151 -3.327 0.605 1.00 1.86 C ATOM 184 CG2 VAL A 523 -18.711 -1.435 0.130 1.00 1.98 C ATOM 0 H VAL A 523 -18.058 -1.792 -2.821 1.00 1.66 H new ATOM 0 HA VAL A 523 -16.395 -0.795 -0.770 1.00 1.58 H new ATOM 0 HB VAL A 523 -18.295 -3.093 -1.158 1.00 1.85 H new ATOM 0 HG11 VAL A 523 -17.952 -3.820 1.155 1.00 1.86 H new ATOM 0 HG12 VAL A 523 -16.509 -4.079 0.147 1.00 1.86 H new ATOM 0 HG13 VAL A 523 -16.563 -2.716 1.290 1.00 1.86 H new ATOM 0 HG21 VAL A 523 -19.478 -1.960 0.700 1.00 1.98 H new ATOM 0 HG22 VAL A 523 -18.166 -0.761 0.791 1.00 1.98 H new ATOM 0 HG23 VAL A 523 -19.181 -0.860 -0.667 1.00 1.98 H new ATOM 194 N LYS A 524 -15.335 -3.501 -2.315 1.00 1.52 N ATOM 195 CA LYS A 524 -14.131 -4.294 -2.546 1.00 1.44 C ATOM 196 C LYS A 524 -12.989 -3.416 -3.057 1.00 1.21 C ATOM 197 O LYS A 524 -11.837 -3.606 -2.674 1.00 1.07 O ATOM 198 CB LYS A 524 -14.403 -5.433 -3.534 1.00 1.69 C ATOM 199 CG LYS A 524 -14.726 -6.764 -2.873 1.00 1.91 C ATOM 200 CD LYS A 524 -16.092 -6.741 -2.216 1.00 2.09 C ATOM 201 CE LYS A 524 -16.366 -8.017 -1.435 1.00 2.33 C ATOM 202 NZ LYS A 524 -15.424 -8.196 -0.300 1.00 2.48 N ATOM 0 H LYS A 524 -16.119 -3.731 -2.925 1.00 1.52 H new ATOM 0 HA LYS A 524 -13.835 -4.729 -1.592 1.00 1.44 H new ATOM 0 HB2 LYS A 524 -15.234 -5.149 -4.180 1.00 1.69 H new ATOM 0 HB3 LYS A 524 -13.530 -5.560 -4.175 1.00 1.69 H new ATOM 0 HG2 LYS A 524 -14.693 -7.559 -3.618 1.00 1.91 H new ATOM 0 HG3 LYS A 524 -13.966 -6.995 -2.127 1.00 1.91 H new ATOM 0 HD2 LYS A 524 -16.158 -5.884 -1.546 1.00 2.09 H new ATOM 0 HD3 LYS A 524 -16.860 -6.610 -2.979 1.00 2.09 H new ATOM 0 HE2 LYS A 524 -17.388 -7.996 -1.056 1.00 2.33 H new ATOM 0 HE3 LYS A 524 -16.291 -8.874 -2.105 1.00 2.33 H new ATOM 0 HZ1 LYS A 524 -15.801 -8.910 0.355 1.00 2.48 H new ATOM 0 HZ2 LYS A 524 -14.501 -8.511 -0.661 1.00 2.48 H new ATOM 0 HZ3 LYS A 524 -15.310 -7.292 0.202 1.00 2.48 H new ATOM 216 N LEU A 525 -13.314 -2.451 -3.915 1.00 1.21 N ATOM 217 CA LEU A 525 -12.310 -1.524 -4.432 1.00 1.06 C ATOM 218 C LEU A 525 -11.717 -0.690 -3.308 1.00 0.82 C ATOM 219 O LEU A 525 -10.499 -0.595 -3.173 1.00 0.67 O ATOM 220 CB LEU A 525 -12.903 -0.586 -5.492 1.00 1.19 C ATOM 221 CG LEU A 525 -12.739 -1.037 -6.946 1.00 1.42 C ATOM 222 CD1 LEU A 525 -13.503 -2.319 -7.202 1.00 1.62 C ATOM 223 CD2 LEU A 525 -13.202 0.058 -7.894 1.00 1.56 C ATOM 0 H LEU A 525 -14.259 -2.291 -4.265 1.00 1.21 H new ATOM 0 HA LEU A 525 -11.527 -2.126 -4.893 1.00 1.06 H new ATOM 0 HB2 LEU A 525 -13.966 -0.463 -5.287 1.00 1.19 H new ATOM 0 HB3 LEU A 525 -12.441 0.395 -5.381 1.00 1.19 H new ATOM 0 HG LEU A 525 -11.682 -1.231 -7.127 1.00 1.42 H new ATOM 0 HD11 LEU A 525 -13.371 -2.620 -8.241 1.00 1.62 H new ATOM 0 HD12 LEU A 525 -13.126 -3.104 -6.547 1.00 1.62 H new ATOM 0 HD13 LEU A 525 -14.562 -2.157 -7.002 1.00 1.62 H new ATOM 0 HD21 LEU A 525 -13.080 -0.277 -8.924 1.00 1.56 H new ATOM 0 HD22 LEU A 525 -14.253 0.281 -7.707 1.00 1.56 H new ATOM 0 HD23 LEU A 525 -12.606 0.956 -7.731 1.00 1.56 H new ATOM 235 N THR A 526 -12.584 -0.110 -2.487 1.00 0.84 N ATOM 236 CA THR A 526 -12.138 0.755 -1.405 1.00 0.73 C ATOM 237 C THR A 526 -11.371 -0.053 -0.354 1.00 0.62 C ATOM 238 O THR A 526 -10.402 0.433 0.233 1.00 0.52 O ATOM 239 CB THR A 526 -13.320 1.528 -0.759 1.00 0.91 C ATOM 240 OG1 THR A 526 -12.823 2.598 0.051 1.00 1.14 O ATOM 241 CG2 THR A 526 -14.197 0.621 0.093 1.00 1.40 C ATOM 0 H THR A 526 -13.596 -0.223 -2.550 1.00 0.84 H new ATOM 0 HA THR A 526 -11.464 1.498 -1.832 1.00 0.73 H new ATOM 0 HB THR A 526 -13.929 1.924 -1.571 1.00 0.91 H new ATOM 0 HG1 THR A 526 -13.575 3.081 0.453 1.00 1.14 H new ATOM 0 HG21 THR A 526 -15.011 1.203 0.525 1.00 1.40 H new ATOM 0 HG22 THR A 526 -14.610 -0.174 -0.528 1.00 1.40 H new ATOM 0 HG23 THR A 526 -13.599 0.184 0.893 1.00 1.40 H new ATOM 249 N LYS A 527 -11.788 -1.298 -0.147 1.00 0.72 N ATOM 250 CA LYS A 527 -11.097 -2.195 0.764 1.00 0.71 C ATOM 251 C LYS A 527 -9.693 -2.480 0.253 1.00 0.55 C ATOM 252 O LYS A 527 -8.710 -2.363 0.992 1.00 0.47 O ATOM 253 CB LYS A 527 -11.881 -3.502 0.913 1.00 0.91 C ATOM 254 CG LYS A 527 -11.175 -4.554 1.750 1.00 1.04 C ATOM 255 CD LYS A 527 -10.961 -4.082 3.178 1.00 1.12 C ATOM 256 CE LYS A 527 -12.278 -3.824 3.889 1.00 1.24 C ATOM 257 NZ LYS A 527 -12.069 -3.453 5.312 1.00 1.60 N ATOM 0 H LYS A 527 -12.605 -1.707 -0.601 1.00 0.72 H new ATOM 0 HA LYS A 527 -11.024 -1.717 1.741 1.00 0.71 H new ATOM 0 HB2 LYS A 527 -12.849 -3.284 1.364 1.00 0.91 H new ATOM 0 HB3 LYS A 527 -12.076 -3.912 -0.078 1.00 0.91 H new ATOM 0 HG2 LYS A 527 -11.763 -5.472 1.754 1.00 1.04 H new ATOM 0 HG3 LYS A 527 -10.213 -4.794 1.298 1.00 1.04 H new ATOM 0 HD2 LYS A 527 -10.392 -4.832 3.727 1.00 1.12 H new ATOM 0 HD3 LYS A 527 -10.365 -3.169 3.174 1.00 1.12 H new ATOM 0 HE2 LYS A 527 -12.816 -3.025 3.380 1.00 1.24 H new ATOM 0 HE3 LYS A 527 -12.903 -4.715 3.833 1.00 1.24 H new ATOM 0 HZ1 LYS A 527 -12.990 -3.284 5.766 1.00 1.60 H new ATOM 0 HZ2 LYS A 527 -11.577 -4.226 5.804 1.00 1.60 H new ATOM 0 HZ3 LYS A 527 -11.494 -2.588 5.364 1.00 1.60 H new ATOM 271 N GLN A 528 -9.606 -2.820 -1.027 1.00 0.59 N ATOM 272 CA GLN A 528 -8.331 -3.126 -1.652 1.00 0.55 C ATOM 273 C GLN A 528 -7.416 -1.908 -1.648 1.00 0.40 C ATOM 274 O GLN A 528 -6.216 -2.042 -1.453 1.00 0.37 O ATOM 275 CB GLN A 528 -8.542 -3.631 -3.083 1.00 0.75 C ATOM 276 CG GLN A 528 -7.245 -3.943 -3.822 1.00 1.38 C ATOM 277 CD GLN A 528 -6.390 -4.985 -3.118 1.00 1.87 C ATOM 278 OE1 GLN A 528 -7.028 -5.931 -2.448 1.00 2.56 O flip ATOM 279 NE2 GLN A 528 -5.162 -4.946 -3.191 1.00 2.33 N flip ATOM 0 H GLN A 528 -10.409 -2.890 -1.653 1.00 0.59 H new ATOM 0 HA GLN A 528 -7.851 -3.914 -1.072 1.00 0.55 H new ATOM 0 HB2 GLN A 528 -9.158 -4.530 -3.054 1.00 0.75 H new ATOM 0 HB3 GLN A 528 -9.098 -2.881 -3.645 1.00 0.75 H new ATOM 0 HG2 GLN A 528 -7.482 -4.295 -4.826 1.00 1.38 H new ATOM 0 HG3 GLN A 528 -6.668 -3.025 -3.934 1.00 1.38 H new ATOM 0 HE21 GLN A 528 -4.706 -4.201 -3.717 1.00 2.33 H new ATOM 0 HE22 GLN A 528 -4.601 -5.659 -2.725 1.00 2.33 H new ATOM 288 N LEU A 529 -7.982 -0.722 -1.853 1.00 0.37 N ATOM 289 CA LEU A 529 -7.188 0.504 -1.877 1.00 0.33 C ATOM 290 C LEU A 529 -6.486 0.727 -0.542 1.00 0.22 C ATOM 291 O LEU A 529 -5.285 0.996 -0.504 1.00 0.26 O ATOM 292 CB LEU A 529 -8.078 1.707 -2.184 1.00 0.43 C ATOM 293 CG LEU A 529 -8.688 1.742 -3.581 1.00 0.58 C ATOM 294 CD1 LEU A 529 -9.704 2.861 -3.659 1.00 0.67 C ATOM 295 CD2 LEU A 529 -7.605 1.925 -4.634 1.00 0.69 C ATOM 0 H LEU A 529 -8.981 -0.583 -2.004 1.00 0.37 H new ATOM 0 HA LEU A 529 -6.435 0.397 -2.658 1.00 0.33 H new ATOM 0 HB2 LEU A 529 -8.887 1.732 -1.454 1.00 0.43 H new ATOM 0 HB3 LEU A 529 -7.492 2.615 -2.041 1.00 0.43 H new ATOM 0 HG LEU A 529 -9.188 0.793 -3.777 1.00 0.58 H new ATOM 0 HD11 LEU A 529 -10.141 2.887 -4.657 1.00 0.67 H new ATOM 0 HD12 LEU A 529 -10.490 2.691 -2.923 1.00 0.67 H new ATOM 0 HD13 LEU A 529 -9.214 3.812 -3.453 1.00 0.67 H new ATOM 0 HD21 LEU A 529 -8.060 1.947 -5.624 1.00 0.69 H new ATOM 0 HD22 LEU A 529 -7.079 2.863 -4.455 1.00 0.69 H new ATOM 0 HD23 LEU A 529 -6.899 1.096 -4.578 1.00 0.69 H new ATOM 307 N LYS A 530 -7.231 0.580 0.549 1.00 0.23 N ATOM 308 CA LYS A 530 -6.669 0.755 1.888 1.00 0.30 C ATOM 309 C LYS A 530 -5.564 -0.260 2.162 1.00 0.24 C ATOM 310 O LYS A 530 -4.470 0.101 2.604 1.00 0.29 O ATOM 311 CB LYS A 530 -7.756 0.634 2.962 1.00 0.47 C ATOM 312 CG LYS A 530 -8.420 1.956 3.329 1.00 1.14 C ATOM 313 CD LYS A 530 -9.216 2.543 2.178 1.00 1.72 C ATOM 314 CE LYS A 530 -9.925 3.825 2.586 1.00 2.36 C ATOM 315 NZ LYS A 530 -10.822 3.612 3.753 1.00 2.78 N ATOM 0 H LYS A 530 -8.222 0.341 0.535 1.00 0.23 H new ATOM 0 HA LYS A 530 -6.241 1.757 1.929 1.00 0.30 H new ATOM 0 HB2 LYS A 530 -8.521 -0.059 2.613 1.00 0.47 H new ATOM 0 HB3 LYS A 530 -7.317 0.199 3.860 1.00 0.47 H new ATOM 0 HG2 LYS A 530 -9.080 1.803 4.183 1.00 1.14 H new ATOM 0 HG3 LYS A 530 -7.656 2.669 3.640 1.00 1.14 H new ATOM 0 HD2 LYS A 530 -8.550 2.746 1.340 1.00 1.72 H new ATOM 0 HD3 LYS A 530 -9.950 1.814 1.833 1.00 1.72 H new ATOM 0 HE2 LYS A 530 -9.185 4.588 2.830 1.00 2.36 H new ATOM 0 HE3 LYS A 530 -10.506 4.203 1.745 1.00 2.36 H new ATOM 0 HZ1 LYS A 530 -11.492 4.404 3.825 1.00 2.78 H new ATOM 0 HZ2 LYS A 530 -11.348 2.723 3.629 1.00 2.78 H new ATOM 0 HZ3 LYS A 530 -10.254 3.559 4.623 1.00 2.78 H new ATOM 329 N GLU A 531 -5.844 -1.525 1.879 1.00 0.21 N ATOM 330 CA GLU A 531 -4.884 -2.591 2.126 1.00 0.26 C ATOM 331 C GLU A 531 -3.686 -2.470 1.189 1.00 0.23 C ATOM 332 O GLU A 531 -2.551 -2.758 1.574 1.00 0.26 O ATOM 333 CB GLU A 531 -5.552 -3.959 1.991 1.00 0.37 C ATOM 334 CG GLU A 531 -6.695 -4.164 2.973 1.00 0.50 C ATOM 335 CD GLU A 531 -7.185 -5.595 3.019 1.00 0.68 C ATOM 336 OE1 GLU A 531 -6.548 -6.433 3.689 1.00 1.00 O ATOM 337 OE2 GLU A 531 -8.212 -5.892 2.378 1.00 0.98 O ATOM 0 H GLU A 531 -6.728 -1.838 1.478 1.00 0.21 H new ATOM 0 HA GLU A 531 -4.519 -2.493 3.148 1.00 0.26 H new ATOM 0 HB2 GLU A 531 -5.929 -4.074 0.975 1.00 0.37 H new ATOM 0 HB3 GLU A 531 -4.805 -4.738 2.144 1.00 0.37 H new ATOM 0 HG2 GLU A 531 -6.369 -3.865 3.969 1.00 0.50 H new ATOM 0 HG3 GLU A 531 -7.523 -3.511 2.699 1.00 0.50 H new ATOM 344 N GLN A 532 -3.938 -2.039 -0.039 1.00 0.23 N ATOM 345 CA GLN A 532 -2.868 -1.804 -1.000 1.00 0.32 C ATOM 346 C GLN A 532 -1.953 -0.685 -0.521 1.00 0.33 C ATOM 347 O GLN A 532 -0.739 -0.767 -0.667 1.00 0.41 O ATOM 348 CB GLN A 532 -3.440 -1.445 -2.371 1.00 0.40 C ATOM 349 CG GLN A 532 -2.380 -1.217 -3.434 1.00 0.97 C ATOM 350 CD GLN A 532 -2.965 -0.701 -4.733 1.00 1.51 C ATOM 351 OE1 GLN A 532 -3.077 0.507 -4.938 1.00 2.20 O ATOM 352 NE2 GLN A 532 -3.349 -1.612 -5.611 1.00 2.06 N ATOM 0 H GLN A 532 -4.874 -1.845 -0.394 1.00 0.23 H new ATOM 0 HA GLN A 532 -2.290 -2.724 -1.088 1.00 0.32 H new ATOM 0 HB2 GLN A 532 -4.104 -2.245 -2.698 1.00 0.40 H new ATOM 0 HB3 GLN A 532 -4.047 -0.545 -2.277 1.00 0.40 H new ATOM 0 HG2 GLN A 532 -1.644 -0.504 -3.062 1.00 0.97 H new ATOM 0 HG3 GLN A 532 -1.852 -2.152 -3.623 1.00 0.97 H new ATOM 0 HE21 GLN A 532 -3.237 -2.603 -5.399 1.00 2.06 H new ATOM 0 HE22 GLN A 532 -3.757 -1.323 -6.500 1.00 2.06 H new ATOM 361 N THR A 533 -2.541 0.352 0.060 1.00 0.29 N ATOM 362 CA THR A 533 -1.772 1.499 0.522 1.00 0.36 C ATOM 363 C THR A 533 -0.823 1.105 1.655 1.00 0.35 C ATOM 364 O THR A 533 0.358 1.454 1.630 1.00 0.41 O ATOM 365 CB THR A 533 -2.688 2.644 0.997 1.00 0.41 C ATOM 366 OG1 THR A 533 -3.638 2.970 -0.027 1.00 0.45 O ATOM 367 CG2 THR A 533 -1.871 3.882 1.331 1.00 0.53 C ATOM 0 H THR A 533 -3.546 0.422 0.222 1.00 0.29 H new ATOM 0 HA THR A 533 -1.188 1.851 -0.329 1.00 0.36 H new ATOM 0 HB THR A 533 -3.212 2.311 1.893 1.00 0.41 H new ATOM 0 HG1 THR A 533 -4.436 2.411 0.077 1.00 0.45 H new ATOM 0 HG21 THR A 533 -2.537 4.678 1.664 1.00 0.53 H new ATOM 0 HG22 THR A 533 -1.161 3.647 2.124 1.00 0.53 H new ATOM 0 HG23 THR A 533 -1.328 4.210 0.444 1.00 0.53 H new ATOM 375 N VAL A 534 -1.330 0.355 2.633 1.00 0.29 N ATOM 376 CA VAL A 534 -0.521 -0.025 3.786 1.00 0.32 C ATOM 377 C VAL A 534 0.637 -0.939 3.376 1.00 0.32 C ATOM 378 O VAL A 534 1.754 -0.800 3.882 1.00 0.35 O ATOM 379 CB VAL A 534 -1.357 -0.680 4.913 1.00 0.32 C ATOM 380 CG1 VAL A 534 -2.391 0.302 5.443 1.00 0.36 C ATOM 381 CG2 VAL A 534 -2.034 -1.956 4.442 1.00 0.28 C ATOM 0 H VAL A 534 -2.287 0.003 2.649 1.00 0.29 H new ATOM 0 HA VAL A 534 -0.109 0.900 4.189 1.00 0.32 H new ATOM 0 HB VAL A 534 -0.673 -0.947 5.719 1.00 0.32 H new ATOM 0 HG11 VAL A 534 -2.971 -0.172 6.235 1.00 0.36 H new ATOM 0 HG12 VAL A 534 -1.886 1.182 5.841 1.00 0.36 H new ATOM 0 HG13 VAL A 534 -3.058 0.601 4.634 1.00 0.36 H new ATOM 0 HG21 VAL A 534 -2.611 -2.386 5.261 1.00 0.28 H new ATOM 0 HG22 VAL A 534 -2.700 -1.729 3.609 1.00 0.28 H new ATOM 0 HG23 VAL A 534 -1.278 -2.671 4.117 1.00 0.28 H new ATOM 391 N GLU A 535 0.386 -1.864 2.451 1.00 0.29 N ATOM 392 CA GLU A 535 1.449 -2.721 1.954 1.00 0.32 C ATOM 393 C GLU A 535 2.386 -1.931 1.048 1.00 0.36 C ATOM 394 O GLU A 535 3.579 -2.192 1.011 1.00 0.39 O ATOM 395 CB GLU A 535 0.886 -3.939 1.212 1.00 0.34 C ATOM 396 CG GLU A 535 0.106 -3.597 -0.045 1.00 0.36 C ATOM 397 CD GLU A 535 -0.193 -4.811 -0.899 1.00 0.54 C ATOM 398 OE1 GLU A 535 0.709 -5.275 -1.627 1.00 0.69 O ATOM 399 OE2 GLU A 535 -1.334 -5.316 -0.840 1.00 0.81 O ATOM 0 H GLU A 535 -0.531 -2.034 2.039 1.00 0.29 H new ATOM 0 HA GLU A 535 2.013 -3.087 2.812 1.00 0.32 H new ATOM 0 HB2 GLU A 535 1.710 -4.601 0.946 1.00 0.34 H new ATOM 0 HB3 GLU A 535 0.237 -4.495 1.889 1.00 0.34 H new ATOM 0 HG2 GLU A 535 -0.831 -3.115 0.234 1.00 0.36 H new ATOM 0 HG3 GLU A 535 0.672 -2.875 -0.633 1.00 0.36 H new ATOM 406 N ARG A 536 1.839 -0.955 0.332 1.00 0.38 N ATOM 407 CA ARG A 536 2.626 -0.126 -0.572 1.00 0.44 C ATOM 408 C ARG A 536 3.614 0.751 0.196 1.00 0.46 C ATOM 409 O ARG A 536 4.787 0.812 -0.155 1.00 0.49 O ATOM 410 CB ARG A 536 1.698 0.719 -1.456 1.00 0.49 C ATOM 411 CG ARG A 536 2.421 1.699 -2.366 1.00 0.59 C ATOM 412 CD ARG A 536 2.364 3.113 -1.818 1.00 0.65 C ATOM 413 NE ARG A 536 1.032 3.709 -1.952 1.00 0.70 N ATOM 414 CZ ARG A 536 0.782 5.014 -1.823 1.00 0.93 C ATOM 415 NH1 ARG A 536 1.781 5.871 -1.642 1.00 1.38 N ATOM 416 NH2 ARG A 536 -0.461 5.471 -1.924 1.00 0.94 N ATOM 0 H ARG A 536 0.847 -0.718 0.361 1.00 0.38 H new ATOM 0 HA ARG A 536 3.213 -0.781 -1.217 1.00 0.44 H new ATOM 0 HB2 ARG A 536 1.092 0.051 -2.069 1.00 0.49 H new ATOM 0 HB3 ARG A 536 1.012 1.274 -0.816 1.00 0.49 H new ATOM 0 HG2 ARG A 536 3.461 1.393 -2.479 1.00 0.59 H new ATOM 0 HG3 ARG A 536 1.972 1.674 -3.359 1.00 0.59 H new ATOM 0 HD2 ARG A 536 2.652 3.104 -0.767 1.00 0.65 H new ATOM 0 HD3 ARG A 536 3.091 3.733 -2.342 1.00 0.65 H new ATOM 0 HE ARG A 536 0.248 3.089 -2.156 1.00 0.70 H new ATOM 0 HH11 ARG A 536 2.742 5.532 -1.601 1.00 1.38 H new ATOM 0 HH12 ARG A 536 1.587 6.867 -1.544 1.00 1.38 H new ATOM 0 HH21 ARG A 536 -1.229 4.824 -2.101 1.00 0.94 H new ATOM 0 HH22 ARG A 536 -0.647 6.469 -1.825 1.00 0.94 H new ATOM 430 N VAL A 537 3.149 1.412 1.252 1.00 0.45 N ATOM 431 CA VAL A 537 4.031 2.251 2.064 1.00 0.49 C ATOM 432 C VAL A 537 5.084 1.394 2.755 1.00 0.45 C ATOM 433 O VAL A 537 6.253 1.774 2.851 1.00 0.48 O ATOM 434 CB VAL A 537 3.256 3.087 3.115 1.00 0.51 C ATOM 435 CG1 VAL A 537 2.244 3.984 2.428 1.00 0.55 C ATOM 436 CG2 VAL A 537 2.564 2.201 4.143 1.00 0.47 C ATOM 0 H VAL A 537 2.178 1.386 1.565 1.00 0.45 H new ATOM 0 HA VAL A 537 4.515 2.953 1.385 1.00 0.49 H new ATOM 0 HB VAL A 537 3.981 3.704 3.646 1.00 0.51 H new ATOM 0 HG11 VAL A 537 1.706 4.566 3.177 1.00 0.55 H new ATOM 0 HG12 VAL A 537 2.760 4.659 1.746 1.00 0.55 H new ATOM 0 HG13 VAL A 537 1.537 3.372 1.867 1.00 0.55 H new ATOM 0 HG21 VAL A 537 2.032 2.825 4.862 1.00 0.47 H new ATOM 0 HG22 VAL A 537 1.856 1.544 3.639 1.00 0.47 H new ATOM 0 HG23 VAL A 537 3.308 1.600 4.665 1.00 0.47 H new ATOM 446 N THR A 538 4.660 0.229 3.219 1.00 0.40 N ATOM 447 CA THR A 538 5.561 -0.730 3.830 1.00 0.38 C ATOM 448 C THR A 538 6.559 -1.263 2.796 1.00 0.36 C ATOM 449 O THR A 538 7.741 -1.451 3.092 1.00 0.34 O ATOM 450 CB THR A 538 4.763 -1.888 4.454 1.00 0.35 C ATOM 451 OG1 THR A 538 3.904 -1.386 5.489 1.00 0.36 O ATOM 452 CG2 THR A 538 5.685 -2.950 5.022 1.00 0.36 C ATOM 0 H THR A 538 3.687 -0.075 3.182 1.00 0.40 H new ATOM 0 HA THR A 538 6.120 -0.227 4.619 1.00 0.38 H new ATOM 0 HB THR A 538 4.162 -2.346 3.669 1.00 0.35 H new ATOM 0 HG1 THR A 538 3.048 -1.111 5.099 1.00 0.36 H new ATOM 0 HG21 THR A 538 5.090 -3.754 5.455 1.00 0.36 H new ATOM 0 HG22 THR A 538 6.312 -3.351 4.226 1.00 0.36 H new ATOM 0 HG23 THR A 538 6.316 -2.509 5.794 1.00 0.36 H new ATOM 460 N LEU A 539 6.078 -1.474 1.574 1.00 0.37 N ATOM 461 CA LEU A 539 6.911 -1.915 0.473 1.00 0.37 C ATOM 462 C LEU A 539 7.950 -0.846 0.153 1.00 0.38 C ATOM 463 O LEU A 539 9.112 -1.157 -0.062 1.00 0.35 O ATOM 464 CB LEU A 539 6.009 -2.233 -0.734 1.00 0.42 C ATOM 465 CG LEU A 539 6.688 -2.566 -2.066 1.00 0.47 C ATOM 466 CD1 LEU A 539 7.104 -1.293 -2.775 1.00 0.52 C ATOM 467 CD2 LEU A 539 7.883 -3.486 -1.857 1.00 0.44 C ATOM 0 H LEU A 539 5.098 -1.342 1.325 1.00 0.37 H new ATOM 0 HA LEU A 539 7.455 -2.822 0.739 1.00 0.37 H new ATOM 0 HB2 LEU A 539 5.372 -3.075 -0.463 1.00 0.42 H new ATOM 0 HB3 LEU A 539 5.354 -1.377 -0.897 1.00 0.42 H new ATOM 0 HG LEU A 539 5.970 -3.094 -2.694 1.00 0.47 H new ATOM 0 HD11 LEU A 539 7.585 -1.544 -3.720 1.00 0.52 H new ATOM 0 HD12 LEU A 539 6.224 -0.679 -2.967 1.00 0.52 H new ATOM 0 HD13 LEU A 539 7.802 -0.739 -2.148 1.00 0.52 H new ATOM 0 HD21 LEU A 539 8.346 -3.706 -2.819 1.00 0.44 H new ATOM 0 HD22 LEU A 539 8.610 -2.997 -1.208 1.00 0.44 H new ATOM 0 HD23 LEU A 539 7.550 -4.415 -1.394 1.00 0.44 H new ATOM 479 N GLN A 540 7.523 0.411 0.136 1.00 0.43 N ATOM 480 CA GLN A 540 8.435 1.529 -0.086 1.00 0.45 C ATOM 481 C GLN A 540 9.536 1.551 0.967 1.00 0.35 C ATOM 482 O GLN A 540 10.680 1.878 0.669 1.00 0.30 O ATOM 483 CB GLN A 540 7.676 2.854 -0.072 1.00 0.58 C ATOM 484 CG GLN A 540 6.698 2.999 -1.220 1.00 0.69 C ATOM 485 CD GLN A 540 7.385 3.093 -2.572 1.00 0.73 C ATOM 486 OE1 GLN A 540 8.573 3.678 -2.599 1.00 1.05 O flip ATOM 487 NE2 GLN A 540 6.846 2.653 -3.587 1.00 1.55 N flip ATOM 0 H GLN A 540 6.550 0.683 0.273 1.00 0.43 H new ATOM 0 HA GLN A 540 8.894 1.395 -1.066 1.00 0.45 H new ATOM 0 HB2 GLN A 540 7.135 2.945 0.870 1.00 0.58 H new ATOM 0 HB3 GLN A 540 8.392 3.675 -0.109 1.00 0.58 H new ATOM 0 HG2 GLN A 540 6.018 2.147 -1.222 1.00 0.69 H new ATOM 0 HG3 GLN A 540 6.091 3.891 -1.063 1.00 0.69 H new ATOM 0 HE21 GLN A 540 5.930 2.209 -3.526 1.00 1.55 H new ATOM 0 HE22 GLN A 540 7.315 2.733 -4.489 1.00 1.55 H new ATOM 496 N ASN A 541 9.180 1.196 2.191 1.00 0.37 N ATOM 497 CA ASN A 541 10.153 1.084 3.281 1.00 0.34 C ATOM 498 C ASN A 541 11.161 -0.018 2.971 1.00 0.25 C ATOM 499 O ASN A 541 12.374 0.163 3.108 1.00 0.25 O ATOM 500 CB ASN A 541 9.429 0.782 4.599 1.00 0.42 C ATOM 501 CG ASN A 541 10.367 0.687 5.789 1.00 0.49 C ATOM 502 OD1 ASN A 541 11.425 1.313 5.817 1.00 1.08 O ATOM 503 ND2 ASN A 541 9.974 -0.089 6.788 1.00 1.21 N ATOM 0 H ASN A 541 8.221 0.978 2.462 1.00 0.37 H new ATOM 0 HA ASN A 541 10.686 2.030 3.379 1.00 0.34 H new ATOM 0 HB2 ASN A 541 8.691 1.562 4.788 1.00 0.42 H new ATOM 0 HB3 ASN A 541 8.883 -0.156 4.499 1.00 0.42 H new ATOM 0 HD21 ASN A 541 10.557 -0.184 7.620 1.00 1.21 H new ATOM 0 HD22 ASN A 541 9.089 -0.592 6.725 1.00 1.21 H new ATOM 510 N GLN A 542 10.649 -1.158 2.528 1.00 0.22 N ATOM 511 CA GLN A 542 11.496 -2.272 2.124 1.00 0.21 C ATOM 512 C GLN A 542 12.331 -1.883 0.908 1.00 0.18 C ATOM 513 O GLN A 542 13.510 -2.196 0.831 1.00 0.24 O ATOM 514 CB GLN A 542 10.644 -3.496 1.792 1.00 0.27 C ATOM 515 CG GLN A 542 9.752 -3.952 2.933 1.00 0.33 C ATOM 516 CD GLN A 542 8.882 -5.137 2.558 1.00 1.18 C ATOM 517 OE1 GLN A 542 8.531 -5.237 1.284 1.00 1.94 O flip ATOM 518 NE2 GLN A 542 8.532 -5.960 3.405 1.00 1.98 N flip ATOM 0 H GLN A 542 9.649 -1.336 2.439 1.00 0.22 H new ATOM 0 HA GLN A 542 12.161 -2.518 2.952 1.00 0.21 H new ATOM 0 HB2 GLN A 542 10.022 -3.270 0.926 1.00 0.27 H new ATOM 0 HB3 GLN A 542 11.301 -4.318 1.507 1.00 0.27 H new ATOM 0 HG2 GLN A 542 10.372 -4.218 3.789 1.00 0.33 H new ATOM 0 HG3 GLN A 542 9.116 -3.124 3.245 1.00 0.33 H new ATOM 0 HE21 GLN A 542 8.823 -5.848 4.376 1.00 1.98 H new ATOM 0 HE22 GLN A 542 7.951 -6.754 3.135 1.00 1.98 H new ATOM 527 N LEU A 543 11.701 -1.181 -0.030 1.00 0.19 N ATOM 528 CA LEU A 543 12.355 -0.749 -1.258 1.00 0.23 C ATOM 529 C LEU A 543 13.432 0.286 -0.957 1.00 0.16 C ATOM 530 O LEU A 543 14.449 0.350 -1.640 1.00 0.24 O ATOM 531 CB LEU A 543 11.314 -0.188 -2.237 1.00 0.34 C ATOM 532 CG LEU A 543 11.792 -0.002 -3.681 1.00 0.46 C ATOM 533 CD1 LEU A 543 10.617 -0.113 -4.636 1.00 0.61 C ATOM 534 CD2 LEU A 543 12.467 1.346 -3.864 1.00 0.43 C ATOM 0 H LEU A 543 10.724 -0.897 0.041 1.00 0.19 H new ATOM 0 HA LEU A 543 12.838 -1.609 -1.721 1.00 0.23 H new ATOM 0 HB2 LEU A 543 10.451 -0.854 -2.242 1.00 0.34 H new ATOM 0 HB3 LEU A 543 10.970 0.775 -1.861 1.00 0.34 H new ATOM 0 HG LEU A 543 12.517 -0.786 -3.899 1.00 0.46 H new ATOM 0 HD11 LEU A 543 10.966 0.021 -5.660 1.00 0.61 H new ATOM 0 HD12 LEU A 543 10.157 -1.096 -4.535 1.00 0.61 H new ATOM 0 HD13 LEU A 543 9.882 0.657 -4.400 1.00 0.61 H new ATOM 0 HD21 LEU A 543 12.796 1.451 -4.898 1.00 0.43 H new ATOM 0 HD22 LEU A 543 11.761 2.142 -3.625 1.00 0.43 H new ATOM 0 HD23 LEU A 543 13.329 1.414 -3.200 1.00 0.43 H new ATOM 546 N GLN A 544 13.199 1.093 0.067 1.00 0.11 N ATOM 547 CA GLN A 544 14.190 2.047 0.532 1.00 0.20 C ATOM 548 C GLN A 544 15.454 1.303 0.956 1.00 0.29 C ATOM 549 O GLN A 544 16.569 1.676 0.587 1.00 0.37 O ATOM 550 CB GLN A 544 13.613 2.855 1.694 1.00 0.32 C ATOM 551 CG GLN A 544 14.637 3.685 2.431 1.00 0.49 C ATOM 552 CD GLN A 544 14.027 4.506 3.546 1.00 0.78 C ATOM 553 OE1 GLN A 544 13.031 4.110 4.150 1.00 1.34 O ATOM 554 NE2 GLN A 544 14.616 5.655 3.829 1.00 1.64 N ATOM 0 H GLN A 544 12.326 1.104 0.594 1.00 0.11 H new ATOM 0 HA GLN A 544 14.450 2.736 -0.271 1.00 0.20 H new ATOM 0 HB2 GLN A 544 12.832 3.513 1.313 1.00 0.32 H new ATOM 0 HB3 GLN A 544 13.139 2.172 2.398 1.00 0.32 H new ATOM 0 HG2 GLN A 544 15.402 3.028 2.845 1.00 0.49 H new ATOM 0 HG3 GLN A 544 15.136 4.350 1.726 1.00 0.49 H new ATOM 0 HE21 GLN A 544 15.440 5.948 3.305 1.00 1.64 H new ATOM 0 HE22 GLN A 544 14.246 6.248 4.572 1.00 1.64 H new ATOM 563 N GLN A 545 15.262 0.229 1.707 1.00 0.33 N ATOM 564 CA GLN A 545 16.363 -0.643 2.100 1.00 0.47 C ATOM 565 C GLN A 545 16.910 -1.388 0.882 1.00 0.50 C ATOM 566 O GLN A 545 18.113 -1.611 0.761 1.00 0.63 O ATOM 567 CB GLN A 545 15.885 -1.636 3.158 1.00 0.53 C ATOM 568 CG GLN A 545 15.392 -0.971 4.431 1.00 1.16 C ATOM 569 CD GLN A 545 14.608 -1.917 5.315 1.00 1.53 C ATOM 570 OE1 GLN A 545 15.168 -2.600 6.172 1.00 1.91 O ATOM 571 NE2 GLN A 545 13.300 -1.953 5.119 1.00 2.20 N ATOM 0 H GLN A 545 14.350 -0.062 2.059 1.00 0.33 H new ATOM 0 HA GLN A 545 17.164 -0.035 2.521 1.00 0.47 H new ATOM 0 HB2 GLN A 545 15.082 -2.243 2.740 1.00 0.53 H new ATOM 0 HB3 GLN A 545 16.702 -2.314 3.404 1.00 0.53 H new ATOM 0 HG2 GLN A 545 16.245 -0.582 4.987 1.00 1.16 H new ATOM 0 HG3 GLN A 545 14.765 -0.118 4.172 1.00 1.16 H new ATOM 0 HE21 GLN A 545 12.876 -1.370 4.397 1.00 2.20 H new ATOM 0 HE22 GLN A 545 12.715 -2.564 5.690 1.00 2.20 H new ATOM 580 N PHE A 546 16.008 -1.748 -0.024 1.00 0.42 N ATOM 581 CA PHE A 546 16.352 -2.466 -1.245 1.00 0.53 C ATOM 582 C PHE A 546 17.282 -1.639 -2.135 1.00 0.61 C ATOM 583 O PHE A 546 18.313 -2.133 -2.589 1.00 0.77 O ATOM 584 CB PHE A 546 15.052 -2.845 -1.978 1.00 0.54 C ATOM 585 CG PHE A 546 15.157 -2.947 -3.476 1.00 0.68 C ATOM 586 CD1 PHE A 546 15.639 -4.107 -4.062 1.00 0.93 C ATOM 587 CD2 PHE A 546 14.790 -1.892 -4.292 1.00 1.26 C ATOM 588 CE1 PHE A 546 15.751 -4.214 -5.432 1.00 1.03 C ATOM 589 CE2 PHE A 546 14.901 -1.991 -5.668 1.00 1.38 C ATOM 590 CZ PHE A 546 15.317 -3.114 -6.246 1.00 0.99 C ATOM 0 H PHE A 546 15.012 -1.549 0.069 1.00 0.42 H new ATOM 0 HA PHE A 546 16.898 -3.375 -0.991 1.00 0.53 H new ATOM 0 HB2 PHE A 546 14.703 -3.802 -1.590 1.00 0.54 H new ATOM 0 HB3 PHE A 546 14.290 -2.105 -1.735 1.00 0.54 H new ATOM 0 HD1 PHE A 546 15.931 -4.938 -3.437 1.00 0.93 H new ATOM 0 HD2 PHE A 546 14.413 -0.981 -3.851 1.00 1.26 H new ATOM 0 HE1 PHE A 546 16.157 -5.107 -5.884 1.00 1.03 H new ATOM 0 HE2 PHE A 546 14.645 -1.141 -6.283 1.00 1.38 H new ATOM 0 HZ PHE A 546 15.328 -3.198 -7.323 1.00 0.99 H new ATOM 600 N LEU A 547 16.920 -0.385 -2.379 1.00 0.53 N ATOM 601 CA LEU A 547 17.731 0.490 -3.214 1.00 0.64 C ATOM 602 C LEU A 547 19.084 0.753 -2.560 1.00 0.74 C ATOM 603 O LEU A 547 20.113 0.788 -3.233 1.00 0.89 O ATOM 604 CB LEU A 547 16.981 1.797 -3.523 1.00 0.59 C ATOM 605 CG LEU A 547 16.779 2.774 -2.359 1.00 0.50 C ATOM 606 CD1 LEU A 547 17.934 3.759 -2.265 1.00 0.66 C ATOM 607 CD2 LEU A 547 15.463 3.515 -2.516 1.00 0.46 C ATOM 0 H LEU A 547 16.072 0.047 -2.011 1.00 0.53 H new ATOM 0 HA LEU A 547 17.918 -0.010 -4.165 1.00 0.64 H new ATOM 0 HB2 LEU A 547 17.520 2.319 -4.314 1.00 0.59 H new ATOM 0 HB3 LEU A 547 16.000 1.539 -3.923 1.00 0.59 H new ATOM 0 HG LEU A 547 16.751 2.198 -1.434 1.00 0.50 H new ATOM 0 HD11 LEU A 547 17.764 4.440 -1.431 1.00 0.66 H new ATOM 0 HD12 LEU A 547 18.865 3.214 -2.105 1.00 0.66 H new ATOM 0 HD13 LEU A 547 18.002 4.330 -3.191 1.00 0.66 H new ATOM 0 HD21 LEU A 547 15.332 4.205 -1.683 1.00 0.46 H new ATOM 0 HD22 LEU A 547 15.469 4.073 -3.452 1.00 0.46 H new ATOM 0 HD23 LEU A 547 14.641 2.799 -2.526 1.00 0.46 H new ATOM 619 N GLU A 548 19.073 0.929 -1.242 1.00 0.69 N ATOM 620 CA GLU A 548 20.309 1.092 -0.478 1.00 0.85 C ATOM 621 C GLU A 548 21.187 -0.148 -0.603 1.00 0.97 C ATOM 622 O GLU A 548 22.414 -0.053 -0.686 1.00 1.12 O ATOM 623 CB GLU A 548 19.998 1.378 0.989 1.00 0.87 C ATOM 624 CG GLU A 548 19.427 2.767 1.220 1.00 0.88 C ATOM 625 CD GLU A 548 20.435 3.866 0.951 1.00 1.55 C ATOM 626 OE1 GLU A 548 20.544 4.320 -0.207 1.00 1.98 O ATOM 627 OE2 GLU A 548 21.121 4.289 1.905 1.00 2.23 O ATOM 0 H GLU A 548 18.223 0.963 -0.679 1.00 0.69 H new ATOM 0 HA GLU A 548 20.854 1.942 -0.889 1.00 0.85 H new ATOM 0 HB2 GLU A 548 19.289 0.635 1.355 1.00 0.87 H new ATOM 0 HB3 GLU A 548 20.910 1.265 1.576 1.00 0.87 H new ATOM 0 HG2 GLU A 548 18.559 2.910 0.576 1.00 0.88 H new ATOM 0 HG3 GLU A 548 19.077 2.845 2.249 1.00 0.88 H new ATOM 634 N ALA A 549 20.550 -1.313 -0.621 1.00 0.93 N ATOM 635 CA ALA A 549 21.259 -2.563 -0.838 1.00 1.09 C ATOM 636 C ALA A 549 21.903 -2.571 -2.219 1.00 1.20 C ATOM 637 O ALA A 549 23.065 -2.928 -2.361 1.00 1.35 O ATOM 638 CB ALA A 549 20.322 -3.752 -0.673 1.00 1.06 C ATOM 0 H ALA A 549 19.544 -1.415 -0.488 1.00 0.93 H new ATOM 0 HA ALA A 549 22.046 -2.649 -0.088 1.00 1.09 H new ATOM 0 HB1 ALA A 549 20.875 -4.677 -0.840 1.00 1.06 H new ATOM 0 HB2 ALA A 549 19.910 -3.753 0.336 1.00 1.06 H new ATOM 0 HB3 ALA A 549 19.510 -3.679 -1.397 1.00 1.06 H new ATOM 644 N GLN A 550 21.149 -2.135 -3.225 1.00 1.15 N ATOM 645 CA GLN A 550 21.644 -2.093 -4.602 1.00 1.31 C ATOM 646 C GLN A 550 22.877 -1.207 -4.711 1.00 1.43 C ATOM 647 O GLN A 550 23.768 -1.461 -5.517 1.00 1.65 O ATOM 648 CB GLN A 550 20.558 -1.581 -5.545 1.00 1.26 C ATOM 649 CG GLN A 550 19.297 -2.417 -5.506 1.00 1.20 C ATOM 650 CD GLN A 550 19.543 -3.858 -5.912 1.00 1.71 C ATOM 651 OE1 GLN A 550 20.396 -4.149 -6.753 1.00 2.38 O ATOM 652 NE2 GLN A 550 18.810 -4.773 -5.306 1.00 2.29 N ATOM 0 H GLN A 550 20.190 -1.805 -3.114 1.00 1.15 H new ATOM 0 HA GLN A 550 21.918 -3.108 -4.889 1.00 1.31 H new ATOM 0 HB2 GLN A 550 20.313 -0.552 -5.283 1.00 1.26 H new ATOM 0 HB3 GLN A 550 20.946 -1.567 -6.563 1.00 1.26 H new ATOM 0 HG2 GLN A 550 18.880 -2.393 -4.499 1.00 1.20 H new ATOM 0 HG3 GLN A 550 18.553 -1.978 -6.170 1.00 1.20 H new ATOM 0 HE21 GLN A 550 18.114 -4.493 -4.615 1.00 2.29 H new ATOM 0 HE22 GLN A 550 18.940 -5.760 -5.528 1.00 2.29 H new ATOM 661 N LYS A 551 22.912 -0.158 -3.907 1.00 1.33 N ATOM 662 CA LYS A 551 24.081 0.711 -3.841 1.00 1.50 C ATOM 663 C LYS A 551 25.291 -0.067 -3.347 1.00 1.72 C ATOM 664 O LYS A 551 26.331 -0.088 -3.998 1.00 2.01 O ATOM 665 CB LYS A 551 23.823 1.901 -2.917 1.00 1.43 C ATOM 666 CG LYS A 551 22.625 2.752 -3.311 1.00 1.36 C ATOM 667 CD LYS A 551 22.861 3.510 -4.607 1.00 1.66 C ATOM 668 CE LYS A 551 21.689 4.431 -4.921 1.00 1.93 C ATOM 669 NZ LYS A 551 21.936 5.280 -6.118 1.00 2.36 N ATOM 0 H LYS A 551 22.147 0.115 -3.290 1.00 1.33 H new ATOM 0 HA LYS A 551 24.280 1.085 -4.845 1.00 1.50 H new ATOM 0 HB2 LYS A 551 23.674 1.532 -1.902 1.00 1.43 H new ATOM 0 HB3 LYS A 551 24.712 2.532 -2.900 1.00 1.43 H new ATOM 0 HG2 LYS A 551 21.748 2.114 -3.420 1.00 1.36 H new ATOM 0 HG3 LYS A 551 22.406 3.461 -2.512 1.00 1.36 H new ATOM 0 HD2 LYS A 551 23.777 4.095 -4.529 1.00 1.66 H new ATOM 0 HD3 LYS A 551 23.003 2.804 -5.425 1.00 1.66 H new ATOM 0 HE2 LYS A 551 20.793 3.831 -5.083 1.00 1.93 H new ATOM 0 HE3 LYS A 551 21.493 5.070 -4.060 1.00 1.93 H new ATOM 0 HZ1 LYS A 551 21.110 5.888 -6.289 1.00 2.36 H new ATOM 0 HZ2 LYS A 551 22.775 5.873 -5.956 1.00 2.36 H new ATOM 0 HZ3 LYS A 551 22.097 4.673 -6.947 1.00 2.36 H new ATOM 683 N SER A 552 25.136 -0.719 -2.203 1.00 1.61 N ATOM 684 CA SER A 552 26.218 -1.481 -1.591 1.00 1.82 C ATOM 685 C SER A 552 26.610 -2.686 -2.447 1.00 1.95 C ATOM 686 O SER A 552 27.788 -3.038 -2.530 1.00 2.23 O ATOM 687 CB SER A 552 25.804 -1.929 -0.190 1.00 1.69 C ATOM 688 OG SER A 552 25.474 -0.809 0.616 1.00 1.76 O ATOM 0 H SER A 552 24.263 -0.736 -1.675 1.00 1.61 H new ATOM 0 HA SER A 552 27.093 -0.835 -1.519 1.00 1.82 H new ATOM 0 HB2 SER A 552 24.949 -2.601 -0.255 1.00 1.69 H new ATOM 0 HB3 SER A 552 26.616 -2.490 0.273 1.00 1.69 H new ATOM 0 HG SER A 552 25.210 -1.115 1.509 1.00 1.76 H new ATOM 694 N GLU A 553 25.628 -3.307 -3.085 1.00 1.81 N ATOM 695 CA GLU A 553 25.880 -4.448 -3.954 1.00 2.00 C ATOM 696 C GLU A 553 26.556 -4.004 -5.248 1.00 2.25 C ATOM 697 O GLU A 553 27.424 -4.695 -5.777 1.00 2.55 O ATOM 698 CB GLU A 553 24.572 -5.172 -4.277 1.00 1.88 C ATOM 699 CG GLU A 553 23.883 -5.764 -3.059 1.00 1.75 C ATOM 700 CD GLU A 553 24.646 -6.925 -2.458 1.00 1.97 C ATOM 701 OE1 GLU A 553 24.501 -8.062 -2.948 1.00 2.46 O ATOM 702 OE2 GLU A 553 25.400 -6.702 -1.489 1.00 1.91 O ATOM 0 H GLU A 553 24.646 -3.039 -3.017 1.00 1.81 H new ATOM 0 HA GLU A 553 26.546 -5.132 -3.428 1.00 2.00 H new ATOM 0 HB2 GLU A 553 23.892 -4.474 -4.764 1.00 1.88 H new ATOM 0 HB3 GLU A 553 24.776 -5.970 -4.991 1.00 1.88 H new ATOM 0 HG2 GLU A 553 23.759 -4.987 -2.304 1.00 1.75 H new ATOM 0 HG3 GLU A 553 22.884 -6.098 -3.339 1.00 1.75 H new ATOM 709 N GLY A 554 26.152 -2.840 -5.747 1.00 2.16 N ATOM 710 CA GLY A 554 26.672 -2.342 -7.006 1.00 2.43 C ATOM 711 C GLY A 554 28.039 -1.704 -6.866 1.00 2.68 C ATOM 712 O GLY A 554 28.877 -1.823 -7.761 1.00 2.98 O ATOM 0 H GLY A 554 25.469 -2.230 -5.298 1.00 2.16 H new ATOM 0 HA2 GLY A 554 26.731 -3.164 -7.720 1.00 2.43 H new ATOM 0 HA3 GLY A 554 25.976 -1.611 -7.418 1.00 2.43 H new ATOM 716 N LYS A 555 28.259 -1.004 -5.757 1.00 2.59 N ATOM 717 CA LYS A 555 29.553 -0.380 -5.495 1.00 2.88 C ATOM 718 C LYS A 555 30.628 -1.441 -5.242 1.00 3.09 C ATOM 719 O LYS A 555 31.811 -1.211 -5.492 1.00 3.44 O ATOM 720 CB LYS A 555 29.468 0.577 -4.296 1.00 2.82 C ATOM 721 CG LYS A 555 29.237 -0.129 -2.968 1.00 2.71 C ATOM 722 CD LYS A 555 29.137 0.846 -1.804 1.00 2.71 C ATOM 723 CE LYS A 555 30.425 1.629 -1.612 1.00 2.99 C ATOM 724 NZ LYS A 555 30.421 2.391 -0.338 1.00 3.58 N ATOM 0 H LYS A 555 27.562 -0.855 -5.028 1.00 2.59 H new ATOM 0 HA LYS A 555 29.829 0.194 -6.379 1.00 2.88 H new ATOM 0 HB2 LYS A 555 30.391 1.153 -4.236 1.00 2.82 H new ATOM 0 HB3 LYS A 555 28.659 1.288 -4.466 1.00 2.82 H new ATOM 0 HG2 LYS A 555 28.321 -0.717 -3.026 1.00 2.71 H new ATOM 0 HG3 LYS A 555 30.053 -0.828 -2.784 1.00 2.71 H new ATOM 0 HD2 LYS A 555 28.313 1.538 -1.979 1.00 2.71 H new ATOM 0 HD3 LYS A 555 28.905 0.299 -0.890 1.00 2.71 H new ATOM 0 HE2 LYS A 555 31.272 0.944 -1.623 1.00 2.99 H new ATOM 0 HE3 LYS A 555 30.560 2.317 -2.447 1.00 2.99 H new ATOM 0 HZ1 LYS A 555 31.316 2.912 -0.242 1.00 3.58 H new ATOM 0 HZ2 LYS A 555 29.627 3.063 -0.338 1.00 3.58 H new ATOM 0 HZ3 LYS A 555 30.317 1.732 0.460 1.00 3.58 H new ATOM 738 N SER A 556 30.210 -2.601 -4.757 1.00 2.91 N ATOM 739 CA SER A 556 31.140 -3.664 -4.419 1.00 3.12 C ATOM 740 C SER A 556 31.231 -4.677 -5.560 1.00 3.40 C ATOM 741 O SER A 556 30.680 -4.462 -6.640 1.00 3.67 O ATOM 742 CB SER A 556 30.686 -4.352 -3.128 1.00 2.84 C ATOM 743 OG SER A 556 31.701 -5.192 -2.600 1.00 3.07 O ATOM 0 H SER A 556 29.230 -2.829 -4.589 1.00 2.91 H new ATOM 0 HA SER A 556 32.130 -3.235 -4.265 1.00 3.12 H new ATOM 0 HB2 SER A 556 30.416 -3.598 -2.389 1.00 2.84 H new ATOM 0 HB3 SER A 556 29.790 -4.941 -3.324 1.00 2.84 H new ATOM 0 HG SER A 556 31.380 -5.614 -1.776 1.00 3.07 H new ATOM 749 N LEU A 557 31.937 -5.771 -5.321 1.00 3.70 N ATOM 750 CA LEU A 557 32.073 -6.823 -6.310 1.00 4.05 C ATOM 751 C LEU A 557 30.917 -7.804 -6.177 1.00 4.48 C ATOM 752 O LEU A 557 30.951 -8.636 -5.245 1.00 4.98 O ATOM 753 CB LEU A 557 33.409 -7.564 -6.148 1.00 4.73 C ATOM 754 CG LEU A 557 34.679 -6.755 -6.449 1.00 5.04 C ATOM 755 CD1 LEU A 557 34.556 -6.033 -7.777 1.00 5.74 C ATOM 756 CD2 LEU A 557 34.989 -5.773 -5.328 1.00 5.35 C ATOM 757 OXT LEU A 557 29.975 -7.738 -6.996 1.00 4.73 O ATOM 0 H LEU A 557 32.426 -5.952 -4.445 1.00 3.70 H new ATOM 0 HA LEU A 557 32.055 -6.368 -7.300 1.00 4.05 H new ATOM 0 HB2 LEU A 557 33.473 -7.933 -5.124 1.00 4.73 H new ATOM 0 HB3 LEU A 557 33.397 -8.437 -6.801 1.00 4.73 H new ATOM 0 HG LEU A 557 35.511 -7.457 -6.516 1.00 5.04 H new ATOM 0 HD11 LEU A 557 35.467 -5.467 -7.969 1.00 5.74 H new ATOM 0 HD12 LEU A 557 34.406 -6.761 -8.574 1.00 5.74 H new ATOM 0 HD13 LEU A 557 33.706 -5.352 -7.743 1.00 5.74 H new ATOM 0 HD21 LEU A 557 35.894 -5.216 -5.572 1.00 5.35 H new ATOM 0 HD22 LEU A 557 34.156 -5.079 -5.211 1.00 5.35 H new ATOM 0 HD23 LEU A 557 35.139 -6.319 -4.397 1.00 5.35 H new TER 769 LEU A 557