USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=18 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 Single : A 511 SER OG : rot 180:sc= -0.0128 USER MOD Single : A 514 THR OG1 : rot 180:sc= 0.0128 USER MOD Single : A 515 CYS SG : rot -40:sc= -2.5! USER MOD Single : A 516 MET CE :methyl -107:sc= -0.519 (180deg=-2.37!) USER MOD Single : A 517 SER OG : rot 180:sc=-0.00188 USER MOD Single : A 520 SER OG : rot -89:sc= 1.28 USER MOD Single : A 521 GLN :FLIP amide:sc=-0.00347 F(o=-1.1,f=-0.0035) USER MOD Single : A 524 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0855) 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 K(o=0,f=-0.69) USER MOD Single : A 530 LYS NZ :NH3+ -165:sc= -0.0553 (180deg=-0.308) USER MOD Single : A 532 GLN : amide:sc= -0.721 X(o=-0.72,f=-1) USER MOD Single : A 533 THR OG1 : rot 81:sc= 1.24 USER MOD Single : A 538 THR OG1 : rot 85:sc= 1.25 USER MOD Single : A 540 GLN :FLIP amide:sc= -0.755 F(o=-4.9!,f=-0.75) USER MOD Single : A 541 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 542 GLN : amide:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : A 544 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 545 GLN : amide:sc= -0.676 X(o=-0.68,f=-0.22) USER MOD Single : A 550 GLN :FLIP amide:sc= -0.183 F(o=-1.3,f=-0.18) USER MOD Single : A 551 LYS NZ :NH3+ 163:sc= -0.0219 (180deg=-0.244) USER MOD Single : A 552 SER OG : rot 78:sc= 0.702 USER MOD Single : A 555 LYS NZ :NH3+ 165:sc= -0.0739 (180deg=-0.37) USER MOD Single : A 556 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 510 -32.787 10.286 -1.602 1.00 9.10 N ATOM 2 CA GLY A 510 -32.410 8.890 -1.272 1.00 8.55 C ATOM 3 C GLY A 510 -33.002 8.447 0.046 1.00 7.83 C ATOM 4 O GLY A 510 -32.923 9.170 1.039 1.00 8.04 O ATOM 0 HA2 GLY A 510 -32.750 8.224 -2.065 1.00 8.55 H new ATOM 0 HA3 GLY A 510 -31.324 8.807 -1.229 1.00 8.55 H new ATOM 10 N SER A 511 -33.588 7.260 0.067 1.00 7.22 N ATOM 11 CA SER A 511 -34.219 6.744 1.273 1.00 6.73 C ATOM 12 C SER A 511 -33.236 5.920 2.107 1.00 6.19 C ATOM 13 O SER A 511 -33.629 4.965 2.776 1.00 5.90 O ATOM 14 CB SER A 511 -35.436 5.900 0.893 1.00 6.95 C ATOM 15 OG SER A 511 -35.100 4.934 -0.091 1.00 7.47 O ATOM 0 H SER A 511 -33.640 6.635 -0.738 1.00 7.22 H new ATOM 0 HA SER A 511 -34.540 7.588 1.883 1.00 6.73 H new ATOM 0 HB2 SER A 511 -35.827 5.400 1.779 1.00 6.95 H new ATOM 0 HB3 SER A 511 -36.228 6.547 0.516 1.00 6.95 H new ATOM 0 HG SER A 511 -35.894 4.406 -0.316 1.00 7.47 H new ATOM 21 N VAL A 512 -31.955 6.294 2.046 1.00 6.20 N ATOM 22 CA VAL A 512 -30.887 5.625 2.797 1.00 5.78 C ATOM 23 C VAL A 512 -30.581 4.233 2.246 1.00 5.49 C ATOM 24 O VAL A 512 -29.445 3.945 1.900 1.00 5.11 O ATOM 25 CB VAL A 512 -31.203 5.527 4.310 1.00 6.06 C ATOM 26 CG1 VAL A 512 -30.164 4.670 5.020 1.00 5.88 C ATOM 27 CG2 VAL A 512 -31.269 6.915 4.934 1.00 6.40 C ATOM 0 H VAL A 512 -31.628 7.072 1.473 1.00 6.20 H new ATOM 0 HA VAL A 512 -30.003 6.251 2.671 1.00 5.78 H new ATOM 0 HB VAL A 512 -32.177 5.052 4.427 1.00 6.06 H new ATOM 0 HG11 VAL A 512 -30.403 4.613 6.082 1.00 5.88 H new ATOM 0 HG12 VAL A 512 -30.167 3.667 4.593 1.00 5.88 H new ATOM 0 HG13 VAL A 512 -29.177 5.115 4.894 1.00 5.88 H new ATOM 0 HG21 VAL A 512 -31.492 6.826 5.997 1.00 6.40 H new ATOM 0 HG22 VAL A 512 -30.310 7.418 4.805 1.00 6.40 H new ATOM 0 HG23 VAL A 512 -32.052 7.496 4.447 1.00 6.40 H new ATOM 37 N GLU A 513 -31.598 3.396 2.144 1.00 5.73 N ATOM 38 CA GLU A 513 -31.440 2.006 1.731 1.00 5.58 C ATOM 39 C GLU A 513 -30.732 1.884 0.380 1.00 5.26 C ATOM 40 O GLU A 513 -29.867 1.028 0.201 1.00 4.95 O ATOM 41 CB GLU A 513 -32.810 1.339 1.665 1.00 6.03 C ATOM 42 CG GLU A 513 -33.801 2.085 0.783 1.00 6.54 C ATOM 43 CD GLU A 513 -35.126 1.373 0.658 1.00 7.02 C ATOM 44 OE1 GLU A 513 -35.154 0.279 0.059 1.00 7.27 O ATOM 45 OE2 GLU A 513 -36.143 1.908 1.143 1.00 7.40 O ATOM 0 H GLU A 513 -32.563 3.659 2.345 1.00 5.73 H new ATOM 0 HA GLU A 513 -30.815 1.505 2.470 1.00 5.58 H new ATOM 0 HB2 GLU A 513 -32.694 0.322 1.289 1.00 6.03 H new ATOM 0 HB3 GLU A 513 -33.218 1.262 2.673 1.00 6.03 H new ATOM 0 HG2 GLU A 513 -33.967 3.081 1.193 1.00 6.54 H new ATOM 0 HG3 GLU A 513 -33.370 2.216 -0.209 1.00 6.54 H new ATOM 52 N THR A 514 -31.087 2.750 -0.556 1.00 5.38 N ATOM 53 CA THR A 514 -30.521 2.705 -1.895 1.00 5.15 C ATOM 54 C THR A 514 -29.127 3.329 -1.925 1.00 4.74 C ATOM 55 O THR A 514 -28.387 3.180 -2.895 1.00 4.68 O ATOM 56 CB THR A 514 -31.435 3.451 -2.880 1.00 5.39 C ATOM 57 OG1 THR A 514 -32.795 3.363 -2.430 1.00 5.70 O ATOM 58 CG2 THR A 514 -31.321 2.872 -4.279 1.00 5.67 C ATOM 0 H THR A 514 -31.768 3.496 -0.412 1.00 5.38 H new ATOM 0 HA THR A 514 -30.440 1.659 -2.189 1.00 5.15 H new ATOM 0 HB THR A 514 -31.123 4.495 -2.917 1.00 5.39 H new ATOM 0 HG1 THR A 514 -33.378 3.840 -3.057 1.00 5.70 H new ATOM 0 HG21 THR A 514 -31.979 3.420 -4.954 1.00 5.67 H new ATOM 0 HG22 THR A 514 -30.291 2.959 -4.626 1.00 5.67 H new ATOM 0 HG23 THR A 514 -31.611 1.821 -4.263 1.00 5.67 H new ATOM 66 N CYS A 515 -28.777 4.040 -0.861 1.00 4.56 N ATOM 67 CA CYS A 515 -27.439 4.598 -0.732 1.00 4.21 C ATOM 68 C CYS A 515 -26.571 3.614 0.039 1.00 3.93 C ATOM 69 O CYS A 515 -25.388 3.453 -0.234 1.00 3.56 O ATOM 70 CB CYS A 515 -27.483 5.949 -0.012 1.00 4.40 C ATOM 71 SG CYS A 515 -25.956 6.912 -0.126 1.00 4.96 S ATOM 0 H CYS A 515 -29.399 4.243 -0.078 1.00 4.56 H new ATOM 0 HA CYS A 515 -27.017 4.763 -1.723 1.00 4.21 H new ATOM 0 HB2 CYS A 515 -28.301 6.539 -0.424 1.00 4.40 H new ATOM 0 HB3 CYS A 515 -27.712 5.778 1.040 1.00 4.40 H new ATOM 0 HG CYS A 515 -24.933 6.119 -0.005 1.00 4.96 H new ATOM 77 N MET A 516 -27.195 2.937 0.992 1.00 4.13 N ATOM 78 CA MET A 516 -26.539 1.910 1.791 1.00 3.95 C ATOM 79 C MET A 516 -25.927 0.835 0.895 1.00 3.70 C ATOM 80 O MET A 516 -24.870 0.276 1.205 1.00 3.40 O ATOM 81 CB MET A 516 -27.555 1.294 2.760 1.00 4.28 C ATOM 82 CG MET A 516 -27.059 0.049 3.477 1.00 4.27 C ATOM 83 SD MET A 516 -28.274 -0.617 4.634 1.00 4.83 S ATOM 84 CE MET A 516 -29.639 -0.982 3.531 1.00 5.80 C ATOM 0 H MET A 516 -28.175 3.085 1.234 1.00 4.13 H new ATOM 0 HA MET A 516 -25.730 2.365 2.362 1.00 3.95 H new ATOM 0 HB2 MET A 516 -27.830 2.042 3.503 1.00 4.28 H new ATOM 0 HB3 MET A 516 -28.461 1.045 2.208 1.00 4.28 H new ATOM 0 HG2 MET A 516 -26.808 -0.714 2.740 1.00 4.27 H new ATOM 0 HG3 MET A 516 -26.142 0.286 4.016 1.00 4.27 H new ATOM 0 HE1 MET A 516 -30.435 -0.253 3.684 1.00 5.80 H new ATOM 0 HE2 MET A 516 -29.295 -0.932 2.498 1.00 5.80 H new ATOM 0 HE3 MET A 516 -30.018 -1.982 3.740 1.00 5.80 H new ATOM 94 N SER A 517 -26.587 0.564 -0.222 1.00 3.87 N ATOM 95 CA SER A 517 -26.109 -0.434 -1.163 1.00 3.73 C ATOM 96 C SER A 517 -24.832 0.040 -1.875 1.00 3.38 C ATOM 97 O SER A 517 -23.829 -0.680 -1.916 1.00 3.11 O ATOM 98 CB SER A 517 -27.217 -0.733 -2.179 1.00 4.09 C ATOM 99 OG SER A 517 -27.642 0.447 -2.839 1.00 4.52 O ATOM 0 H SER A 517 -27.455 1.023 -0.497 1.00 3.87 H new ATOM 0 HA SER A 517 -25.857 -1.344 -0.619 1.00 3.73 H new ATOM 0 HB2 SER A 517 -26.856 -1.453 -2.913 1.00 4.09 H new ATOM 0 HB3 SER A 517 -28.064 -1.194 -1.671 1.00 4.09 H new ATOM 0 HG SER A 517 -28.348 0.226 -3.482 1.00 4.52 H new ATOM 105 N LEU A 518 -24.856 1.258 -2.409 1.00 3.41 N ATOM 106 CA LEU A 518 -23.689 1.809 -3.085 1.00 3.15 C ATOM 107 C LEU A 518 -22.552 2.093 -2.108 1.00 2.83 C ATOM 108 O LEU A 518 -21.384 1.843 -2.410 1.00 2.54 O ATOM 109 CB LEU A 518 -24.044 3.058 -3.914 1.00 3.32 C ATOM 110 CG LEU A 518 -24.907 4.140 -3.244 1.00 3.52 C ATOM 111 CD1 LEU A 518 -24.066 5.072 -2.383 1.00 3.34 C ATOM 112 CD2 LEU A 518 -25.663 4.936 -4.299 1.00 3.86 C ATOM 0 H LEU A 518 -25.666 1.878 -2.386 1.00 3.41 H new ATOM 0 HA LEU A 518 -23.337 1.048 -3.781 1.00 3.15 H new ATOM 0 HB2 LEU A 518 -23.112 3.524 -4.235 1.00 3.32 H new ATOM 0 HB3 LEU A 518 -24.561 2.727 -4.815 1.00 3.32 H new ATOM 0 HG LEU A 518 -25.623 3.640 -2.591 1.00 3.52 H new ATOM 0 HD11 LEU A 518 -24.709 5.824 -1.925 1.00 3.34 H new ATOM 0 HD12 LEU A 518 -23.568 4.496 -1.603 1.00 3.34 H new ATOM 0 HD13 LEU A 518 -23.317 5.564 -3.004 1.00 3.34 H new ATOM 0 HD21 LEU A 518 -26.271 5.699 -3.813 1.00 3.86 H new ATOM 0 HD22 LEU A 518 -24.952 5.413 -4.973 1.00 3.86 H new ATOM 0 HD23 LEU A 518 -26.308 4.266 -4.867 1.00 3.86 H new ATOM 124 N ALA A 519 -22.907 2.601 -0.938 1.00 2.92 N ATOM 125 CA ALA A 519 -21.933 2.945 0.089 1.00 2.71 C ATOM 126 C ALA A 519 -21.143 1.725 0.541 1.00 2.50 C ATOM 127 O ALA A 519 -19.924 1.793 0.688 1.00 2.24 O ATOM 128 CB ALA A 519 -22.632 3.595 1.273 1.00 2.96 C ATOM 0 H ALA A 519 -23.874 2.786 -0.673 1.00 2.92 H new ATOM 0 HA ALA A 519 -21.225 3.654 -0.341 1.00 2.71 H new ATOM 0 HB1 ALA A 519 -21.896 3.849 2.036 1.00 2.96 H new ATOM 0 HB2 ALA A 519 -23.140 4.501 0.943 1.00 2.96 H new ATOM 0 HB3 ALA A 519 -23.362 2.901 1.690 1.00 2.96 H new ATOM 134 N SER A 520 -21.830 0.607 0.740 1.00 2.66 N ATOM 135 CA SER A 520 -21.168 -0.624 1.153 1.00 2.54 C ATOM 136 C SER A 520 -20.242 -1.134 0.058 1.00 2.31 C ATOM 137 O SER A 520 -19.168 -1.660 0.345 1.00 2.10 O ATOM 138 CB SER A 520 -22.196 -1.683 1.535 1.00 2.83 C ATOM 139 OG SER A 520 -23.223 -1.774 0.566 1.00 2.98 O ATOM 0 H SER A 520 -22.840 0.527 0.623 1.00 2.66 H new ATOM 0 HA SER A 520 -20.560 -0.408 2.032 1.00 2.54 H new ATOM 0 HB2 SER A 520 -21.704 -2.650 1.639 1.00 2.83 H new ATOM 0 HB3 SER A 520 -22.629 -1.440 2.505 1.00 2.83 H new ATOM 0 HG SER A 520 -23.942 -1.147 0.792 1.00 2.98 H new ATOM 145 N GLN A 521 -20.647 -0.964 -1.199 1.00 2.40 N ATOM 146 CA GLN A 521 -19.775 -1.307 -2.316 1.00 2.26 C ATOM 147 C GLN A 521 -18.509 -0.456 -2.273 1.00 1.95 C ATOM 148 O GLN A 521 -17.401 -0.974 -2.381 1.00 1.75 O ATOM 149 CB GLN A 521 -20.491 -1.128 -3.649 1.00 2.49 C ATOM 150 CG GLN A 521 -21.670 -2.066 -3.831 1.00 2.84 C ATOM 151 CD GLN A 521 -22.374 -1.876 -5.160 1.00 3.23 C ATOM 152 OE1 GLN A 521 -21.628 -1.465 -6.176 1.00 3.85 O flip ATOM 153 NE2 GLN A 521 -23.580 -2.101 -5.273 1.00 3.40 N flip ATOM 0 H GLN A 521 -21.560 -0.596 -1.466 1.00 2.40 H new ATOM 0 HA GLN A 521 -19.500 -2.358 -2.223 1.00 2.26 H new ATOM 0 HB2 GLN A 521 -20.840 -0.098 -3.730 1.00 2.49 H new ATOM 0 HB3 GLN A 521 -19.780 -1.289 -4.459 1.00 2.49 H new ATOM 0 HG2 GLN A 521 -21.324 -3.097 -3.753 1.00 2.84 H new ATOM 0 HG3 GLN A 521 -22.383 -1.907 -3.022 1.00 2.84 H new ATOM 0 HE21 GLN A 521 -24.118 -2.416 -4.466 1.00 3.40 H new ATOM 0 HE22 GLN A 521 -24.041 -1.972 -6.174 1.00 3.40 H new ATOM 162 N VAL A 522 -18.680 0.849 -2.078 1.00 1.94 N ATOM 163 CA VAL A 522 -17.550 1.765 -1.940 1.00 1.71 C ATOM 164 C VAL A 522 -16.670 1.350 -0.767 1.00 1.52 C ATOM 165 O VAL A 522 -15.445 1.426 -0.838 1.00 1.28 O ATOM 166 CB VAL A 522 -18.013 3.223 -1.736 1.00 1.86 C ATOM 167 CG1 VAL A 522 -16.825 4.156 -1.548 1.00 1.69 C ATOM 168 CG2 VAL A 522 -18.865 3.680 -2.906 1.00 2.07 C ATOM 0 H VAL A 522 -19.594 1.298 -2.012 1.00 1.94 H new ATOM 0 HA VAL A 522 -16.980 1.713 -2.868 1.00 1.71 H new ATOM 0 HB VAL A 522 -18.617 3.259 -0.829 1.00 1.86 H new ATOM 0 HG11 VAL A 522 -17.182 5.176 -1.407 1.00 1.69 H new ATOM 0 HG12 VAL A 522 -16.254 3.847 -0.672 1.00 1.69 H new ATOM 0 HG13 VAL A 522 -16.186 4.114 -2.430 1.00 1.69 H new ATOM 0 HG21 VAL A 522 -19.182 4.710 -2.745 1.00 2.07 H new ATOM 0 HG22 VAL A 522 -18.283 3.619 -3.826 1.00 2.07 H new ATOM 0 HG23 VAL A 522 -19.743 3.039 -2.989 1.00 2.07 H new ATOM 178 N VAL A 523 -17.313 0.906 0.306 1.00 1.66 N ATOM 179 CA VAL A 523 -16.622 0.474 1.507 1.00 1.58 C ATOM 180 C VAL A 523 -15.678 -0.693 1.207 1.00 1.41 C ATOM 181 O VAL A 523 -14.560 -0.741 1.723 1.00 1.24 O ATOM 182 CB VAL A 523 -17.650 0.094 2.606 1.00 1.85 C ATOM 183 CG1 VAL A 523 -17.098 -0.945 3.561 1.00 1.86 C ATOM 184 CG2 VAL A 523 -18.093 1.333 3.367 1.00 1.98 C ATOM 0 H VAL A 523 -18.329 0.837 0.365 1.00 1.66 H new ATOM 0 HA VAL A 523 -16.014 1.301 1.874 1.00 1.58 H new ATOM 0 HB VAL A 523 -18.514 -0.346 2.109 1.00 1.85 H new ATOM 0 HG11 VAL A 523 -17.849 -1.182 4.314 1.00 1.86 H new ATOM 0 HG12 VAL A 523 -16.841 -1.848 3.007 1.00 1.86 H new ATOM 0 HG13 VAL A 523 -16.206 -0.553 4.049 1.00 1.86 H new ATOM 0 HG21 VAL A 523 -18.814 1.050 4.134 1.00 1.98 H new ATOM 0 HG22 VAL A 523 -17.228 1.800 3.837 1.00 1.98 H new ATOM 0 HG23 VAL A 523 -18.556 2.038 2.676 1.00 1.98 H new ATOM 194 N LYS A 524 -16.111 -1.620 0.363 1.00 1.52 N ATOM 195 CA LYS A 524 -15.245 -2.718 -0.052 1.00 1.44 C ATOM 196 C LYS A 524 -14.067 -2.201 -0.877 1.00 1.21 C ATOM 197 O LYS A 524 -12.933 -2.638 -0.691 1.00 1.07 O ATOM 198 CB LYS A 524 -16.023 -3.774 -0.842 1.00 1.69 C ATOM 199 CG LYS A 524 -16.572 -4.895 0.024 1.00 1.91 C ATOM 200 CD LYS A 524 -17.679 -4.408 0.944 1.00 2.09 C ATOM 201 CE LYS A 524 -17.960 -5.402 2.057 1.00 2.33 C ATOM 202 NZ LYS A 524 -18.291 -6.752 1.533 1.00 2.48 N ATOM 0 H LYS A 524 -17.046 -1.636 -0.045 1.00 1.52 H new ATOM 0 HA LYS A 524 -14.857 -3.188 0.852 1.00 1.44 H new ATOM 0 HB2 LYS A 524 -16.849 -3.291 -1.364 1.00 1.69 H new ATOM 0 HB3 LYS A 524 -15.370 -4.200 -1.604 1.00 1.69 H new ATOM 0 HG2 LYS A 524 -16.954 -5.693 -0.613 1.00 1.91 H new ATOM 0 HG3 LYS A 524 -15.765 -5.322 0.620 1.00 1.91 H new ATOM 0 HD2 LYS A 524 -17.398 -3.448 1.376 1.00 2.09 H new ATOM 0 HD3 LYS A 524 -18.588 -4.243 0.365 1.00 2.09 H new ATOM 0 HE2 LYS A 524 -17.089 -5.471 2.709 1.00 2.33 H new ATOM 0 HE3 LYS A 524 -18.787 -5.038 2.667 1.00 2.33 H new ATOM 0 HZ1 LYS A 524 -18.590 -7.365 2.318 1.00 2.48 H new ATOM 0 HZ2 LYS A 524 -19.062 -6.676 0.840 1.00 2.48 H new ATOM 0 HZ3 LYS A 524 -17.452 -7.161 1.074 1.00 2.48 H new ATOM 216 N LEU A 525 -14.338 -1.257 -1.774 1.00 1.21 N ATOM 217 CA LEU A 525 -13.284 -0.676 -2.604 1.00 1.06 C ATOM 218 C LEU A 525 -12.274 0.089 -1.755 1.00 0.82 C ATOM 219 O LEU A 525 -11.069 -0.122 -1.876 1.00 0.67 O ATOM 220 CB LEU A 525 -13.859 0.260 -3.679 1.00 1.19 C ATOM 221 CG LEU A 525 -14.347 -0.419 -4.965 1.00 1.42 C ATOM 222 CD1 LEU A 525 -15.571 -1.275 -4.705 1.00 1.62 C ATOM 223 CD2 LEU A 525 -14.642 0.622 -6.035 1.00 1.56 C ATOM 0 H LEU A 525 -15.270 -0.880 -1.945 1.00 1.21 H new ATOM 0 HA LEU A 525 -12.780 -1.506 -3.099 1.00 1.06 H new ATOM 0 HB2 LEU A 525 -14.692 0.813 -3.244 1.00 1.19 H new ATOM 0 HB3 LEU A 525 -13.095 0.991 -3.944 1.00 1.19 H new ATOM 0 HG LEU A 525 -13.552 -1.073 -5.322 1.00 1.42 H new ATOM 0 HD11 LEU A 525 -15.892 -1.743 -5.636 1.00 1.62 H new ATOM 0 HD12 LEU A 525 -15.326 -2.048 -3.976 1.00 1.62 H new ATOM 0 HD13 LEU A 525 -16.375 -0.651 -4.316 1.00 1.62 H new ATOM 0 HD21 LEU A 525 -14.987 0.124 -6.941 1.00 1.56 H new ATOM 0 HD22 LEU A 525 -15.415 1.302 -5.678 1.00 1.56 H new ATOM 0 HD23 LEU A 525 -13.735 1.186 -6.254 1.00 1.56 H new ATOM 235 N THR A 526 -12.773 0.953 -0.877 1.00 0.84 N ATOM 236 CA THR A 526 -11.909 1.805 -0.072 1.00 0.73 C ATOM 237 C THR A 526 -11.037 0.966 0.862 1.00 0.62 C ATOM 238 O THR A 526 -9.886 1.316 1.123 1.00 0.52 O ATOM 239 CB THR A 526 -12.722 2.855 0.735 1.00 0.91 C ATOM 240 OG1 THR A 526 -11.841 3.830 1.306 1.00 1.14 O ATOM 241 CG2 THR A 526 -13.532 2.211 1.848 1.00 1.40 C ATOM 0 H THR A 526 -13.770 1.081 -0.706 1.00 0.84 H new ATOM 0 HA THR A 526 -11.260 2.349 -0.758 1.00 0.73 H new ATOM 0 HB THR A 526 -13.411 3.332 0.038 1.00 0.91 H new ATOM 0 HG1 THR A 526 -12.364 4.487 1.811 1.00 1.14 H new ATOM 0 HG21 THR A 526 -14.085 2.980 2.387 1.00 1.40 H new ATOM 0 HG22 THR A 526 -14.232 1.493 1.420 1.00 1.40 H new ATOM 0 HG23 THR A 526 -12.861 1.697 2.536 1.00 1.40 H new ATOM 249 N LYS A 527 -11.572 -0.152 1.342 1.00 0.72 N ATOM 250 CA LYS A 527 -10.808 -1.035 2.208 1.00 0.71 C ATOM 251 C LYS A 527 -9.684 -1.702 1.429 1.00 0.55 C ATOM 252 O LYS A 527 -8.538 -1.729 1.876 1.00 0.47 O ATOM 253 CB LYS A 527 -11.711 -2.093 2.849 1.00 0.91 C ATOM 254 CG LYS A 527 -10.980 -2.989 3.834 1.00 1.04 C ATOM 255 CD LYS A 527 -10.321 -2.173 4.934 1.00 1.12 C ATOM 256 CE LYS A 527 -11.340 -1.394 5.748 1.00 1.24 C ATOM 257 NZ LYS A 527 -12.135 -2.277 6.641 1.00 1.60 N ATOM 0 H LYS A 527 -12.523 -0.464 1.147 1.00 0.72 H new ATOM 0 HA LYS A 527 -10.373 -0.432 3.005 1.00 0.71 H new ATOM 0 HB2 LYS A 527 -12.534 -1.596 3.362 1.00 0.91 H new ATOM 0 HB3 LYS A 527 -12.150 -2.709 2.065 1.00 0.91 H new ATOM 0 HG2 LYS A 527 -11.681 -3.698 4.274 1.00 1.04 H new ATOM 0 HG3 LYS A 527 -10.224 -3.572 3.308 1.00 1.04 H new ATOM 0 HD2 LYS A 527 -9.761 -2.837 5.593 1.00 1.12 H new ATOM 0 HD3 LYS A 527 -9.603 -1.481 4.493 1.00 1.12 H new ATOM 0 HE2 LYS A 527 -10.826 -0.642 6.347 1.00 1.24 H new ATOM 0 HE3 LYS A 527 -12.011 -0.862 5.074 1.00 1.24 H new ATOM 0 HZ1 LYS A 527 -12.818 -1.704 7.177 1.00 1.60 H new ATOM 0 HZ2 LYS A 527 -12.646 -2.979 6.069 1.00 1.60 H new ATOM 0 HZ3 LYS A 527 -11.498 -2.766 7.302 1.00 1.60 H new ATOM 271 N GLN A 528 -10.014 -2.223 0.256 1.00 0.59 N ATOM 272 CA GLN A 528 -9.027 -2.881 -0.587 1.00 0.55 C ATOM 273 C GLN A 528 -7.941 -1.896 -1.006 1.00 0.40 C ATOM 274 O GLN A 528 -6.756 -2.225 -1.002 1.00 0.37 O ATOM 275 CB GLN A 528 -9.687 -3.481 -1.824 1.00 0.75 C ATOM 276 CG GLN A 528 -8.743 -4.349 -2.638 1.00 1.38 C ATOM 277 CD GLN A 528 -9.356 -4.835 -3.934 1.00 1.87 C ATOM 278 OE1 GLN A 528 -10.187 -4.158 -4.542 1.00 2.56 O ATOM 279 NE2 GLN A 528 -8.952 -6.019 -4.362 1.00 2.33 N ATOM 0 H GLN A 528 -10.957 -2.203 -0.133 1.00 0.59 H new ATOM 0 HA GLN A 528 -8.572 -3.685 -0.009 1.00 0.55 H new ATOM 0 HB2 GLN A 528 -10.547 -4.077 -1.517 1.00 0.75 H new ATOM 0 HB3 GLN A 528 -10.066 -2.676 -2.454 1.00 0.75 H new ATOM 0 HG2 GLN A 528 -7.838 -3.783 -2.860 1.00 1.38 H new ATOM 0 HG3 GLN A 528 -8.442 -5.209 -2.040 1.00 1.38 H new ATOM 0 HE21 GLN A 528 -8.262 -6.546 -3.827 1.00 2.33 H new ATOM 0 HE22 GLN A 528 -9.331 -6.405 -5.227 1.00 2.33 H new ATOM 288 N LEU A 529 -8.356 -0.685 -1.360 1.00 0.37 N ATOM 289 CA LEU A 529 -7.424 0.373 -1.730 1.00 0.33 C ATOM 290 C LEU A 529 -6.499 0.689 -0.568 1.00 0.22 C ATOM 291 O LEU A 529 -5.288 0.819 -0.741 1.00 0.26 O ATOM 292 CB LEU A 529 -8.187 1.634 -2.120 1.00 0.43 C ATOM 293 CG LEU A 529 -9.071 1.515 -3.358 1.00 0.58 C ATOM 294 CD1 LEU A 529 -9.907 2.770 -3.511 1.00 0.67 C ATOM 295 CD2 LEU A 529 -8.225 1.274 -4.599 1.00 0.69 C ATOM 0 H LEU A 529 -9.338 -0.411 -1.399 1.00 0.37 H new ATOM 0 HA LEU A 529 -6.834 0.029 -2.579 1.00 0.33 H new ATOM 0 HB2 LEU A 529 -8.811 1.934 -1.278 1.00 0.43 H new ATOM 0 HB3 LEU A 529 -7.467 2.436 -2.285 1.00 0.43 H new ATOM 0 HG LEU A 529 -9.738 0.661 -3.238 1.00 0.58 H new ATOM 0 HD11 LEU A 529 -10.537 2.682 -4.396 1.00 0.67 H new ATOM 0 HD12 LEU A 529 -10.535 2.898 -2.630 1.00 0.67 H new ATOM 0 HD13 LEU A 529 -9.251 3.634 -3.618 1.00 0.67 H new ATOM 0 HD21 LEU A 529 -8.874 1.192 -5.471 1.00 0.69 H new ATOM 0 HD22 LEU A 529 -7.535 2.107 -4.737 1.00 0.69 H new ATOM 0 HD23 LEU A 529 -7.659 0.350 -4.480 1.00 0.69 H new ATOM 307 N LYS A 530 -7.085 0.803 0.614 1.00 0.23 N ATOM 308 CA LYS A 530 -6.318 1.045 1.829 1.00 0.30 C ATOM 309 C LYS A 530 -5.312 -0.077 2.056 1.00 0.24 C ATOM 310 O LYS A 530 -4.147 0.178 2.368 1.00 0.29 O ATOM 311 CB LYS A 530 -7.252 1.178 3.036 1.00 0.47 C ATOM 312 CG LYS A 530 -6.550 1.620 4.312 1.00 1.14 C ATOM 313 CD LYS A 530 -5.843 2.951 4.119 1.00 1.72 C ATOM 314 CE LYS A 530 -5.217 3.453 5.408 1.00 2.36 C ATOM 315 NZ LYS A 530 -6.241 3.702 6.456 1.00 2.78 N ATOM 0 H LYS A 530 -8.092 0.732 0.759 1.00 0.23 H new ATOM 0 HA LYS A 530 -5.772 1.981 1.711 1.00 0.30 H new ATOM 0 HB2 LYS A 530 -8.038 1.895 2.798 1.00 0.47 H new ATOM 0 HB3 LYS A 530 -7.739 0.219 3.214 1.00 0.47 H new ATOM 0 HG2 LYS A 530 -7.278 1.706 5.119 1.00 1.14 H new ATOM 0 HG3 LYS A 530 -5.827 0.862 4.614 1.00 1.14 H new ATOM 0 HD2 LYS A 530 -5.070 2.844 3.358 1.00 1.72 H new ATOM 0 HD3 LYS A 530 -6.554 3.690 3.749 1.00 1.72 H new ATOM 0 HE2 LYS A 530 -4.495 2.721 5.771 1.00 2.36 H new ATOM 0 HE3 LYS A 530 -4.667 4.373 5.211 1.00 2.36 H new ATOM 0 HZ1 LYS A 530 -5.825 4.273 7.219 1.00 2.78 H new ATOM 0 HZ2 LYS A 530 -7.046 4.213 6.040 1.00 2.78 H new ATOM 0 HZ3 LYS A 530 -6.570 2.794 6.843 1.00 2.78 H new ATOM 329 N GLU A 531 -5.757 -1.317 1.881 1.00 0.21 N ATOM 330 CA GLU A 531 -4.877 -2.468 2.031 1.00 0.26 C ATOM 331 C GLU A 531 -3.748 -2.429 1.011 1.00 0.23 C ATOM 332 O GLU A 531 -2.594 -2.696 1.347 1.00 0.26 O ATOM 333 CB GLU A 531 -5.655 -3.775 1.901 1.00 0.37 C ATOM 334 CG GLU A 531 -6.631 -4.004 3.040 1.00 0.50 C ATOM 335 CD GLU A 531 -7.102 -5.438 3.122 1.00 0.68 C ATOM 336 OE1 GLU A 531 -8.006 -5.822 2.354 1.00 0.98 O ATOM 337 OE2 GLU A 531 -6.556 -6.194 3.951 1.00 1.00 O ATOM 0 H GLU A 531 -6.719 -1.549 1.636 1.00 0.21 H new ATOM 0 HA GLU A 531 -4.444 -2.421 3.030 1.00 0.26 H new ATOM 0 HB2 GLU A 531 -6.201 -3.773 0.958 1.00 0.37 H new ATOM 0 HB3 GLU A 531 -4.952 -4.607 1.861 1.00 0.37 H new ATOM 0 HG2 GLU A 531 -6.157 -3.727 3.981 1.00 0.50 H new ATOM 0 HG3 GLU A 531 -7.493 -3.349 2.912 1.00 0.50 H new ATOM 344 N GLN A 532 -4.079 -2.087 -0.228 1.00 0.23 N ATOM 345 CA GLN A 532 -3.073 -1.945 -1.271 1.00 0.32 C ATOM 346 C GLN A 532 -2.086 -0.841 -0.918 1.00 0.33 C ATOM 347 O GLN A 532 -0.903 -0.934 -1.228 1.00 0.41 O ATOM 348 CB GLN A 532 -3.717 -1.640 -2.620 1.00 0.40 C ATOM 349 CG GLN A 532 -4.533 -2.785 -3.191 1.00 0.97 C ATOM 350 CD GLN A 532 -5.025 -2.491 -4.595 1.00 1.51 C ATOM 351 OE1 GLN A 532 -4.379 -1.760 -5.350 1.00 2.20 O ATOM 352 NE2 GLN A 532 -6.167 -3.052 -4.956 1.00 2.06 N ATOM 0 H GLN A 532 -5.035 -1.903 -0.534 1.00 0.23 H new ATOM 0 HA GLN A 532 -2.541 -2.893 -1.344 1.00 0.32 H new ATOM 0 HB2 GLN A 532 -4.361 -0.767 -2.514 1.00 0.40 H new ATOM 0 HB3 GLN A 532 -2.935 -1.375 -3.332 1.00 0.40 H new ATOM 0 HG2 GLN A 532 -3.927 -3.691 -3.202 1.00 0.97 H new ATOM 0 HG3 GLN A 532 -5.387 -2.980 -2.542 1.00 0.97 H new ATOM 0 HE21 GLN A 532 -6.671 -3.650 -4.301 1.00 2.06 H new ATOM 0 HE22 GLN A 532 -6.544 -2.886 -5.889 1.00 2.06 H new ATOM 361 N THR A 533 -2.576 0.196 -0.257 1.00 0.29 N ATOM 362 CA THR A 533 -1.736 1.320 0.126 1.00 0.36 C ATOM 363 C THR A 533 -0.762 0.924 1.233 1.00 0.35 C ATOM 364 O THR A 533 0.437 1.178 1.128 1.00 0.41 O ATOM 365 CB THR A 533 -2.582 2.520 0.592 1.00 0.41 C ATOM 366 OG1 THR A 533 -3.567 2.839 -0.403 1.00 0.45 O ATOM 367 CG2 THR A 533 -1.701 3.737 0.845 1.00 0.53 C ATOM 0 H THR A 533 -3.552 0.283 0.026 1.00 0.29 H new ATOM 0 HA THR A 533 -1.170 1.613 -0.759 1.00 0.36 H new ATOM 0 HB THR A 533 -3.078 2.248 1.524 1.00 0.41 H new ATOM 0 HG1 THR A 533 -4.332 2.234 -0.312 1.00 0.45 H new ATOM 0 HG21 THR A 533 -2.320 4.572 1.173 1.00 0.53 H new ATOM 0 HG22 THR A 533 -0.969 3.502 1.618 1.00 0.53 H new ATOM 0 HG23 THR A 533 -1.183 4.009 -0.075 1.00 0.53 H new ATOM 375 N VAL A 534 -1.271 0.272 2.277 1.00 0.29 N ATOM 376 CA VAL A 534 -0.446 -0.071 3.434 1.00 0.32 C ATOM 377 C VAL A 534 0.664 -1.059 3.071 1.00 0.32 C ATOM 378 O VAL A 534 1.789 -0.936 3.551 1.00 0.35 O ATOM 379 CB VAL A 534 -1.284 -0.616 4.616 1.00 0.32 C ATOM 380 CG1 VAL A 534 -2.233 0.459 5.129 1.00 0.36 C ATOM 381 CG2 VAL A 534 -2.063 -1.858 4.217 1.00 0.28 C ATOM 0 H VAL A 534 -2.244 -0.028 2.346 1.00 0.29 H new ATOM 0 HA VAL A 534 0.018 0.861 3.758 1.00 0.32 H new ATOM 0 HB VAL A 534 -0.596 -0.894 5.414 1.00 0.32 H new ATOM 0 HG11 VAL A 534 -2.816 0.063 5.960 1.00 0.36 H new ATOM 0 HG12 VAL A 534 -1.658 1.321 5.468 1.00 0.36 H new ATOM 0 HG13 VAL A 534 -2.905 0.764 4.327 1.00 0.36 H new ATOM 0 HG21 VAL A 534 -2.640 -2.215 5.070 1.00 0.28 H new ATOM 0 HG22 VAL A 534 -2.739 -1.616 3.397 1.00 0.28 H new ATOM 0 HG23 VAL A 534 -1.369 -2.636 3.898 1.00 0.28 H new ATOM 391 N GLU A 535 0.367 -2.032 2.223 1.00 0.29 N ATOM 392 CA GLU A 535 1.390 -2.965 1.782 1.00 0.32 C ATOM 393 C GLU A 535 2.345 -2.294 0.795 1.00 0.36 C ATOM 394 O GLU A 535 3.532 -2.609 0.766 1.00 0.39 O ATOM 395 CB GLU A 535 0.764 -4.220 1.177 1.00 0.34 C ATOM 396 CG GLU A 535 -0.158 -3.950 0.007 1.00 0.36 C ATOM 397 CD GLU A 535 -0.727 -5.223 -0.583 1.00 0.54 C ATOM 398 OE1 GLU A 535 -1.675 -5.783 0.008 1.00 0.81 O ATOM 399 OE2 GLU A 535 -0.219 -5.680 -1.630 1.00 0.69 O ATOM 0 H GLU A 535 -0.561 -2.194 1.832 1.00 0.29 H new ATOM 0 HA GLU A 535 1.968 -3.271 2.654 1.00 0.32 H new ATOM 0 HB2 GLU A 535 1.560 -4.889 0.851 1.00 0.34 H new ATOM 0 HB3 GLU A 535 0.205 -4.744 1.952 1.00 0.34 H new ATOM 0 HG2 GLU A 535 -0.975 -3.306 0.333 1.00 0.36 H new ATOM 0 HG3 GLU A 535 0.388 -3.407 -0.765 1.00 0.36 H new ATOM 406 N ARG A 536 1.824 -1.357 0.006 1.00 0.38 N ATOM 407 CA ARG A 536 2.638 -0.626 -0.962 1.00 0.44 C ATOM 408 C ARG A 536 3.631 0.297 -0.261 1.00 0.46 C ATOM 409 O ARG A 536 4.805 0.336 -0.626 1.00 0.49 O ATOM 410 CB ARG A 536 1.739 0.152 -1.932 1.00 0.49 C ATOM 411 CG ARG A 536 2.476 1.137 -2.829 1.00 0.59 C ATOM 412 CD ARG A 536 2.439 2.547 -2.259 1.00 0.65 C ATOM 413 NE ARG A 536 1.107 3.149 -2.356 1.00 0.70 N ATOM 414 CZ ARG A 536 0.802 4.359 -1.880 1.00 0.93 C ATOM 415 NH1 ARG A 536 1.728 5.088 -1.268 1.00 1.38 N ATOM 416 NH2 ARG A 536 -0.425 4.842 -2.026 1.00 0.94 N ATOM 0 H ARG A 536 0.841 -1.086 0.018 1.00 0.38 H new ATOM 0 HA ARG A 536 3.218 -1.346 -1.539 1.00 0.44 H new ATOM 0 HB2 ARG A 536 1.203 -0.560 -2.560 1.00 0.49 H new ATOM 0 HB3 ARG A 536 0.990 0.696 -1.356 1.00 0.49 H new ATOM 0 HG2 ARG A 536 3.512 0.818 -2.947 1.00 0.59 H new ATOM 0 HG3 ARG A 536 2.026 1.133 -3.822 1.00 0.59 H new ATOM 0 HD2 ARG A 536 2.750 2.523 -1.214 1.00 0.65 H new ATOM 0 HD3 ARG A 536 3.157 3.171 -2.791 1.00 0.65 H new ATOM 0 HE ARG A 536 0.370 2.613 -2.814 1.00 0.70 H new ATOM 0 HH11 ARG A 536 2.675 4.724 -1.161 1.00 1.38 H new ATOM 0 HH12 ARG A 536 1.492 6.012 -0.905 1.00 1.38 H new ATOM 0 HH21 ARG A 536 -1.137 4.289 -2.502 1.00 0.94 H new ATOM 0 HH22 ARG A 536 -0.656 5.766 -1.662 1.00 0.94 H new ATOM 430 N VAL A 537 3.171 1.033 0.746 1.00 0.45 N ATOM 431 CA VAL A 537 4.070 1.900 1.513 1.00 0.49 C ATOM 432 C VAL A 537 5.129 1.060 2.216 1.00 0.45 C ATOM 433 O VAL A 537 6.300 1.431 2.273 1.00 0.48 O ATOM 434 CB VAL A 537 3.321 2.777 2.546 1.00 0.51 C ATOM 435 CG1 VAL A 537 2.309 3.662 1.848 1.00 0.55 C ATOM 436 CG2 VAL A 537 2.636 1.934 3.608 1.00 0.47 C ATOM 0 H VAL A 537 2.197 1.050 1.050 1.00 0.45 H new ATOM 0 HA VAL A 537 4.542 2.577 0.802 1.00 0.49 H new ATOM 0 HB VAL A 537 4.061 3.403 3.045 1.00 0.51 H new ATOM 0 HG11 VAL A 537 1.790 4.273 2.586 1.00 0.55 H new ATOM 0 HG12 VAL A 537 2.821 4.310 1.137 1.00 0.55 H new ATOM 0 HG13 VAL A 537 1.587 3.041 1.318 1.00 0.55 H new ATOM 0 HG21 VAL A 537 2.122 2.586 4.314 1.00 0.47 H new ATOM 0 HG22 VAL A 537 1.913 1.269 3.135 1.00 0.47 H new ATOM 0 HG23 VAL A 537 3.381 1.341 4.138 1.00 0.47 H new ATOM 446 N THR A 538 4.704 -0.083 2.731 1.00 0.40 N ATOM 447 CA THR A 538 5.602 -1.036 3.354 1.00 0.38 C ATOM 448 C THR A 538 6.606 -1.582 2.332 1.00 0.36 C ATOM 449 O THR A 538 7.778 -1.790 2.644 1.00 0.34 O ATOM 450 CB THR A 538 4.798 -2.186 3.985 1.00 0.35 C ATOM 451 OG1 THR A 538 3.878 -1.660 4.950 1.00 0.36 O ATOM 452 CG2 THR A 538 5.712 -3.197 4.647 1.00 0.36 C ATOM 0 H THR A 538 3.726 -0.374 2.728 1.00 0.40 H new ATOM 0 HA THR A 538 6.159 -0.525 4.139 1.00 0.38 H new ATOM 0 HB THR A 538 4.249 -2.693 3.191 1.00 0.35 H new ATOM 0 HG1 THR A 538 3.056 -1.378 4.498 1.00 0.36 H new ATOM 0 HG21 THR A 538 5.114 -3.997 5.083 1.00 0.36 H new ATOM 0 HG22 THR A 538 6.391 -3.615 3.904 1.00 0.36 H new ATOM 0 HG23 THR A 538 6.290 -2.707 5.431 1.00 0.36 H new ATOM 460 N LEU A 539 6.141 -1.792 1.107 1.00 0.37 N ATOM 461 CA LEU A 539 6.995 -2.240 0.025 1.00 0.37 C ATOM 462 C LEU A 539 8.027 -1.160 -0.290 1.00 0.38 C ATOM 463 O LEU A 539 9.208 -1.447 -0.453 1.00 0.35 O ATOM 464 CB LEU A 539 6.115 -2.587 -1.191 1.00 0.42 C ATOM 465 CG LEU A 539 6.821 -2.925 -2.512 1.00 0.47 C ATOM 466 CD1 LEU A 539 7.248 -1.658 -3.232 1.00 0.52 C ATOM 467 CD2 LEU A 539 8.015 -3.840 -2.276 1.00 0.44 C ATOM 0 H LEU A 539 5.166 -1.656 0.841 1.00 0.37 H new ATOM 0 HA LEU A 539 7.545 -3.138 0.308 1.00 0.37 H new ATOM 0 HB2 LEU A 539 5.488 -3.436 -0.919 1.00 0.42 H new ATOM 0 HB3 LEU A 539 5.448 -1.744 -1.374 1.00 0.42 H new ATOM 0 HG LEU A 539 6.111 -3.456 -3.146 1.00 0.47 H new ATOM 0 HD11 LEU A 539 7.746 -1.920 -4.165 1.00 0.52 H new ATOM 0 HD12 LEU A 539 6.370 -1.049 -3.448 1.00 0.52 H new ATOM 0 HD13 LEU A 539 7.934 -1.094 -2.600 1.00 0.52 H new ATOM 0 HD21 LEU A 539 8.496 -4.063 -3.228 1.00 0.44 H new ATOM 0 HD22 LEU A 539 8.728 -3.345 -1.616 1.00 0.44 H new ATOM 0 HD23 LEU A 539 7.677 -4.768 -1.814 1.00 0.44 H new ATOM 479 N GLN A 540 7.571 0.084 -0.354 1.00 0.43 N ATOM 480 CA GLN A 540 8.463 1.217 -0.569 1.00 0.45 C ATOM 481 C GLN A 540 9.434 1.360 0.595 1.00 0.35 C ATOM 482 O GLN A 540 10.572 1.781 0.413 1.00 0.30 O ATOM 483 CB GLN A 540 7.659 2.504 -0.750 1.00 0.58 C ATOM 484 CG GLN A 540 6.736 2.486 -1.961 1.00 0.69 C ATOM 485 CD GLN A 540 7.463 2.678 -3.289 1.00 0.73 C ATOM 486 OE1 GLN A 540 8.717 2.252 -3.376 1.00 1.05 O flip ATOM 487 NE2 GLN A 540 6.895 3.216 -4.237 1.00 1.55 N flip ATOM 0 H GLN A 540 6.587 0.335 -0.260 1.00 0.43 H new ATOM 0 HA GLN A 540 9.036 1.035 -1.478 1.00 0.45 H new ATOM 0 HB2 GLN A 540 7.064 2.679 0.146 1.00 0.58 H new ATOM 0 HB3 GLN A 540 8.349 3.343 -0.843 1.00 0.58 H new ATOM 0 HG2 GLN A 540 6.200 1.537 -1.984 1.00 0.69 H new ATOM 0 HG3 GLN A 540 5.989 3.272 -1.849 1.00 0.69 H new ATOM 0 HE21 GLN A 540 5.930 3.533 -4.140 1.00 1.55 H new ATOM 0 HE22 GLN A 540 7.388 3.345 -5.120 1.00 1.55 H new ATOM 496 N ASN A 541 8.968 1.008 1.786 1.00 0.37 N ATOM 497 CA ASN A 541 9.813 0.986 2.979 1.00 0.34 C ATOM 498 C ASN A 541 10.916 -0.056 2.821 1.00 0.25 C ATOM 499 O ASN A 541 12.080 0.195 3.135 1.00 0.25 O ATOM 500 CB ASN A 541 8.966 0.667 4.216 1.00 0.42 C ATOM 501 CG ASN A 541 9.775 0.661 5.499 1.00 0.49 C ATOM 502 OD1 ASN A 541 10.348 -0.360 5.882 1.00 1.08 O ATOM 503 ND2 ASN A 541 9.816 1.792 6.180 1.00 1.21 N ATOM 0 H ASN A 541 8.001 0.731 1.955 1.00 0.37 H new ATOM 0 HA ASN A 541 10.270 1.968 3.105 1.00 0.34 H new ATOM 0 HB2 ASN A 541 8.165 1.401 4.301 1.00 0.42 H new ATOM 0 HB3 ASN A 541 8.494 -0.307 4.086 1.00 0.42 H new ATOM 0 HD21 ASN A 541 10.336 1.841 7.056 1.00 1.21 H new ATOM 0 HD22 ASN A 541 9.328 2.616 5.829 1.00 1.21 H new ATOM 510 N GLN A 542 10.540 -1.228 2.330 1.00 0.22 N ATOM 511 CA GLN A 542 11.502 -2.287 2.063 1.00 0.21 C ATOM 512 C GLN A 542 12.423 -1.887 0.918 1.00 0.18 C ATOM 513 O GLN A 542 13.618 -2.163 0.946 1.00 0.24 O ATOM 514 CB GLN A 542 10.783 -3.595 1.730 1.00 0.27 C ATOM 515 CG GLN A 542 9.888 -4.091 2.853 1.00 0.33 C ATOM 516 CD GLN A 542 9.284 -5.447 2.564 1.00 1.18 C ATOM 517 OE1 GLN A 542 9.878 -6.480 2.871 1.00 1.94 O ATOM 518 NE2 GLN A 542 8.089 -5.458 1.995 1.00 1.98 N ATOM 0 H GLN A 542 9.574 -1.470 2.108 1.00 0.22 H new ATOM 0 HA GLN A 542 12.102 -2.441 2.960 1.00 0.21 H new ATOM 0 HB2 GLN A 542 10.182 -3.453 0.832 1.00 0.27 H new ATOM 0 HB3 GLN A 542 11.524 -4.361 1.500 1.00 0.27 H new ATOM 0 HG2 GLN A 542 10.466 -4.145 3.776 1.00 0.33 H new ATOM 0 HG3 GLN A 542 9.088 -3.370 3.020 1.00 0.33 H new ATOM 0 HE21 GLN A 542 7.630 -4.579 1.756 1.00 1.98 H new ATOM 0 HE22 GLN A 542 7.627 -6.345 1.796 1.00 1.98 H new ATOM 527 N LEU A 543 11.854 -1.218 -0.078 1.00 0.19 N ATOM 528 CA LEU A 543 12.622 -0.740 -1.221 1.00 0.23 C ATOM 529 C LEU A 543 13.587 0.358 -0.785 1.00 0.16 C ATOM 530 O LEU A 543 14.676 0.486 -1.330 1.00 0.24 O ATOM 531 CB LEU A 543 11.682 -0.235 -2.323 1.00 0.34 C ATOM 532 CG LEU A 543 12.342 0.054 -3.677 1.00 0.46 C ATOM 533 CD1 LEU A 543 11.340 -0.147 -4.803 1.00 0.61 C ATOM 534 CD2 LEU A 543 12.899 1.471 -3.727 1.00 0.43 C ATOM 0 H LEU A 543 10.860 -0.994 -0.117 1.00 0.19 H new ATOM 0 HA LEU A 543 13.204 -1.568 -1.625 1.00 0.23 H new ATOM 0 HB2 LEU A 543 10.896 -0.976 -2.473 1.00 0.34 H new ATOM 0 HB3 LEU A 543 11.198 0.677 -1.973 1.00 0.34 H new ATOM 0 HG LEU A 543 13.170 -0.644 -3.802 1.00 0.46 H new ATOM 0 HD11 LEU A 543 11.820 0.061 -5.759 1.00 0.61 H new ATOM 0 HD12 LEU A 543 10.983 -1.177 -4.793 1.00 0.61 H new ATOM 0 HD13 LEU A 543 10.497 0.530 -4.665 1.00 0.61 H new ATOM 0 HD21 LEU A 543 13.361 1.646 -4.699 1.00 0.43 H new ATOM 0 HD22 LEU A 543 12.090 2.186 -3.575 1.00 0.43 H new ATOM 0 HD23 LEU A 543 13.646 1.596 -2.943 1.00 0.43 H new ATOM 546 N GLN A 544 13.179 1.143 0.203 1.00 0.11 N ATOM 547 CA GLN A 544 14.044 2.152 0.789 1.00 0.20 C ATOM 548 C GLN A 544 15.272 1.485 1.394 1.00 0.29 C ATOM 549 O GLN A 544 16.401 1.927 1.192 1.00 0.37 O ATOM 550 CB GLN A 544 13.278 2.948 1.847 1.00 0.32 C ATOM 551 CG GLN A 544 14.157 3.843 2.693 1.00 0.49 C ATOM 552 CD GLN A 544 13.371 4.653 3.699 1.00 0.78 C ATOM 553 OE1 GLN A 544 12.315 4.229 4.170 1.00 1.34 O ATOM 554 NE2 GLN A 544 13.881 5.823 4.042 1.00 1.64 N ATOM 0 H GLN A 544 12.248 1.098 0.616 1.00 0.11 H new ATOM 0 HA GLN A 544 14.372 2.844 0.014 1.00 0.20 H new ATOM 0 HB2 GLN A 544 12.523 3.559 1.352 1.00 0.32 H new ATOM 0 HB3 GLN A 544 12.749 2.253 2.499 1.00 0.32 H new ATOM 0 HG2 GLN A 544 14.891 3.232 3.219 1.00 0.49 H new ATOM 0 HG3 GLN A 544 14.712 4.519 2.043 1.00 0.49 H new ATOM 0 HE21 GLN A 544 14.759 6.138 3.628 1.00 1.64 H new ATOM 0 HE22 GLN A 544 13.397 6.411 4.720 1.00 1.64 H new ATOM 563 N GLN A 545 15.035 0.400 2.120 1.00 0.33 N ATOM 564 CA GLN A 545 16.115 -0.405 2.670 1.00 0.47 C ATOM 565 C GLN A 545 16.940 -1.021 1.543 1.00 0.50 C ATOM 566 O GLN A 545 18.163 -1.106 1.632 1.00 0.63 O ATOM 567 CB GLN A 545 15.544 -1.498 3.572 1.00 0.53 C ATOM 568 CG GLN A 545 14.909 -0.965 4.844 1.00 1.16 C ATOM 569 CD GLN A 545 14.043 -1.995 5.539 1.00 1.53 C ATOM 570 OE1 GLN A 545 14.523 -2.788 6.351 1.00 1.91 O ATOM 571 NE2 GLN A 545 12.756 -1.980 5.238 1.00 2.20 N ATOM 0 H GLN A 545 14.100 0.057 2.342 1.00 0.33 H new ATOM 0 HA GLN A 545 16.766 0.235 3.265 1.00 0.47 H new ATOM 0 HB2 GLN A 545 14.799 -2.066 3.014 1.00 0.53 H new ATOM 0 HB3 GLN A 545 16.341 -2.192 3.837 1.00 0.53 H new ATOM 0 HG2 GLN A 545 15.693 -0.635 5.526 1.00 1.16 H new ATOM 0 HG3 GLN A 545 14.305 -0.090 4.605 1.00 1.16 H new ATOM 0 HE21 GLN A 545 12.399 -1.307 4.560 1.00 2.20 H new ATOM 0 HE22 GLN A 545 12.120 -2.641 5.684 1.00 2.20 H new ATOM 580 N PHE A 546 16.256 -1.429 0.481 1.00 0.42 N ATOM 581 CA PHE A 546 16.902 -2.011 -0.686 1.00 0.53 C ATOM 582 C PHE A 546 17.825 -1.000 -1.370 1.00 0.61 C ATOM 583 O PHE A 546 18.997 -1.289 -1.607 1.00 0.77 O ATOM 584 CB PHE A 546 15.824 -2.535 -1.654 1.00 0.54 C ATOM 585 CG PHE A 546 16.185 -2.470 -3.115 1.00 0.68 C ATOM 586 CD1 PHE A 546 17.044 -3.397 -3.683 1.00 1.26 C ATOM 587 CD2 PHE A 546 15.654 -1.474 -3.919 1.00 0.93 C ATOM 588 CE1 PHE A 546 17.361 -3.333 -5.028 1.00 1.38 C ATOM 589 CE2 PHE A 546 15.967 -1.404 -5.260 1.00 1.03 C ATOM 590 CZ PHE A 546 16.825 -2.332 -5.815 1.00 0.99 C ATOM 0 H PHE A 546 15.241 -1.365 0.406 1.00 0.42 H new ATOM 0 HA PHE A 546 17.528 -2.845 -0.369 1.00 0.53 H new ATOM 0 HB2 PHE A 546 15.601 -3.571 -1.397 1.00 0.54 H new ATOM 0 HB3 PHE A 546 14.909 -1.964 -1.497 1.00 0.54 H new ATOM 0 HD1 PHE A 546 17.470 -4.177 -3.070 1.00 1.26 H new ATOM 0 HD2 PHE A 546 14.986 -0.742 -3.489 1.00 0.93 H new ATOM 0 HE1 PHE A 546 18.026 -4.064 -5.462 1.00 1.38 H new ATOM 0 HE2 PHE A 546 15.542 -0.625 -5.875 1.00 1.03 H new ATOM 0 HZ PHE A 546 17.077 -2.276 -6.864 1.00 0.99 H new ATOM 600 N LEU A 547 17.307 0.188 -1.665 1.00 0.53 N ATOM 601 CA LEU A 547 18.084 1.199 -2.361 1.00 0.64 C ATOM 602 C LEU A 547 19.259 1.661 -1.509 1.00 0.74 C ATOM 603 O LEU A 547 20.361 1.851 -2.015 1.00 0.89 O ATOM 604 CB LEU A 547 17.192 2.378 -2.789 1.00 0.59 C ATOM 605 CG LEU A 547 16.688 3.316 -1.683 1.00 0.50 C ATOM 606 CD1 LEU A 547 17.672 4.456 -1.446 1.00 0.66 C ATOM 607 CD2 LEU A 547 15.315 3.866 -2.041 1.00 0.46 C ATOM 0 H LEU A 547 16.355 0.471 -1.432 1.00 0.53 H new ATOM 0 HA LEU A 547 18.493 0.754 -3.268 1.00 0.64 H new ATOM 0 HB2 LEU A 547 17.747 2.976 -3.512 1.00 0.59 H new ATOM 0 HB3 LEU A 547 16.324 1.973 -3.310 1.00 0.59 H new ATOM 0 HG LEU A 547 16.606 2.741 -0.760 1.00 0.50 H new ATOM 0 HD11 LEU A 547 17.292 5.106 -0.658 1.00 0.66 H new ATOM 0 HD12 LEU A 547 18.637 4.047 -1.146 1.00 0.66 H new ATOM 0 HD13 LEU A 547 17.791 5.030 -2.365 1.00 0.66 H new ATOM 0 HD21 LEU A 547 14.971 4.529 -1.248 1.00 0.46 H new ATOM 0 HD22 LEU A 547 15.378 4.422 -2.977 1.00 0.46 H new ATOM 0 HD23 LEU A 547 14.611 3.041 -2.156 1.00 0.46 H new ATOM 619 N GLU A 548 19.019 1.827 -0.215 1.00 0.69 N ATOM 620 CA GLU A 548 20.075 2.210 0.710 1.00 0.85 C ATOM 621 C GLU A 548 21.154 1.137 0.784 1.00 0.97 C ATOM 622 O GLU A 548 22.340 1.448 0.886 1.00 1.12 O ATOM 623 CB GLU A 548 19.513 2.493 2.102 1.00 0.87 C ATOM 624 CG GLU A 548 18.811 3.837 2.211 1.00 0.88 C ATOM 625 CD GLU A 548 18.352 4.140 3.619 1.00 1.55 C ATOM 626 OE1 GLU A 548 19.147 3.954 4.563 1.00 1.98 O ATOM 627 OE2 GLU A 548 17.194 4.576 3.791 1.00 2.23 O ATOM 0 H GLU A 548 18.103 1.702 0.217 1.00 0.69 H new ATOM 0 HA GLU A 548 20.527 3.127 0.330 1.00 0.85 H new ATOM 0 HB2 GLU A 548 18.811 1.703 2.369 1.00 0.87 H new ATOM 0 HB3 GLU A 548 20.326 2.457 2.828 1.00 0.87 H new ATOM 0 HG2 GLU A 548 19.487 4.624 1.876 1.00 0.88 H new ATOM 0 HG3 GLU A 548 17.951 3.849 1.542 1.00 0.88 H new ATOM 634 N ALA A 549 20.742 -0.124 0.726 1.00 0.93 N ATOM 635 CA ALA A 549 21.690 -1.227 0.667 1.00 1.09 C ATOM 636 C ALA A 549 22.552 -1.108 -0.586 1.00 1.20 C ATOM 637 O ALA A 549 23.775 -1.254 -0.528 1.00 1.35 O ATOM 638 CB ALA A 549 20.962 -2.565 0.691 1.00 1.06 C ATOM 0 H ALA A 549 19.762 -0.406 0.719 1.00 0.93 H new ATOM 0 HA ALA A 549 22.336 -1.178 1.543 1.00 1.09 H new ATOM 0 HB1 ALA A 549 21.689 -3.376 0.646 1.00 1.06 H new ATOM 0 HB2 ALA A 549 20.383 -2.648 1.611 1.00 1.06 H new ATOM 0 HB3 ALA A 549 20.292 -2.630 -0.167 1.00 1.06 H new ATOM 644 N GLN A 550 21.905 -0.814 -1.713 1.00 1.15 N ATOM 645 CA GLN A 550 22.610 -0.621 -2.974 1.00 1.31 C ATOM 646 C GLN A 550 23.571 0.553 -2.871 1.00 1.43 C ATOM 647 O GLN A 550 24.679 0.506 -3.399 1.00 1.65 O ATOM 648 CB GLN A 550 21.630 -0.378 -4.128 1.00 1.26 C ATOM 649 CG GLN A 550 20.581 -1.468 -4.288 1.00 1.20 C ATOM 650 CD GLN A 550 21.182 -2.860 -4.402 1.00 1.71 C ATOM 651 OE1 GLN A 550 22.372 -2.953 -4.975 1.00 2.38 O flip ATOM 652 NE2 GLN A 550 20.574 -3.845 -3.992 1.00 2.29 N flip ATOM 0 H GLN A 550 20.893 -0.705 -1.776 1.00 1.15 H new ATOM 0 HA GLN A 550 23.171 -1.533 -3.180 1.00 1.31 H new ATOM 0 HB2 GLN A 550 21.127 0.576 -3.969 1.00 1.26 H new ATOM 0 HB3 GLN A 550 22.193 -0.291 -5.057 1.00 1.26 H new ATOM 0 HG2 GLN A 550 19.903 -1.440 -3.435 1.00 1.20 H new ATOM 0 HG3 GLN A 550 19.984 -1.262 -5.177 1.00 1.20 H new ATOM 0 HE21 GLN A 550 19.659 -3.734 -3.556 1.00 2.29 H new ATOM 0 HE22 GLN A 550 20.984 -4.774 -4.088 1.00 2.29 H new ATOM 661 N LYS A 551 23.131 1.607 -2.193 1.00 1.33 N ATOM 662 CA LYS A 551 23.970 2.772 -1.957 1.00 1.50 C ATOM 663 C LYS A 551 25.216 2.378 -1.184 1.00 1.72 C ATOM 664 O LYS A 551 26.328 2.592 -1.646 1.00 2.01 O ATOM 665 CB LYS A 551 23.209 3.851 -1.177 1.00 1.43 C ATOM 666 CG LYS A 551 22.005 4.430 -1.905 1.00 1.36 C ATOM 667 CD LYS A 551 22.406 5.103 -3.209 1.00 1.66 C ATOM 668 CE LYS A 551 21.240 5.852 -3.835 1.00 1.93 C ATOM 669 NZ LYS A 551 20.835 7.023 -3.016 1.00 2.36 N ATOM 0 H LYS A 551 22.194 1.677 -1.796 1.00 1.33 H new ATOM 0 HA LYS A 551 24.256 3.177 -2.928 1.00 1.50 H new ATOM 0 HB2 LYS A 551 22.875 3.428 -0.230 1.00 1.43 H new ATOM 0 HB3 LYS A 551 23.897 4.662 -0.939 1.00 1.43 H new ATOM 0 HG2 LYS A 551 21.288 3.636 -2.111 1.00 1.36 H new ATOM 0 HG3 LYS A 551 21.504 5.153 -1.261 1.00 1.36 H new ATOM 0 HD2 LYS A 551 23.227 5.796 -3.024 1.00 1.66 H new ATOM 0 HD3 LYS A 551 22.774 4.352 -3.908 1.00 1.66 H new ATOM 0 HE2 LYS A 551 21.517 6.186 -4.835 1.00 1.93 H new ATOM 0 HE3 LYS A 551 20.392 5.176 -3.948 1.00 1.93 H new ATOM 0 HZ1 LYS A 551 20.252 7.664 -3.591 1.00 2.36 H new ATOM 0 HZ2 LYS A 551 20.285 6.699 -2.195 1.00 2.36 H new ATOM 0 HZ3 LYS A 551 21.683 7.527 -2.688 1.00 2.36 H new ATOM 683 N SER A 552 25.018 1.779 -0.020 1.00 1.61 N ATOM 684 CA SER A 552 26.119 1.437 0.867 1.00 1.82 C ATOM 685 C SER A 552 27.118 0.495 0.196 1.00 1.95 C ATOM 686 O SER A 552 28.331 0.708 0.282 1.00 2.23 O ATOM 687 CB SER A 552 25.577 0.795 2.139 1.00 1.69 C ATOM 688 OG SER A 552 24.556 1.590 2.719 1.00 1.76 O ATOM 0 H SER A 552 24.098 1.518 0.334 1.00 1.61 H new ATOM 0 HA SER A 552 26.646 2.359 1.113 1.00 1.82 H new ATOM 0 HB2 SER A 552 25.185 -0.196 1.911 1.00 1.69 H new ATOM 0 HB3 SER A 552 26.387 0.660 2.855 1.00 1.69 H new ATOM 0 HG SER A 552 23.719 1.459 2.226 1.00 1.76 H new ATOM 694 N GLU A 553 26.610 -0.529 -0.478 1.00 1.81 N ATOM 695 CA GLU A 553 27.472 -1.510 -1.125 1.00 2.00 C ATOM 696 C GLU A 553 28.127 -0.924 -2.371 1.00 2.25 C ATOM 697 O GLU A 553 29.300 -1.172 -2.642 1.00 2.55 O ATOM 698 CB GLU A 553 26.674 -2.764 -1.478 1.00 1.88 C ATOM 699 CG GLU A 553 26.123 -3.481 -0.258 1.00 1.75 C ATOM 700 CD GLU A 553 27.209 -4.047 0.636 1.00 1.97 C ATOM 701 OE1 GLU A 553 27.769 -3.294 1.465 1.00 2.46 O ATOM 702 OE2 GLU A 553 27.495 -5.257 0.534 1.00 1.91 O ATOM 0 H GLU A 553 25.611 -0.702 -0.591 1.00 1.81 H new ATOM 0 HA GLU A 553 28.263 -1.783 -0.427 1.00 2.00 H new ATOM 0 HB2 GLU A 553 25.848 -2.489 -2.135 1.00 1.88 H new ATOM 0 HB3 GLU A 553 27.312 -3.448 -2.037 1.00 1.88 H new ATOM 0 HG2 GLU A 553 25.510 -2.788 0.318 1.00 1.75 H new ATOM 0 HG3 GLU A 553 25.469 -4.290 -0.583 1.00 1.75 H new ATOM 709 N GLY A 554 27.365 -0.132 -3.114 1.00 2.16 N ATOM 710 CA GLY A 554 27.877 0.468 -4.329 1.00 2.43 C ATOM 711 C GLY A 554 28.868 1.581 -4.056 1.00 2.68 C ATOM 712 O GLY A 554 29.830 1.758 -4.801 1.00 2.98 O ATOM 0 H GLY A 554 26.398 0.106 -2.895 1.00 2.16 H new ATOM 0 HA2 GLY A 554 28.357 -0.300 -4.935 1.00 2.43 H new ATOM 0 HA3 GLY A 554 27.046 0.862 -4.914 1.00 2.43 H new ATOM 716 N LYS A 555 28.636 2.328 -2.983 1.00 2.59 N ATOM 717 CA LYS A 555 29.523 3.426 -2.609 1.00 2.88 C ATOM 718 C LYS A 555 30.770 2.894 -1.905 1.00 3.09 C ATOM 719 O LYS A 555 31.723 3.632 -1.657 1.00 3.44 O ATOM 720 CB LYS A 555 28.790 4.425 -1.707 1.00 2.82 C ATOM 721 CG LYS A 555 28.714 4.024 -0.241 1.00 2.71 C ATOM 722 CD LYS A 555 27.962 5.069 0.570 1.00 2.71 C ATOM 723 CE LYS A 555 27.918 4.722 2.051 1.00 2.99 C ATOM 724 NZ LYS A 555 29.276 4.536 2.623 1.00 3.58 N ATOM 0 H LYS A 555 27.842 2.195 -2.356 1.00 2.59 H new ATOM 0 HA LYS A 555 29.832 3.940 -3.519 1.00 2.88 H new ATOM 0 HB2 LYS A 555 29.288 5.392 -1.779 1.00 2.82 H new ATOM 0 HB3 LYS A 555 27.777 4.559 -2.086 1.00 2.82 H new ATOM 0 HG2 LYS A 555 28.216 3.059 -0.149 1.00 2.71 H new ATOM 0 HG3 LYS A 555 29.720 3.902 0.159 1.00 2.71 H new ATOM 0 HD2 LYS A 555 28.439 6.040 0.440 1.00 2.71 H new ATOM 0 HD3 LYS A 555 26.945 5.160 0.189 1.00 2.71 H new ATOM 0 HE2 LYS A 555 27.402 5.515 2.593 1.00 2.99 H new ATOM 0 HE3 LYS A 555 27.338 3.810 2.192 1.00 2.99 H new ATOM 0 HZ1 LYS A 555 29.221 4.554 3.661 1.00 3.58 H new ATOM 0 HZ2 LYS A 555 29.661 3.621 2.313 1.00 3.58 H new ATOM 0 HZ3 LYS A 555 29.898 5.302 2.296 1.00 3.58 H new ATOM 738 N SER A 556 30.755 1.607 -1.585 1.00 2.91 N ATOM 739 CA SER A 556 31.889 0.971 -0.943 1.00 3.12 C ATOM 740 C SER A 556 32.964 0.664 -1.978 1.00 3.40 C ATOM 741 O SER A 556 33.032 -0.443 -2.515 1.00 3.67 O ATOM 742 CB SER A 556 31.445 -0.309 -0.228 1.00 2.84 C ATOM 743 OG SER A 556 32.497 -0.858 0.554 1.00 3.07 O ATOM 0 H SER A 556 29.966 0.985 -1.762 1.00 2.91 H new ATOM 0 HA SER A 556 32.305 1.650 -0.199 1.00 3.12 H new ATOM 0 HB2 SER A 556 30.589 -0.092 0.411 1.00 2.84 H new ATOM 0 HB3 SER A 556 31.115 -1.043 -0.964 1.00 2.84 H new ATOM 0 HG SER A 556 32.183 -1.673 0.999 1.00 3.07 H new ATOM 749 N LEU A 557 33.777 1.665 -2.274 1.00 3.70 N ATOM 750 CA LEU A 557 34.857 1.527 -3.234 1.00 4.05 C ATOM 751 C LEU A 557 35.811 2.703 -3.075 1.00 4.48 C ATOM 752 O LEU A 557 36.896 2.516 -2.491 1.00 4.98 O ATOM 753 CB LEU A 557 34.291 1.461 -4.663 1.00 4.73 C ATOM 754 CG LEU A 557 35.220 0.867 -5.732 1.00 5.04 C ATOM 755 CD1 LEU A 557 36.364 1.811 -6.070 1.00 5.74 C ATOM 756 CD2 LEU A 557 35.764 -0.478 -5.274 1.00 5.35 C ATOM 757 OXT LEU A 557 35.452 3.821 -3.496 1.00 4.73 O ATOM 0 H LEU A 557 33.706 2.593 -1.856 1.00 3.70 H new ATOM 0 HA LEU A 557 35.402 0.601 -3.051 1.00 4.05 H new ATOM 0 HB2 LEU A 557 33.373 0.873 -4.641 1.00 4.73 H new ATOM 0 HB3 LEU A 557 34.016 2.470 -4.970 1.00 4.73 H new ATOM 0 HG LEU A 557 34.630 0.723 -6.637 1.00 5.04 H new ATOM 0 HD11 LEU A 557 36.999 1.356 -6.830 1.00 5.74 H new ATOM 0 HD12 LEU A 557 35.961 2.750 -6.449 1.00 5.74 H new ATOM 0 HD13 LEU A 557 36.953 2.005 -5.173 1.00 5.74 H new ATOM 0 HD21 LEU A 557 36.421 -0.886 -6.043 1.00 5.35 H new ATOM 0 HD22 LEU A 557 36.326 -0.347 -4.349 1.00 5.35 H new ATOM 0 HD23 LEU A 557 34.936 -1.166 -5.102 1.00 5.35 H new TER 769 LEU A 557