USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 435 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 32 ASN : amide:sc= 0.972 K(o=2.1,f=-2.5) USER MOD Set 1.2: A 35 LYS NZ :NH3+ 179:sc= 1.14 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 178:sc= 1.26 (180deg=1.18) USER MOD Single : A 18 ASN : amide:sc= 0.812 K(o=0.81,f=-0.013) USER MOD Single : A 21 LYS NZ :NH3+ -155:sc= 0.922 (180deg=0.527) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -63:sc= 1.26 USER MOD Single : A 28 GLN : amide:sc= 0.683 K(o=0.68,f=-0.014) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0112 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -165:sc= -0.43 (180deg=-0.792) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0782 USER MOD Single : A 58 SER OG : rot 180:sc= 0.369 USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 -10.046 12.638 -5.458 1.00 0.00 N ATOM 35 CA LEU A 3 -8.843 12.870 -6.270 1.00 0.00 C ATOM 36 C LEU A 3 -9.021 12.502 -7.755 1.00 0.00 C ATOM 37 O LEU A 3 -9.972 11.822 -8.154 1.00 0.00 O ATOM 38 CB LEU A 3 -7.643 12.127 -5.650 1.00 0.00 C ATOM 39 CG LEU A 3 -7.173 12.680 -4.291 1.00 0.00 C ATOM 40 CD1 LEU A 3 -5.777 12.147 -3.966 1.00 0.00 C ATOM 41 CD2 LEU A 3 -7.072 14.203 -4.289 1.00 0.00 C ATOM 0 HA LEU A 3 -8.653 13.943 -6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.908 11.077 -5.527 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.809 12.165 -6.350 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.913 12.361 -3.557 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.451 12.542 -3.004 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.805 11.058 -3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.078 12.460 -4.742 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.737 14.544 -3.309 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.357 14.521 -5.048 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.049 14.633 -4.508 1.00 0.00 H new ATOM 52 N THR A 4 -8.080 12.979 -8.573 1.00 0.00 N ATOM 53 CA THR A 4 -8.041 12.753 -10.035 1.00 0.00 C ATOM 54 C THR A 4 -7.625 11.318 -10.398 1.00 0.00 C ATOM 55 O THR A 4 -7.540 10.437 -9.537 1.00 0.00 O ATOM 56 CB THR A 4 -7.129 13.771 -10.749 1.00 0.00 C ATOM 57 OG1 THR A 4 -5.798 13.612 -10.319 1.00 0.00 O ATOM 58 CG2 THR A 4 -7.561 15.220 -10.536 1.00 0.00 C ATOM 0 H THR A 4 -7.302 13.547 -8.238 1.00 0.00 H new ATOM 0 HA THR A 4 -9.062 12.900 -10.388 1.00 0.00 H new ATOM 0 HB THR A 4 -7.213 13.564 -11.816 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.226 14.261 -10.779 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.878 15.885 -11.065 1.00 0.00 H new ATOM 0 HG22 THR A 4 -8.572 15.359 -10.920 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.542 15.452 -9.471 1.00 0.00 H new ATOM 66 N GLN A 5 -7.346 11.072 -11.685 1.00 0.00 N ATOM 67 CA GLN A 5 -6.789 9.820 -12.214 1.00 0.00 C ATOM 68 C GLN A 5 -5.556 9.294 -11.457 1.00 0.00 C ATOM 69 O GLN A 5 -5.301 8.087 -11.470 1.00 0.00 O ATOM 70 CB GLN A 5 -6.480 9.996 -13.709 1.00 0.00 C ATOM 71 CG GLN A 5 -5.337 10.977 -14.029 1.00 0.00 C ATOM 72 CD GLN A 5 -5.100 11.085 -15.535 1.00 0.00 C ATOM 73 OE1 GLN A 5 -4.251 10.413 -16.107 1.00 0.00 O ATOM 74 NE2 GLN A 5 -5.826 11.935 -16.233 1.00 0.00 N ATOM 0 H GLN A 5 -7.508 11.766 -12.414 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.551 9.055 -12.066 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.230 9.022 -14.130 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -7.384 10.339 -14.213 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -5.576 11.961 -13.625 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.422 10.645 -13.538 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -6.536 12.501 -15.768 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.678 12.027 -17.238 1.00 0.00 H new ATOM 81 N GLY A 6 -4.805 10.172 -10.776 1.00 0.00 N ATOM 82 CA GLY A 6 -3.723 9.757 -9.899 1.00 0.00 C ATOM 83 C GLY A 6 -3.071 10.864 -9.077 1.00 0.00 C ATOM 84 O GLY A 6 -1.849 10.855 -8.967 1.00 0.00 O ATOM 0 H GLY A 6 -4.937 11.182 -10.823 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.106 9.000 -9.215 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.953 9.279 -10.505 1.00 0.00 H new ATOM 88 N GLU A 7 -3.819 11.785 -8.455 1.00 0.00 N ATOM 89 CA GLU A 7 -3.279 12.866 -7.625 1.00 0.00 C ATOM 90 C GLU A 7 -2.496 12.364 -6.397 1.00 0.00 C ATOM 91 O GLU A 7 -1.716 13.111 -5.820 1.00 0.00 O ATOM 92 CB GLU A 7 -4.421 13.818 -7.204 1.00 0.00 C ATOM 93 CG GLU A 7 -4.217 15.212 -7.799 1.00 0.00 C ATOM 94 CD GLU A 7 -5.210 16.259 -7.257 1.00 0.00 C ATOM 95 OE1 GLU A 7 -6.439 16.015 -7.273 1.00 0.00 O ATOM 96 OE2 GLU A 7 -4.764 17.356 -6.836 1.00 0.00 O ATOM 0 H GLU A 7 -4.837 11.798 -8.517 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.554 13.407 -8.234 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.378 13.413 -7.535 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.462 13.885 -6.117 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.200 15.543 -7.589 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.316 15.155 -8.883 1.00 0.00 H new ATOM 101 N LEU A 8 -2.631 11.087 -6.033 1.00 0.00 N ATOM 102 CA LEU A 8 -1.792 10.408 -5.037 1.00 0.00 C ATOM 103 C LEU A 8 -0.848 9.352 -5.666 1.00 0.00 C ATOM 104 O LEU A 8 0.164 8.975 -5.074 1.00 0.00 O ATOM 105 CB LEU A 8 -2.723 9.888 -3.922 1.00 0.00 C ATOM 106 CG LEU A 8 -3.565 8.641 -4.275 1.00 0.00 C ATOM 107 CD1 LEU A 8 -2.925 7.409 -3.628 1.00 0.00 C ATOM 108 CD2 LEU A 8 -5.014 8.692 -3.780 1.00 0.00 C ATOM 0 H LEU A 8 -3.345 10.478 -6.432 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.085 11.103 -4.585 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.116 9.657 -3.046 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.401 10.692 -3.637 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.584 8.601 -5.364 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.512 6.524 -3.872 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.910 7.286 -4.005 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.897 7.539 -2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.531 7.778 -4.072 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.024 8.784 -2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.519 9.551 -4.222 1.00 0.00 H new ATOM 119 N MET A 9 -1.122 8.922 -6.903 1.00 0.00 N ATOM 120 CA MET A 9 -0.398 7.870 -7.630 1.00 0.00 C ATOM 121 C MET A 9 0.965 8.361 -8.116 1.00 0.00 C ATOM 122 O MET A 9 2.003 7.826 -7.738 1.00 0.00 O ATOM 123 CB MET A 9 -1.290 7.300 -8.766 1.00 0.00 C ATOM 124 CG MET A 9 -0.630 7.117 -10.134 1.00 0.00 C ATOM 125 SD MET A 9 -1.618 6.213 -11.352 1.00 0.00 S ATOM 126 CE MET A 9 -0.418 6.134 -12.709 1.00 0.00 C ATOM 0 H MET A 9 -1.888 9.315 -7.450 1.00 0.00 H new ATOM 0 HA MET A 9 -0.183 7.047 -6.948 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.676 6.333 -8.443 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.148 7.961 -8.888 1.00 0.00 H new ATOM 0 HG2 MET A 9 -0.393 8.101 -10.540 1.00 0.00 H new ATOM 0 HG3 MET A 9 0.316 6.593 -9.996 1.00 0.00 H new ATOM 0 HE1 MET A 9 -0.859 5.605 -13.554 1.00 0.00 H new ATOM 0 HE2 MET A 9 -0.147 7.145 -13.014 1.00 0.00 H new ATOM 0 HE3 MET A 9 0.474 5.604 -12.375 1.00 0.00 H new ATOM 134 N LYS A 10 0.973 9.412 -8.934 1.00 0.00 N ATOM 135 CA LYS A 10 2.172 9.959 -9.592 1.00 0.00 C ATOM 136 C LYS A 10 3.053 10.795 -8.638 1.00 0.00 C ATOM 137 O LYS A 10 3.851 11.625 -9.078 1.00 0.00 O ATOM 138 CB LYS A 10 1.713 10.679 -10.882 1.00 0.00 C ATOM 139 CG LYS A 10 0.795 11.891 -10.641 1.00 0.00 C ATOM 140 CD LYS A 10 -0.254 12.111 -11.740 1.00 0.00 C ATOM 141 CE LYS A 10 -0.903 13.487 -11.558 1.00 0.00 C ATOM 142 NZ LYS A 10 -1.869 13.779 -12.647 1.00 0.00 N ATOM 0 H LYS A 10 0.124 9.926 -9.168 1.00 0.00 H new ATOM 0 HA LYS A 10 2.853 9.159 -9.882 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.594 11.010 -11.432 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.191 9.963 -11.517 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.284 11.762 -9.687 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.409 12.787 -10.555 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.213 12.045 -12.722 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.013 11.330 -11.695 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.414 13.525 -10.596 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.130 14.256 -11.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.291 14.717 -12.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.375 13.766 -13.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.619 13.058 -12.648 1.00 0.00 H new ATOM 152 N LEU A 11 2.865 10.592 -7.328 1.00 0.00 N ATOM 153 CA LEU A 11 3.382 11.340 -6.183 1.00 0.00 C ATOM 154 C LEU A 11 4.049 10.399 -5.185 1.00 0.00 C ATOM 155 O LEU A 11 5.121 10.732 -4.681 1.00 0.00 O ATOM 156 CB LEU A 11 2.248 12.088 -5.444 1.00 0.00 C ATOM 157 CG LEU A 11 1.590 13.287 -6.145 1.00 0.00 C ATOM 158 CD1 LEU A 11 2.628 14.339 -6.525 1.00 0.00 C ATOM 159 CD2 LEU A 11 0.839 12.873 -7.404 1.00 0.00 C ATOM 0 H LEU A 11 2.284 9.815 -7.015 1.00 0.00 H new ATOM 0 HA LEU A 11 4.105 12.058 -6.571 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.465 11.365 -5.217 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.646 12.437 -4.491 1.00 0.00 H new ATOM 0 HG LEU A 11 0.880 13.705 -5.431 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.134 15.176 -7.019 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.132 14.695 -5.626 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.361 13.899 -7.202 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.390 13.753 -7.866 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.532 12.409 -8.105 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.056 12.161 -7.143 1.00 0.00 H new ATOM 170 N ILE A 12 3.461 9.218 -4.918 1.00 0.00 N ATOM 171 CA ILE A 12 4.049 8.303 -3.924 1.00 0.00 C ATOM 172 C ILE A 12 5.454 7.864 -4.337 1.00 0.00 C ATOM 173 O ILE A 12 6.362 7.808 -3.509 1.00 0.00 O ATOM 174 CB ILE A 12 3.161 7.077 -3.637 1.00 0.00 C ATOM 175 CG1 ILE A 12 2.580 6.374 -4.886 1.00 0.00 C ATOM 176 CG2 ILE A 12 2.019 7.479 -2.699 1.00 0.00 C ATOM 177 CD1 ILE A 12 2.548 4.850 -4.686 1.00 0.00 C ATOM 0 H ILE A 12 2.606 8.883 -5.361 1.00 0.00 H new ATOM 0 HA ILE A 12 4.118 8.869 -2.995 1.00 0.00 H new ATOM 0 HB ILE A 12 3.822 6.345 -3.174 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.572 6.741 -5.081 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.183 6.618 -5.761 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.392 6.611 -2.497 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.432 7.854 -1.763 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.419 8.258 -3.169 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.136 4.375 -5.576 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.560 4.484 -4.515 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.925 4.609 -3.825 1.00 0.00 H new ATOM 188 N LYS A 13 5.670 7.641 -5.635 1.00 0.00 N ATOM 189 CA LYS A 13 6.979 7.226 -6.171 1.00 0.00 C ATOM 190 C LYS A 13 7.916 8.398 -6.486 1.00 0.00 C ATOM 191 O LYS A 13 9.118 8.218 -6.648 1.00 0.00 O ATOM 192 CB LYS A 13 6.762 6.271 -7.360 1.00 0.00 C ATOM 193 CG LYS A 13 5.812 6.745 -8.476 1.00 0.00 C ATOM 194 CD LYS A 13 6.336 7.830 -9.431 1.00 0.00 C ATOM 195 CE LYS A 13 7.660 7.448 -10.102 1.00 0.00 C ATOM 196 NZ LYS A 13 8.068 8.460 -11.107 1.00 0.00 N ATOM 0 H LYS A 13 4.947 7.741 -6.348 1.00 0.00 H new ATOM 0 HA LYS A 13 7.511 6.684 -5.389 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.733 6.063 -7.808 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.382 5.327 -6.970 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.532 5.877 -9.072 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.901 7.118 -8.008 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.587 8.022 -10.200 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.470 8.759 -8.878 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.438 7.350 -9.345 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.559 6.475 -10.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.984 8.190 -11.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.352 8.511 -11.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.155 9.389 -10.648 1.00 0.00 H new ATOM 206 N GLU A 14 7.381 9.609 -6.525 1.00 0.00 N ATOM 207 CA GLU A 14 8.046 10.830 -6.992 1.00 0.00 C ATOM 208 C GLU A 14 8.664 11.620 -5.832 1.00 0.00 C ATOM 209 O GLU A 14 9.596 12.399 -6.049 1.00 0.00 O ATOM 210 CB GLU A 14 7.022 11.684 -7.762 1.00 0.00 C ATOM 211 CG GLU A 14 7.632 12.782 -8.647 1.00 0.00 C ATOM 212 CD GLU A 14 8.577 12.243 -9.744 1.00 0.00 C ATOM 213 OE1 GLU A 14 8.379 11.104 -10.235 1.00 0.00 O ATOM 214 OE2 GLU A 14 9.523 12.970 -10.136 1.00 0.00 O ATOM 0 H GLU A 14 6.424 9.782 -6.218 1.00 0.00 H new ATOM 0 HA GLU A 14 8.869 10.557 -7.653 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.419 11.026 -8.388 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.346 12.149 -7.045 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.827 13.345 -9.118 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.183 13.480 -8.017 1.00 0.00 H new ATOM 219 N ILE A 15 8.202 11.374 -4.599 1.00 0.00 N ATOM 220 CA ILE A 15 8.816 11.859 -3.367 1.00 0.00 C ATOM 221 C ILE A 15 9.675 10.747 -2.763 1.00 0.00 C ATOM 222 O ILE A 15 10.831 10.993 -2.436 1.00 0.00 O ATOM 223 CB ILE A 15 7.765 12.423 -2.382 1.00 0.00 C ATOM 224 CG1 ILE A 15 6.824 11.345 -1.789 1.00 0.00 C ATOM 225 CG2 ILE A 15 6.946 13.541 -3.051 1.00 0.00 C ATOM 226 CD1 ILE A 15 7.248 10.952 -0.371 1.00 0.00 C ATOM 0 H ILE A 15 7.365 10.815 -4.432 1.00 0.00 H new ATOM 0 HA ILE A 15 9.469 12.702 -3.594 1.00 0.00 H new ATOM 0 HB ILE A 15 8.327 12.831 -1.542 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.801 11.721 -1.773 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.829 10.463 -2.430 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.211 13.927 -2.344 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.613 14.347 -3.357 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.433 13.142 -3.926 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.567 10.194 0.016 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.262 10.552 -0.392 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.218 11.830 0.274 1.00 0.00 H new ATOM 237 N VAL A 16 9.178 9.503 -2.667 1.00 0.00 N ATOM 238 CA VAL A 16 9.921 8.445 -1.974 1.00 0.00 C ATOM 239 C VAL A 16 11.217 8.102 -2.710 1.00 0.00 C ATOM 240 O VAL A 16 12.243 7.868 -2.065 1.00 0.00 O ATOM 241 CB VAL A 16 9.069 7.178 -1.767 1.00 0.00 C ATOM 242 CG1 VAL A 16 9.901 6.068 -1.123 1.00 0.00 C ATOM 243 CG2 VAL A 16 7.883 7.441 -0.835 1.00 0.00 C ATOM 0 H VAL A 16 8.281 9.211 -3.054 1.00 0.00 H new ATOM 0 HA VAL A 16 10.176 8.836 -0.989 1.00 0.00 H new ATOM 0 HB VAL A 16 8.714 6.882 -2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.281 5.182 -0.985 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.744 5.824 -1.769 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.271 6.406 -0.155 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.306 6.524 -0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.250 7.770 0.137 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.248 8.216 -1.264 1.00 0.00 H new ATOM 253 N GLU A 17 11.220 8.146 -4.049 1.00 0.00 N ATOM 254 CA GLU A 17 12.462 7.867 -4.805 1.00 0.00 C ATOM 255 C GLU A 17 13.424 9.069 -4.830 1.00 0.00 C ATOM 256 O GLU A 17 14.539 8.969 -5.353 1.00 0.00 O ATOM 257 CB GLU A 17 12.167 7.385 -6.236 1.00 0.00 C ATOM 258 CG GLU A 17 11.381 6.065 -6.299 1.00 0.00 C ATOM 259 CD GLU A 17 12.197 4.885 -5.753 1.00 0.00 C ATOM 260 OE1 GLU A 17 13.067 4.346 -6.477 1.00 0.00 O ATOM 261 OE2 GLU A 17 11.965 4.456 -4.599 1.00 0.00 O ATOM 0 H GLU A 17 10.406 8.365 -4.623 1.00 0.00 H new ATOM 0 HA GLU A 17 12.961 7.060 -4.269 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.604 8.157 -6.760 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.110 7.261 -6.769 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.459 6.164 -5.726 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.095 5.862 -7.331 1.00 0.00 H new ATOM 266 N ASN A 18 13.018 10.198 -4.238 1.00 0.00 N ATOM 267 CA ASN A 18 13.745 11.462 -4.203 1.00 0.00 C ATOM 268 C ASN A 18 14.391 11.743 -2.834 1.00 0.00 C ATOM 269 O ASN A 18 15.283 12.590 -2.743 1.00 0.00 O ATOM 270 CB ASN A 18 12.761 12.587 -4.588 1.00 0.00 C ATOM 271 CG ASN A 18 13.143 13.300 -5.872 1.00 0.00 C ATOM 272 OD1 ASN A 18 14.261 13.768 -6.054 1.00 0.00 O ATOM 273 ND2 ASN A 18 12.221 13.422 -6.800 1.00 0.00 N ATOM 0 H ASN A 18 12.126 10.252 -3.746 1.00 0.00 H new ATOM 0 HA ASN A 18 14.571 11.410 -4.913 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.762 12.166 -4.697 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.714 13.313 -3.777 1.00 0.00 H new ATOM 0 HD21 ASN A 18 12.436 13.906 -7.672 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.290 13.033 -6.649 1.00 0.00 H new ATOM 279 N GLU A 19 13.952 11.057 -1.771 1.00 0.00 N ATOM 280 CA GLU A 19 14.328 11.375 -0.387 1.00 0.00 C ATOM 281 C GLU A 19 15.481 10.498 0.118 1.00 0.00 C ATOM 282 O GLU A 19 16.651 10.836 -0.078 1.00 0.00 O ATOM 283 CB GLU A 19 13.082 11.289 0.511 1.00 0.00 C ATOM 284 CG GLU A 19 12.057 12.399 0.246 1.00 0.00 C ATOM 285 CD GLU A 19 12.554 13.794 0.679 1.00 0.00 C ATOM 286 OE1 GLU A 19 12.907 13.988 1.869 1.00 0.00 O ATOM 287 OE2 GLU A 19 12.592 14.718 -0.170 1.00 0.00 O ATOM 0 H GLU A 19 13.321 10.259 -1.848 1.00 0.00 H new ATOM 0 HA GLU A 19 14.708 12.396 -0.352 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.603 10.321 0.363 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.393 11.334 1.555 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.817 12.419 -0.817 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.133 12.167 0.777 1.00 0.00 H new ATOM 292 N ASP A 20 15.170 9.364 0.748 1.00 0.00 N ATOM 293 CA ASP A 20 16.138 8.384 1.242 1.00 0.00 C ATOM 294 C ASP A 20 15.664 6.965 0.922 1.00 0.00 C ATOM 295 O ASP A 20 15.017 6.292 1.722 1.00 0.00 O ATOM 296 CB ASP A 20 16.428 8.578 2.740 1.00 0.00 C ATOM 297 CG ASP A 20 17.455 9.690 2.988 1.00 0.00 C ATOM 298 OD1 ASP A 20 18.634 9.505 2.592 1.00 0.00 O ATOM 299 OD2 ASP A 20 17.107 10.724 3.610 1.00 0.00 O ATOM 0 H ASP A 20 14.204 9.094 0.935 1.00 0.00 H new ATOM 0 HA ASP A 20 17.085 8.543 0.725 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.501 8.818 3.260 1.00 0.00 H new ATOM 0 HB3 ASP A 20 16.797 7.643 3.162 1.00 0.00 H new ATOM 303 N LYS A 21 16.054 6.481 -0.257 1.00 0.00 N ATOM 304 CA LYS A 21 15.942 5.066 -0.661 1.00 0.00 C ATOM 305 C LYS A 21 16.710 4.114 0.280 1.00 0.00 C ATOM 306 O LYS A 21 16.399 2.923 0.346 1.00 0.00 O ATOM 307 CB LYS A 21 16.395 4.928 -2.127 1.00 0.00 C ATOM 308 CG LYS A 21 15.438 5.665 -3.086 1.00 0.00 C ATOM 309 CD LYS A 21 15.820 5.514 -4.566 1.00 0.00 C ATOM 310 CE LYS A 21 17.136 6.201 -4.962 1.00 0.00 C ATOM 311 NZ LYS A 21 17.074 7.678 -4.808 1.00 0.00 N ATOM 0 H LYS A 21 16.467 7.070 -0.980 1.00 0.00 H new ATOM 0 HA LYS A 21 14.898 4.762 -0.579 1.00 0.00 H new ATOM 0 HB2 LYS A 21 17.402 5.329 -2.237 1.00 0.00 H new ATOM 0 HB3 LYS A 21 16.441 3.873 -2.397 1.00 0.00 H new ATOM 0 HG2 LYS A 21 14.426 5.287 -2.939 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.423 6.724 -2.829 1.00 0.00 H new ATOM 0 HD2 LYS A 21 15.895 4.452 -4.801 1.00 0.00 H new ATOM 0 HD3 LYS A 21 15.015 5.920 -5.178 1.00 0.00 H new ATOM 0 HE2 LYS A 21 17.947 5.808 -4.348 1.00 0.00 H new ATOM 0 HE3 LYS A 21 17.373 5.956 -5.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 17.763 8.123 -5.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 16.117 8.012 -5.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 17.299 7.934 -3.825 1.00 0.00 H new ATOM 321 N ARG A 22 17.660 4.651 1.062 1.00 0.00 N ATOM 322 CA ARG A 22 18.379 4.000 2.181 1.00 0.00 C ATOM 323 C ARG A 22 17.518 3.783 3.438 1.00 0.00 C ATOM 324 O ARG A 22 17.864 2.948 4.278 1.00 0.00 O ATOM 325 CB ARG A 22 19.616 4.828 2.598 1.00 0.00 C ATOM 326 CG ARG A 22 20.471 5.413 1.456 1.00 0.00 C ATOM 327 CD ARG A 22 20.137 6.893 1.211 1.00 0.00 C ATOM 328 NE ARG A 22 20.919 7.454 0.095 1.00 0.00 N ATOM 329 CZ ARG A 22 20.993 8.725 -0.258 1.00 0.00 C ATOM 330 NH1 ARG A 22 20.355 9.673 0.370 1.00 0.00 N ATOM 331 NH2 ARG A 22 21.725 9.076 -1.277 1.00 0.00 N ATOM 0 H ARG A 22 17.970 5.613 0.925 1.00 0.00 H new ATOM 0 HA ARG A 22 18.666 3.022 1.793 1.00 0.00 H new ATOM 0 HB2 ARG A 22 19.279 5.651 3.227 1.00 0.00 H new ATOM 0 HB3 ARG A 22 20.256 4.197 3.215 1.00 0.00 H new ATOM 0 HG2 ARG A 22 21.528 5.312 1.702 1.00 0.00 H new ATOM 0 HG3 ARG A 22 20.301 4.843 0.542 1.00 0.00 H new ATOM 0 HD2 ARG A 22 19.073 6.995 0.996 1.00 0.00 H new ATOM 0 HD3 ARG A 22 20.335 7.465 2.117 1.00 0.00 H new ATOM 0 HE ARG A 22 21.459 6.792 -0.463 1.00 0.00 H new ATOM 0 HH11 ARG A 22 19.767 9.447 1.172 1.00 0.00 H new ATOM 0 HH12 ARG A 22 20.444 10.640 0.059 1.00 0.00 H new ATOM 0 HH21 ARG A 22 22.241 8.370 -1.802 1.00 0.00 H new ATOM 0 HH22 ARG A 22 21.782 10.057 -1.550 1.00 0.00 H new ATOM 342 N LYS A 23 16.428 4.546 3.585 1.00 0.00 N ATOM 343 CA LYS A 23 15.515 4.609 4.747 1.00 0.00 C ATOM 344 C LYS A 23 14.081 4.941 4.268 1.00 0.00 C ATOM 345 O LYS A 23 13.636 6.087 4.414 1.00 0.00 O ATOM 346 CB LYS A 23 16.017 5.664 5.761 1.00 0.00 C ATOM 347 CG LYS A 23 17.375 5.333 6.409 1.00 0.00 C ATOM 348 CD LYS A 23 17.770 6.344 7.495 1.00 0.00 C ATOM 349 CE LYS A 23 18.054 7.735 6.910 1.00 0.00 C ATOM 350 NZ LYS A 23 18.479 8.692 7.962 1.00 0.00 N ATOM 0 H LYS A 23 16.134 5.184 2.845 1.00 0.00 H new ATOM 0 HA LYS A 23 15.498 3.640 5.246 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.095 6.627 5.256 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.271 5.777 6.548 1.00 0.00 H new ATOM 0 HG2 LYS A 23 17.332 4.335 6.845 1.00 0.00 H new ATOM 0 HG3 LYS A 23 18.146 5.312 5.639 1.00 0.00 H new ATOM 0 HD2 LYS A 23 16.969 6.417 8.231 1.00 0.00 H new ATOM 0 HD3 LYS A 23 18.654 5.984 8.021 1.00 0.00 H new ATOM 0 HE2 LYS A 23 18.832 7.659 6.150 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.159 8.112 6.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.663 9.621 7.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.726 8.782 8.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 19.347 8.344 8.418 1.00 0.00 H new ATOM 360 N PRO A 24 13.360 3.979 3.659 1.00 0.00 N ATOM 361 CA PRO A 24 12.097 4.244 2.966 1.00 0.00 C ATOM 362 C PRO A 24 10.956 4.636 3.923 1.00 0.00 C ATOM 363 O PRO A 24 10.996 4.355 5.127 1.00 0.00 O ATOM 364 CB PRO A 24 11.787 2.941 2.217 1.00 0.00 C ATOM 365 CG PRO A 24 12.398 1.874 3.121 1.00 0.00 C ATOM 366 CD PRO A 24 13.662 2.556 3.633 1.00 0.00 C ATOM 0 HA PRO A 24 12.186 5.100 2.297 1.00 0.00 H new ATOM 0 HB2 PRO A 24 10.715 2.795 2.087 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.233 2.931 1.222 1.00 0.00 H new ATOM 0 HG2 PRO A 24 11.727 1.600 3.935 1.00 0.00 H new ATOM 0 HG3 PRO A 24 12.624 0.959 2.573 1.00 0.00 H new ATOM 0 HD2 PRO A 24 13.927 2.194 4.626 1.00 0.00 H new ATOM 0 HD3 PRO A 24 14.510 2.348 2.981 1.00 0.00 H new ATOM 371 N TYR A 25 9.910 5.251 3.367 1.00 0.00 N ATOM 372 CA TYR A 25 8.618 5.473 4.033 1.00 0.00 C ATOM 373 C TYR A 25 7.789 4.166 4.067 1.00 0.00 C ATOM 374 O TYR A 25 8.261 3.089 3.685 1.00 0.00 O ATOM 375 CB TYR A 25 7.855 6.627 3.343 1.00 0.00 C ATOM 376 CG TYR A 25 8.576 7.969 3.306 1.00 0.00 C ATOM 377 CD1 TYR A 25 9.610 8.209 2.380 1.00 0.00 C ATOM 378 CD2 TYR A 25 8.192 8.996 4.190 1.00 0.00 C ATOM 379 CE1 TYR A 25 10.262 9.456 2.343 1.00 0.00 C ATOM 380 CE2 TYR A 25 8.859 10.235 4.182 1.00 0.00 C ATOM 381 CZ TYR A 25 9.899 10.467 3.260 1.00 0.00 C ATOM 382 OH TYR A 25 10.548 11.663 3.258 1.00 0.00 O ATOM 0 H TYR A 25 9.936 5.619 2.416 1.00 0.00 H new ATOM 0 HA TYR A 25 8.795 5.766 5.068 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.630 6.328 2.319 1.00 0.00 H new ATOM 0 HB3 TYR A 25 6.901 6.762 3.852 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.905 7.430 1.693 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.378 8.831 4.880 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.038 9.639 1.615 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.574 11.007 4.882 1.00 0.00 H new ATOM 0 HH TYR A 25 10.170 12.242 3.953 1.00 0.00 H new ATOM 391 N SER A 26 6.536 4.255 4.508 1.00 0.00 N ATOM 392 CA SER A 26 5.551 3.169 4.551 1.00 0.00 C ATOM 393 C SER A 26 4.199 3.689 4.067 1.00 0.00 C ATOM 394 O SER A 26 4.012 4.901 3.965 1.00 0.00 O ATOM 395 CB SER A 26 5.433 2.621 5.980 1.00 0.00 C ATOM 396 OG SER A 26 5.109 3.650 6.903 1.00 0.00 O ATOM 0 H SER A 26 6.157 5.132 4.865 1.00 0.00 H new ATOM 0 HA SER A 26 5.876 2.360 3.897 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.667 1.846 6.012 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.373 2.152 6.270 1.00 0.00 H new ATOM 0 HG SER A 26 5.830 4.313 6.920 1.00 0.00 H new ATOM 401 N ASP A 27 3.241 2.807 3.792 1.00 0.00 N ATOM 402 CA ASP A 27 1.876 3.184 3.420 1.00 0.00 C ATOM 403 C ASP A 27 1.187 4.123 4.440 1.00 0.00 C ATOM 404 O ASP A 27 0.438 5.012 4.040 1.00 0.00 O ATOM 405 CB ASP A 27 1.039 1.940 3.064 1.00 0.00 C ATOM 406 CG ASP A 27 0.881 0.877 4.168 1.00 0.00 C ATOM 407 OD1 ASP A 27 1.252 1.115 5.340 1.00 0.00 O ATOM 408 OD2 ASP A 27 0.274 -0.184 3.881 1.00 0.00 O ATOM 0 H ASP A 27 3.391 1.798 3.821 1.00 0.00 H new ATOM 0 HA ASP A 27 1.950 3.791 2.517 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.045 2.272 2.766 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.490 1.463 2.194 1.00 0.00 H new ATOM 412 N GLN A 28 1.495 4.042 5.740 1.00 0.00 N ATOM 413 CA GLN A 28 1.068 5.048 6.711 1.00 0.00 C ATOM 414 C GLN A 28 1.784 6.383 6.460 1.00 0.00 C ATOM 415 O GLN A 28 1.149 7.431 6.343 1.00 0.00 O ATOM 416 CB GLN A 28 1.301 4.515 8.136 1.00 0.00 C ATOM 417 CG GLN A 28 1.095 5.572 9.233 1.00 0.00 C ATOM 418 CD GLN A 28 -0.301 6.207 9.242 1.00 0.00 C ATOM 419 OE1 GLN A 28 -1.228 5.721 9.880 1.00 0.00 O ATOM 420 NE2 GLN A 28 -0.512 7.311 8.551 1.00 0.00 N ATOM 0 H GLN A 28 2.043 3.282 6.143 1.00 0.00 H new ATOM 0 HA GLN A 28 0.001 5.241 6.596 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.624 3.680 8.317 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.316 4.124 8.207 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.279 5.112 10.204 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.839 6.359 9.108 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.248 7.730 8.014 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.435 7.746 8.554 1.00 0.00 H new ATOM 427 N GLU A 29 3.108 6.387 6.417 1.00 0.00 N ATOM 428 CA GLU A 29 3.889 7.612 6.323 1.00 0.00 C ATOM 429 C GLU A 29 3.620 8.389 5.029 1.00 0.00 C ATOM 430 O GLU A 29 3.320 9.577 5.105 1.00 0.00 O ATOM 431 CB GLU A 29 5.360 7.260 6.514 1.00 0.00 C ATOM 432 CG GLU A 29 5.679 6.843 7.956 1.00 0.00 C ATOM 433 CD GLU A 29 7.088 6.235 8.038 1.00 0.00 C ATOM 434 OE1 GLU A 29 7.272 5.107 7.520 1.00 0.00 O ATOM 435 OE2 GLU A 29 8.002 6.872 8.619 1.00 0.00 O ATOM 0 H GLU A 29 3.673 5.538 6.446 1.00 0.00 H new ATOM 0 HA GLU A 29 3.583 8.296 7.114 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.628 6.449 5.836 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.974 8.118 6.242 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.610 7.708 8.615 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.942 6.118 8.303 1.00 0.00 H new ATOM 440 N ILE A 30 3.625 7.742 3.859 1.00 0.00 N ATOM 441 CA ILE A 30 3.229 8.390 2.597 1.00 0.00 C ATOM 442 C ILE A 30 1.793 8.917 2.645 1.00 0.00 C ATOM 443 O ILE A 30 1.561 10.036 2.192 1.00 0.00 O ATOM 444 CB ILE A 30 3.522 7.525 1.353 1.00 0.00 C ATOM 445 CG1 ILE A 30 2.597 6.296 1.245 1.00 0.00 C ATOM 446 CG2 ILE A 30 5.012 7.158 1.325 1.00 0.00 C ATOM 447 CD1 ILE A 30 3.027 5.231 0.225 1.00 0.00 C ATOM 0 H ILE A 30 3.900 6.765 3.756 1.00 0.00 H new ATOM 0 HA ILE A 30 3.869 9.266 2.487 1.00 0.00 H new ATOM 0 HB ILE A 30 3.298 8.114 0.464 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.529 5.827 2.227 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.595 6.639 0.985 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.220 6.547 0.447 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.610 8.068 1.284 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.266 6.598 2.225 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.308 4.412 0.230 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.065 5.675 -0.770 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.013 4.850 0.490 1.00 0.00 H new ATOM 458 N ALA A 31 0.846 8.206 3.275 1.00 0.00 N ATOM 459 CA ALA A 31 -0.522 8.726 3.425 1.00 0.00 C ATOM 460 C ALA A 31 -0.564 10.018 4.269 1.00 0.00 C ATOM 461 O ALA A 31 -1.346 10.933 3.993 1.00 0.00 O ATOM 462 CB ALA A 31 -1.402 7.643 4.061 1.00 0.00 C ATOM 0 H ALA A 31 0.998 7.284 3.683 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.901 8.982 2.436 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.418 8.021 4.176 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.413 6.761 3.421 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.001 7.377 5.039 1.00 0.00 H new ATOM 468 N ASN A 32 0.298 10.117 5.284 1.00 0.00 N ATOM 469 CA ASN A 32 0.387 11.259 6.189 1.00 0.00 C ATOM 470 C ASN A 32 0.888 12.533 5.497 1.00 0.00 C ATOM 471 O ASN A 32 0.238 13.571 5.576 1.00 0.00 O ATOM 472 CB ASN A 32 1.278 10.866 7.374 1.00 0.00 C ATOM 473 CG ASN A 32 1.433 11.985 8.389 1.00 0.00 C ATOM 474 OD1 ASN A 32 0.468 12.523 8.914 1.00 0.00 O ATOM 475 ND2 ASN A 32 2.646 12.384 8.696 1.00 0.00 N ATOM 0 H ASN A 32 0.971 9.383 5.503 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.614 11.505 6.542 1.00 0.00 H new ATOM 0 HB2 ASN A 32 0.855 9.991 7.867 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.262 10.579 7.003 1.00 0.00 H new ATOM 0 HD21 ASN A 32 2.780 13.139 9.369 1.00 0.00 H new ATOM 0 HD22 ASN A 32 3.454 11.939 8.261 1.00 0.00 H new ATOM 481 N ILE A 33 2.030 12.475 4.811 1.00 0.00 N ATOM 482 CA ILE A 33 2.637 13.660 4.162 1.00 0.00 C ATOM 483 C ILE A 33 1.749 14.206 3.036 1.00 0.00 C ATOM 484 O ILE A 33 1.670 15.414 2.814 1.00 0.00 O ATOM 485 CB ILE A 33 4.024 13.313 3.597 1.00 0.00 C ATOM 486 CG1 ILE A 33 4.937 12.658 4.658 1.00 0.00 C ATOM 487 CG2 ILE A 33 4.748 14.522 2.991 1.00 0.00 C ATOM 488 CD1 ILE A 33 5.511 11.379 4.068 1.00 0.00 C ATOM 0 H ILE A 33 2.565 11.616 4.684 1.00 0.00 H new ATOM 0 HA ILE A 33 2.736 14.431 4.926 1.00 0.00 H new ATOM 0 HB ILE A 33 3.829 12.598 2.798 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.739 13.339 4.941 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.371 12.438 5.563 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.721 14.210 2.610 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.153 14.931 2.175 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.886 15.285 3.757 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.160 10.899 4.801 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.698 10.702 3.805 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.088 11.617 3.174 1.00 0.00 H new ATOM 499 N LEU A 34 1.021 13.317 2.355 1.00 0.00 N ATOM 500 CA LEU A 34 0.044 13.646 1.317 1.00 0.00 C ATOM 501 C LEU A 34 -1.128 14.469 1.866 1.00 0.00 C ATOM 502 O LEU A 34 -1.758 15.226 1.120 1.00 0.00 O ATOM 503 CB LEU A 34 -0.422 12.328 0.665 1.00 0.00 C ATOM 504 CG LEU A 34 0.399 11.871 -0.563 1.00 0.00 C ATOM 505 CD1 LEU A 34 1.908 12.118 -0.453 1.00 0.00 C ATOM 506 CD2 LEU A 34 0.157 10.383 -0.834 1.00 0.00 C ATOM 0 H LEU A 34 1.099 12.313 2.518 1.00 0.00 H new ATOM 0 HA LEU A 34 0.510 14.281 0.563 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.390 11.539 1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.464 12.439 0.364 1.00 0.00 H new ATOM 0 HG LEU A 34 0.045 12.488 -1.389 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.401 11.766 -1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.094 13.185 -0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.303 11.579 0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.740 10.072 -1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.461 9.801 0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.902 10.216 -1.030 1.00 0.00 H new ATOM 517 N LYS A 35 -1.383 14.400 3.176 1.00 0.00 N ATOM 518 CA LYS A 35 -2.424 15.215 3.823 1.00 0.00 C ATOM 519 C LYS A 35 -1.959 16.643 4.132 1.00 0.00 C ATOM 520 O LYS A 35 -2.785 17.515 4.402 1.00 0.00 O ATOM 521 CB LYS A 35 -2.964 14.460 5.054 1.00 0.00 C ATOM 522 CG LYS A 35 -2.463 14.998 6.404 1.00 0.00 C ATOM 523 CD LYS A 35 -2.689 13.963 7.511 1.00 0.00 C ATOM 524 CE LYS A 35 -2.469 14.549 8.911 1.00 0.00 C ATOM 525 NZ LYS A 35 -1.052 14.919 9.149 1.00 0.00 N ATOM 0 H LYS A 35 -0.881 13.785 3.816 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.248 15.355 3.123 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.053 14.503 5.042 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.686 13.409 4.970 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.402 15.240 6.335 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.985 15.923 6.650 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.704 13.573 7.439 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.013 13.121 7.362 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.099 15.430 9.037 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.784 13.823 9.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.955 15.326 10.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.454 14.071 9.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.752 15.619 8.441 1.00 0.00 H new ATOM 535 N GLU A 36 -0.648 16.895 4.076 1.00 0.00 N ATOM 536 CA GLU A 36 -0.059 18.198 4.397 1.00 0.00 C ATOM 537 C GLU A 36 -0.017 19.126 3.176 1.00 0.00 C ATOM 538 O GLU A 36 0.235 20.325 3.337 1.00 0.00 O ATOM 539 CB GLU A 36 1.354 18.028 4.984 1.00 0.00 C ATOM 540 CG GLU A 36 1.376 17.142 6.237 1.00 0.00 C ATOM 541 CD GLU A 36 2.743 17.218 6.944 1.00 0.00 C ATOM 542 OE1 GLU A 36 3.727 16.608 6.460 1.00 0.00 O ATOM 543 OE2 GLU A 36 2.840 17.885 8.005 1.00 0.00 O ATOM 0 H GLU A 36 0.041 16.193 3.804 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.700 18.664 5.145 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.007 17.594 4.227 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.760 19.009 5.231 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.590 17.457 6.923 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.163 16.110 5.960 1.00 0.00 H new ATOM 548 N LYS A 37 -0.276 18.598 1.965 1.00 0.00 N ATOM 549 CA LYS A 37 -0.129 19.351 0.707 1.00 0.00 C ATOM 550 C LYS A 37 -1.356 19.342 -0.209 1.00 0.00 C ATOM 551 O LYS A 37 -1.540 20.315 -0.947 1.00 0.00 O ATOM 552 CB LYS A 37 1.170 18.923 0.016 1.00 0.00 C ATOM 553 CG LYS A 37 1.203 17.424 -0.309 1.00 0.00 C ATOM 554 CD LYS A 37 2.583 17.005 -0.828 1.00 0.00 C ATOM 555 CE LYS A 37 3.542 16.877 0.358 1.00 0.00 C ATOM 556 NZ LYS A 37 4.953 16.744 -0.088 1.00 0.00 N ATOM 0 H LYS A 37 -0.593 17.638 1.832 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.058 20.407 0.966 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.291 19.493 -0.905 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.016 19.170 0.657 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.956 16.849 0.584 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.444 17.193 -1.057 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.513 16.056 -1.360 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.958 17.742 -1.538 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.444 17.752 1.001 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.266 16.009 0.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.573 16.660 0.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.051 15.895 -0.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.224 17.584 -0.638 1.00 0.00 H new ATOM 566 N GLY A 38 -2.257 18.358 -0.098 1.00 0.00 N ATOM 567 CA GLY A 38 -3.662 18.583 -0.467 1.00 0.00 C ATOM 568 C GLY A 38 -4.486 17.332 -0.747 1.00 0.00 C ATOM 569 O GLY A 38 -5.662 17.449 -1.099 1.00 0.00 O ATOM 0 H GLY A 38 -2.046 17.418 0.237 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.144 19.139 0.337 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.688 19.217 -1.353 1.00 0.00 H new ATOM 573 N PHE A 39 -3.893 16.141 -0.631 1.00 0.00 N ATOM 574 CA PHE A 39 -4.504 14.912 -1.122 1.00 0.00 C ATOM 575 C PHE A 39 -5.386 14.232 -0.074 1.00 0.00 C ATOM 576 O PHE A 39 -6.351 13.551 -0.428 1.00 0.00 O ATOM 577 CB PHE A 39 -3.395 13.969 -1.599 1.00 0.00 C ATOM 578 CG PHE A 39 -2.431 14.643 -2.550 1.00 0.00 C ATOM 579 CD1 PHE A 39 -2.881 15.045 -3.821 1.00 0.00 C ATOM 580 CD2 PHE A 39 -1.120 14.947 -2.139 1.00 0.00 C ATOM 581 CE1 PHE A 39 -2.022 15.746 -4.681 1.00 0.00 C ATOM 582 CE2 PHE A 39 -0.254 15.620 -3.019 1.00 0.00 C ATOM 583 CZ PHE A 39 -0.703 16.028 -4.287 1.00 0.00 C ATOM 0 H PHE A 39 -2.980 16.006 -0.196 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.165 15.165 -1.951 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.846 13.593 -0.736 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.843 13.106 -2.092 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.888 14.814 -4.135 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.781 14.665 -1.153 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.376 16.070 -5.649 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.763 15.825 -2.719 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.038 16.555 -4.955 1.00 0.00 H new ATOM 592 N LYS A 40 -5.029 14.430 1.207 1.00 0.00 N ATOM 593 CA LYS A 40 -5.555 13.830 2.445 1.00 0.00 C ATOM 594 C LYS A 40 -6.119 12.416 2.267 1.00 0.00 C ATOM 595 O LYS A 40 -7.173 12.072 2.808 1.00 0.00 O ATOM 596 CB LYS A 40 -6.486 14.826 3.163 1.00 0.00 C ATOM 597 CG LYS A 40 -7.612 15.361 2.262 1.00 0.00 C ATOM 598 CD LYS A 40 -8.905 15.660 3.031 1.00 0.00 C ATOM 599 CE LYS A 40 -9.596 14.360 3.463 1.00 0.00 C ATOM 600 NZ LYS A 40 -10.796 14.632 4.292 1.00 0.00 N ATOM 0 H LYS A 40 -4.281 15.089 1.423 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.715 13.651 3.116 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.926 14.339 4.033 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.895 15.665 3.532 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.272 16.270 1.767 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.822 14.631 1.480 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.679 16.266 3.908 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.579 16.244 2.405 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.884 13.789 2.580 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.895 13.744 4.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.239 13.732 4.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.517 15.156 5.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.475 15.199 3.745 1.00 0.00 H new ATOM 610 N VAL A 41 -5.384 11.598 1.510 1.00 0.00 N ATOM 611 CA VAL A 41 -5.693 10.176 1.292 1.00 0.00 C ATOM 612 C VAL A 41 -5.135 9.351 2.470 1.00 0.00 C ATOM 613 O VAL A 41 -4.080 9.660 3.025 1.00 0.00 O ATOM 614 CB VAL A 41 -5.219 9.665 -0.088 1.00 0.00 C ATOM 615 CG1 VAL A 41 -3.737 10.015 -0.312 1.00 0.00 C ATOM 616 CG2 VAL A 41 -5.327 8.145 -0.220 1.00 0.00 C ATOM 0 H VAL A 41 -4.543 11.906 1.022 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.776 10.051 1.268 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.867 10.147 -0.819 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.420 9.648 -1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.609 11.097 -0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.132 9.549 0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.981 7.840 -1.208 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.711 7.669 0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.366 7.841 -0.089 1.00 0.00 H new ATOM 626 N ALA A 42 -5.848 8.303 2.864 1.00 0.00 N ATOM 627 CA ALA A 42 -5.552 7.363 3.928 1.00 0.00 C ATOM 628 C ALA A 42 -4.720 6.162 3.448 1.00 0.00 C ATOM 629 O ALA A 42 -4.617 5.844 2.258 1.00 0.00 O ATOM 630 CB ALA A 42 -6.894 6.889 4.509 1.00 0.00 C ATOM 0 H ALA A 42 -6.728 8.072 2.402 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.945 7.862 4.684 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.711 6.178 5.315 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.445 7.745 4.899 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.479 6.407 3.726 1.00 0.00 H new ATOM 636 N ARG A 43 -4.168 5.435 4.420 1.00 0.00 N ATOM 637 CA ARG A 43 -3.254 4.306 4.224 1.00 0.00 C ATOM 638 C ARG A 43 -3.857 3.137 3.437 1.00 0.00 C ATOM 639 O ARG A 43 -3.130 2.452 2.720 1.00 0.00 O ATOM 640 CB ARG A 43 -2.696 3.909 5.604 1.00 0.00 C ATOM 641 CG ARG A 43 -1.812 2.652 5.579 1.00 0.00 C ATOM 642 CD ARG A 43 -2.609 1.408 5.988 1.00 0.00 C ATOM 643 NE ARG A 43 -2.004 0.182 5.452 1.00 0.00 N ATOM 644 CZ ARG A 43 -2.525 -1.021 5.410 1.00 0.00 C ATOM 645 NH1 ARG A 43 -3.601 -1.318 6.073 1.00 0.00 N ATOM 646 NH2 ARG A 43 -1.954 -1.932 4.686 1.00 0.00 N ATOM 0 H ARG A 43 -4.352 5.623 5.405 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.434 4.619 3.578 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.117 4.741 6.004 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.528 3.743 6.288 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.402 2.512 4.579 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.967 2.785 6.255 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.657 1.346 7.075 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.634 1.497 5.628 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.065 0.277 5.066 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.061 -0.608 6.643 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.986 -2.261 6.024 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.110 -1.709 4.158 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.348 -2.872 4.644 1.00 0.00 H new ATOM 657 N ARG A 44 -5.173 2.914 3.507 1.00 0.00 N ATOM 658 CA ARG A 44 -5.841 1.783 2.829 1.00 0.00 C ATOM 659 C ARG A 44 -5.821 1.942 1.311 1.00 0.00 C ATOM 660 O ARG A 44 -5.742 0.957 0.580 1.00 0.00 O ATOM 661 CB ARG A 44 -7.286 1.624 3.347 1.00 0.00 C ATOM 662 CG ARG A 44 -7.436 0.443 4.317 1.00 0.00 C ATOM 663 CD ARG A 44 -6.649 0.585 5.627 1.00 0.00 C ATOM 664 NE ARG A 44 -7.159 1.673 6.491 1.00 0.00 N ATOM 665 CZ ARG A 44 -6.917 1.846 7.779 1.00 0.00 C ATOM 666 NH1 ARG A 44 -6.242 0.982 8.484 1.00 0.00 N ATOM 667 NH2 ARG A 44 -7.354 2.895 8.406 1.00 0.00 N ATOM 0 H ARG A 44 -5.812 3.509 4.034 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.284 0.877 3.066 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.592 2.542 3.848 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.958 1.483 2.501 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.492 0.318 4.555 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.113 -0.468 3.812 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.692 -0.357 6.174 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.600 0.773 5.396 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.762 2.364 6.045 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.880 0.136 8.044 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.076 1.152 9.476 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.893 3.601 7.905 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.158 3.013 9.400 1.00 0.00 H new ATOM 678 N THR A 45 -5.868 3.183 0.838 1.00 0.00 N ATOM 679 CA THR A 45 -5.913 3.606 -0.544 1.00 0.00 C ATOM 680 C THR A 45 -4.516 3.661 -1.118 1.00 0.00 C ATOM 681 O THR A 45 -4.238 3.143 -2.198 1.00 0.00 O ATOM 682 CB THR A 45 -6.460 5.035 -0.564 1.00 0.00 C ATOM 683 OG1 THR A 45 -7.478 5.240 0.400 1.00 0.00 O ATOM 684 CG2 THR A 45 -6.960 5.370 -1.949 1.00 0.00 C ATOM 0 H THR A 45 -5.876 3.982 1.472 1.00 0.00 H new ATOM 0 HA THR A 45 -6.525 2.912 -1.120 1.00 0.00 H new ATOM 0 HB THR A 45 -5.642 5.705 -0.300 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.794 6.166 0.350 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.349 6.388 -1.959 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.140 5.288 -2.662 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.753 4.676 -2.227 1.00 0.00 H new ATOM 692 N VAL A 46 -3.614 4.298 -0.370 1.00 0.00 N ATOM 693 CA VAL A 46 -2.260 4.561 -0.811 1.00 0.00 C ATOM 694 C VAL A 46 -1.472 3.248 -0.955 1.00 0.00 C ATOM 695 O VAL A 46 -0.593 3.124 -1.811 1.00 0.00 O ATOM 696 CB VAL A 46 -1.600 5.574 0.144 1.00 0.00 C ATOM 697 CG1 VAL A 46 -0.782 4.926 1.256 1.00 0.00 C ATOM 698 CG2 VAL A 46 -0.661 6.514 -0.603 1.00 0.00 C ATOM 0 H VAL A 46 -3.814 4.646 0.568 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.267 5.012 -1.803 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.438 6.113 0.585 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.348 5.701 1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.428 4.287 1.858 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.016 4.326 0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.213 7.215 0.101 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.124 5.934 -1.088 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.222 7.066 -1.357 1.00 0.00 H new ATOM 708 N ALA A 47 -1.840 2.240 -0.153 1.00 0.00 N ATOM 709 CA ALA A 47 -1.280 0.900 -0.161 1.00 0.00 C ATOM 710 C ALA A 47 -1.667 0.126 -1.425 1.00 0.00 C ATOM 711 O ALA A 47 -0.875 -0.664 -1.935 1.00 0.00 O ATOM 712 CB ALA A 47 -1.781 0.150 1.074 1.00 0.00 C ATOM 0 H ALA A 47 -2.572 2.352 0.549 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.193 0.982 -0.147 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.367 -0.858 1.080 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.464 0.678 1.974 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.869 0.096 1.050 1.00 0.00 H new ATOM 718 N LYS A 48 -2.869 0.372 -1.957 1.00 0.00 N ATOM 719 CA LYS A 48 -3.334 -0.207 -3.223 1.00 0.00 C ATOM 720 C LYS A 48 -2.645 0.410 -4.443 1.00 0.00 C ATOM 721 O LYS A 48 -2.583 -0.218 -5.500 1.00 0.00 O ATOM 722 CB LYS A 48 -4.859 -0.031 -3.309 1.00 0.00 C ATOM 723 CG LYS A 48 -5.610 -0.962 -2.347 1.00 0.00 C ATOM 724 CD LYS A 48 -7.125 -0.737 -2.440 1.00 0.00 C ATOM 725 CE LYS A 48 -7.837 -1.604 -1.397 1.00 0.00 C ATOM 726 NZ LYS A 48 -9.309 -1.606 -1.591 1.00 0.00 N ATOM 0 H LYS A 48 -3.554 0.985 -1.516 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.073 -1.265 -3.234 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.116 1.004 -3.084 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.188 -0.226 -4.330 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.377 -2.000 -2.583 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.274 -0.784 -1.326 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.358 0.315 -2.274 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.480 -0.988 -3.440 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.462 -2.626 -1.457 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.603 -1.236 -0.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.754 -2.204 -0.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.671 -0.635 -1.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.534 -1.981 -2.535 1.00 0.00 H new ATOM 736 N TYR A 49 -2.109 1.624 -4.309 1.00 0.00 N ATOM 737 CA TYR A 49 -1.523 2.376 -5.420 1.00 0.00 C ATOM 738 C TYR A 49 -0.079 1.984 -5.705 1.00 0.00 C ATOM 739 O TYR A 49 0.251 1.726 -6.865 1.00 0.00 O ATOM 740 CB TYR A 49 -1.676 3.880 -5.191 1.00 0.00 C ATOM 741 CG TYR A 49 -2.996 4.428 -5.704 1.00 0.00 C ATOM 742 CD1 TYR A 49 -4.192 3.680 -5.652 1.00 0.00 C ATOM 743 CD2 TYR A 49 -2.998 5.689 -6.319 1.00 0.00 C ATOM 744 CE1 TYR A 49 -5.366 4.188 -6.241 1.00 0.00 C ATOM 745 CE2 TYR A 49 -4.156 6.196 -6.929 1.00 0.00 C ATOM 746 CZ TYR A 49 -5.345 5.440 -6.896 1.00 0.00 C ATOM 747 OH TYR A 49 -6.471 5.947 -7.457 1.00 0.00 O ATOM 0 H TYR A 49 -2.069 2.118 -3.417 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.080 2.111 -6.318 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.592 4.090 -4.125 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.856 4.402 -5.684 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.207 2.718 -5.161 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.094 6.279 -6.323 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.283 3.620 -6.192 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.136 7.158 -7.420 1.00 0.00 H new ATOM 0 HH TYR A 49 -6.272 6.817 -7.862 1.00 0.00 H new ATOM 756 N ARG A 50 0.764 1.829 -4.673 1.00 0.00 N ATOM 757 CA ARG A 50 2.133 1.288 -4.839 1.00 0.00 C ATOM 758 C ARG A 50 2.168 -0.009 -5.659 1.00 0.00 C ATOM 759 O ARG A 50 3.122 -0.237 -6.400 1.00 0.00 O ATOM 760 CB ARG A 50 2.838 1.090 -3.482 1.00 0.00 C ATOM 761 CG ARG A 50 1.991 0.329 -2.452 1.00 0.00 C ATOM 762 CD ARG A 50 2.818 -0.363 -1.359 1.00 0.00 C ATOM 763 NE ARG A 50 3.071 -1.789 -1.660 1.00 0.00 N ATOM 764 CZ ARG A 50 2.233 -2.792 -1.447 1.00 0.00 C ATOM 765 NH1 ARG A 50 0.983 -2.601 -1.157 1.00 0.00 N ATOM 766 NH2 ARG A 50 2.638 -4.024 -1.522 1.00 0.00 N ATOM 0 H ARG A 50 0.527 2.069 -3.711 1.00 0.00 H new ATOM 0 HA ARG A 50 2.682 2.040 -5.405 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.771 0.550 -3.643 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.101 2.066 -3.073 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.295 1.025 -1.983 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.392 -0.420 -2.970 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.770 0.156 -1.245 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.295 -0.283 -0.406 1.00 0.00 H new ATOM 0 HE ARG A 50 3.976 -2.021 -2.070 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.615 -1.652 -1.086 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.368 -3.400 -1.000 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.612 -4.228 -1.747 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.982 -4.787 -1.356 1.00 0.00 H new ATOM 777 N GLU A 51 1.099 -0.806 -5.582 1.00 0.00 N ATOM 778 CA GLU A 51 0.987 -2.104 -6.259 1.00 0.00 C ATOM 779 C GLU A 51 0.795 -1.970 -7.782 1.00 0.00 C ATOM 780 O GLU A 51 1.293 -2.809 -8.540 1.00 0.00 O ATOM 781 CB GLU A 51 -0.164 -2.903 -5.619 1.00 0.00 C ATOM 782 CG GLU A 51 -0.270 -4.339 -6.154 1.00 0.00 C ATOM 783 CD GLU A 51 -1.347 -5.153 -5.413 1.00 0.00 C ATOM 784 OE1 GLU A 51 -2.546 -4.784 -5.464 1.00 0.00 O ATOM 785 OE2 GLU A 51 -1.008 -6.196 -4.802 1.00 0.00 O ATOM 0 H GLU A 51 0.271 -0.564 -5.038 1.00 0.00 H new ATOM 0 HA GLU A 51 1.928 -2.639 -6.127 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.021 -2.934 -4.539 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.105 -2.383 -5.801 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.504 -4.313 -7.218 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.695 -4.836 -6.052 1.00 0.00 H new ATOM 790 N MET A 52 0.107 -0.917 -8.247 1.00 0.00 N ATOM 791 CA MET A 52 -0.200 -0.709 -9.672 1.00 0.00 C ATOM 792 C MET A 52 0.817 0.185 -10.404 1.00 0.00 C ATOM 793 O MET A 52 0.957 0.076 -11.625 1.00 0.00 O ATOM 794 CB MET A 52 -1.648 -0.220 -9.850 1.00 0.00 C ATOM 795 CG MET A 52 -1.876 1.247 -9.475 1.00 0.00 C ATOM 796 SD MET A 52 -3.603 1.778 -9.628 1.00 0.00 S ATOM 797 CE MET A 52 -3.383 3.544 -9.293 1.00 0.00 C ATOM 0 H MET A 52 -0.255 -0.180 -7.642 1.00 0.00 H new ATOM 0 HA MET A 52 -0.108 -1.682 -10.156 1.00 0.00 H new ATOM 0 HB2 MET A 52 -1.941 -0.365 -10.890 1.00 0.00 H new ATOM 0 HB3 MET A 52 -2.305 -0.843 -9.243 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.546 1.406 -8.448 1.00 0.00 H new ATOM 0 HG3 MET A 52 -1.254 1.876 -10.111 1.00 0.00 H new ATOM 0 HE1 MET A 52 -4.351 3.997 -9.079 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.725 3.672 -8.434 1.00 0.00 H new ATOM 0 HE3 MET A 52 -2.940 4.027 -10.164 1.00 0.00 H new ATOM 805 N LEU A 53 1.559 1.036 -9.681 1.00 0.00 N ATOM 806 CA LEU A 53 2.691 1.799 -10.215 1.00 0.00 C ATOM 807 C LEU A 53 3.910 0.894 -10.463 1.00 0.00 C ATOM 808 O LEU A 53 4.317 0.707 -11.612 1.00 0.00 O ATOM 809 CB LEU A 53 2.996 2.963 -9.260 1.00 0.00 C ATOM 810 CG LEU A 53 2.003 4.122 -9.483 1.00 0.00 C ATOM 811 CD1 LEU A 53 1.475 4.644 -8.151 1.00 0.00 C ATOM 812 CD2 LEU A 53 2.735 5.230 -10.235 1.00 0.00 C ATOM 0 H LEU A 53 1.384 1.215 -8.692 1.00 0.00 H new ATOM 0 HA LEU A 53 2.433 2.214 -11.189 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.936 2.619 -8.228 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.015 3.314 -9.420 1.00 0.00 H new ATOM 0 HG LEU A 53 1.147 3.773 -10.061 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.776 5.461 -8.332 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.964 3.840 -7.622 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.307 5.005 -7.546 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.055 6.064 -10.407 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.585 5.571 -9.644 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.089 4.848 -11.192 1.00 0.00 H new ATOM 823 N GLY A 54 4.470 0.300 -9.403 1.00 0.00 N ATOM 824 CA GLY A 54 5.488 -0.754 -9.511 1.00 0.00 C ATOM 825 C GLY A 54 6.279 -1.114 -8.245 1.00 0.00 C ATOM 826 O GLY A 54 7.119 -2.016 -8.293 1.00 0.00 O ATOM 0 H GLY A 54 4.229 0.537 -8.441 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.997 -1.659 -9.869 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.202 -0.454 -10.278 1.00 0.00 H new ATOM 830 N ILE A 55 6.056 -0.427 -7.122 1.00 0.00 N ATOM 831 CA ILE A 55 6.755 -0.660 -5.849 1.00 0.00 C ATOM 832 C ILE A 55 6.280 -1.975 -5.186 1.00 0.00 C ATOM 833 O ILE A 55 5.073 -2.157 -4.988 1.00 0.00 O ATOM 834 CB ILE A 55 6.570 0.565 -4.925 1.00 0.00 C ATOM 835 CG1 ILE A 55 7.459 1.721 -5.438 1.00 0.00 C ATOM 836 CG2 ILE A 55 6.921 0.257 -3.458 1.00 0.00 C ATOM 837 CD1 ILE A 55 6.922 3.103 -5.044 1.00 0.00 C ATOM 0 H ILE A 55 5.369 0.325 -7.068 1.00 0.00 H new ATOM 0 HA ILE A 55 7.822 -0.780 -6.039 1.00 0.00 H new ATOM 0 HB ILE A 55 5.517 0.845 -4.951 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.467 1.601 -5.042 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.534 1.661 -6.524 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.773 1.152 -2.853 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.276 -0.541 -3.089 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.962 -0.058 -3.391 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.586 3.875 -5.431 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.925 3.239 -5.463 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.873 3.178 -3.958 1.00 0.00 H new ATOM 848 N PRO A 56 7.200 -2.887 -4.800 1.00 0.00 N ATOM 849 CA PRO A 56 6.873 -4.085 -4.031 1.00 0.00 C ATOM 850 C PRO A 56 6.494 -3.696 -2.593 1.00 0.00 C ATOM 851 O PRO A 56 5.338 -3.835 -2.197 1.00 0.00 O ATOM 852 CB PRO A 56 8.104 -4.991 -4.146 1.00 0.00 C ATOM 853 CG PRO A 56 9.270 -4.030 -4.381 1.00 0.00 C ATOM 854 CD PRO A 56 8.637 -2.787 -5.008 1.00 0.00 C ATOM 0 HA PRO A 56 6.002 -4.623 -4.404 1.00 0.00 H new ATOM 0 HB2 PRO A 56 8.250 -5.578 -3.239 1.00 0.00 H new ATOM 0 HB3 PRO A 56 8.001 -5.698 -4.969 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.776 -3.787 -3.447 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.017 -4.469 -5.043 1.00 0.00 H new ATOM 0 HD2 PRO A 56 9.031 -1.881 -4.548 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.869 -2.731 -6.072 1.00 0.00 H new ATOM 859 N SER A 57 7.437 -3.137 -1.830 1.00 0.00 N ATOM 860 CA SER A 57 7.188 -2.408 -0.569 1.00 0.00 C ATOM 861 C SER A 57 8.192 -1.279 -0.273 1.00 0.00 C ATOM 862 O SER A 57 8.022 -0.502 0.666 1.00 0.00 O ATOM 863 CB SER A 57 7.191 -3.396 0.604 1.00 0.00 C ATOM 864 OG SER A 57 8.505 -3.882 0.848 1.00 0.00 O ATOM 0 H SER A 57 8.427 -3.177 -2.074 1.00 0.00 H new ATOM 0 HA SER A 57 6.216 -1.930 -0.692 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.807 -2.907 1.499 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.524 -4.230 0.385 1.00 0.00 H new ATOM 0 HG SER A 57 8.487 -4.509 1.601 1.00 0.00 H new ATOM 869 N SER A 58 9.281 -1.216 -1.048 1.00 0.00 N ATOM 870 CA SER A 58 10.521 -0.447 -0.827 1.00 0.00 C ATOM 871 C SER A 58 11.298 -0.764 0.463 1.00 0.00 C ATOM 872 O SER A 58 12.493 -0.472 0.519 1.00 0.00 O ATOM 873 CB SER A 58 10.298 1.061 -0.998 1.00 0.00 C ATOM 874 OG SER A 58 9.968 1.350 -2.348 1.00 0.00 O ATOM 0 H SER A 58 9.326 -1.744 -1.920 1.00 0.00 H new ATOM 0 HA SER A 58 11.181 -0.799 -1.620 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.497 1.396 -0.339 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.197 1.606 -0.710 1.00 0.00 H new ATOM 0 HG SER A 58 9.825 2.314 -2.451 1.00 0.00 H new ATOM 879 N ARG A 59 10.709 -1.465 1.444 1.00 0.00 N ATOM 880 CA ARG A 59 11.403 -2.090 2.580 1.00 0.00 C ATOM 881 C ARG A 59 12.269 -3.226 2.059 1.00 0.00 C ATOM 882 O ARG A 59 13.439 -3.330 2.418 1.00 0.00 O ATOM 883 CB ARG A 59 10.347 -2.562 3.604 1.00 0.00 C ATOM 884 CG ARG A 59 10.838 -3.590 4.640 1.00 0.00 C ATOM 885 CD ARG A 59 9.683 -3.965 5.578 1.00 0.00 C ATOM 886 NE ARG A 59 9.987 -5.138 6.417 1.00 0.00 N ATOM 887 CZ ARG A 59 9.150 -5.733 7.249 1.00 0.00 C ATOM 888 NH1 ARG A 59 7.943 -5.286 7.454 1.00 0.00 N ATOM 889 NH2 ARG A 59 9.519 -6.799 7.899 1.00 0.00 N ATOM 0 H ARG A 59 9.701 -1.617 1.469 1.00 0.00 H new ATOM 0 HA ARG A 59 12.061 -1.385 3.088 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.967 -1.690 4.136 1.00 0.00 H new ATOM 0 HB3 ARG A 59 9.507 -2.994 3.060 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.214 -4.480 4.135 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.667 -3.176 5.214 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.452 -3.115 6.220 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.791 -4.169 4.985 1.00 0.00 H new ATOM 0 HE ARG A 59 10.928 -5.525 6.349 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.618 -4.452 6.965 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.323 -5.770 8.103 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.457 -7.178 7.767 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.870 -7.255 8.540 1.00 0.00 H new ATOM 900 N GLU A 60 11.700 -4.041 1.171 1.00 0.00 N ATOM 901 CA GLU A 60 12.363 -5.213 0.602 1.00 0.00 C ATOM 902 C GLU A 60 13.436 -4.858 -0.444 1.00 0.00 C ATOM 903 O GLU A 60 14.378 -5.628 -0.657 1.00 0.00 O ATOM 904 CB GLU A 60 11.316 -6.219 0.088 1.00 0.00 C ATOM 905 CG GLU A 60 10.561 -5.826 -1.194 1.00 0.00 C ATOM 906 CD GLU A 60 11.171 -6.490 -2.444 1.00 0.00 C ATOM 907 OE1 GLU A 60 10.881 -7.684 -2.702 1.00 0.00 O ATOM 908 OE2 GLU A 60 11.932 -5.824 -3.186 1.00 0.00 O ATOM 0 H GLU A 60 10.752 -3.903 0.822 1.00 0.00 H new ATOM 0 HA GLU A 60 12.922 -5.699 1.401 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.815 -7.172 -0.088 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.584 -6.384 0.879 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.514 -6.116 -1.103 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.583 -4.742 -1.311 1.00 0.00 H new ATOM 913 N ARG A 61 13.336 -3.660 -1.044 1.00 0.00 N ATOM 914 CA ARG A 61 14.363 -3.043 -1.900 1.00 0.00 C ATOM 915 C ARG A 61 15.546 -2.522 -1.081 1.00 0.00 C ATOM 916 O ARG A 61 16.695 -2.689 -1.498 1.00 0.00 O ATOM 917 CB ARG A 61 13.755 -1.893 -2.725 1.00 0.00 C ATOM 918 CG ARG A 61 12.704 -2.389 -3.732 1.00 0.00 C ATOM 919 CD ARG A 61 11.960 -1.258 -4.454 1.00 0.00 C ATOM 920 NE ARG A 61 12.863 -0.345 -5.181 1.00 0.00 N ATOM 921 CZ ARG A 61 12.816 0.976 -5.217 1.00 0.00 C ATOM 922 NH1 ARG A 61 11.978 1.675 -4.510 1.00 0.00 N ATOM 923 NH2 ARG A 61 13.627 1.638 -5.987 1.00 0.00 N ATOM 0 H ARG A 61 12.508 -3.073 -0.942 1.00 0.00 H new ATOM 0 HA ARG A 61 14.733 -3.817 -2.573 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.296 -1.169 -2.052 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.550 -1.373 -3.259 1.00 0.00 H new ATOM 0 HG2 ARG A 61 13.193 -3.021 -4.473 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.979 -3.013 -3.209 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.247 -1.690 -5.156 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.384 -0.687 -3.726 1.00 0.00 H new ATOM 0 HE ARG A 61 13.611 -0.784 -5.718 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.317 1.205 -3.892 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.982 2.693 -4.574 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.302 1.139 -6.566 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.588 2.657 -6.013 1.00 0.00 H new ATOM 934 N ARG A 62 15.277 -1.885 0.069 1.00 0.00 N ATOM 935 CA ARG A 62 16.269 -1.264 0.947 1.00 0.00 C ATOM 936 C ARG A 62 17.101 -2.285 1.737 1.00 0.00 C ATOM 937 O ARG A 62 18.332 -2.248 1.671 1.00 0.00 O ATOM 938 CB ARG A 62 15.492 -0.297 1.851 1.00 0.00 C ATOM 939 CG ARG A 62 16.338 0.335 2.960 1.00 0.00 C ATOM 940 CD ARG A 62 15.790 -0.058 4.331 1.00 0.00 C ATOM 941 NE ARG A 62 16.536 0.624 5.404 1.00 0.00 N ATOM 942 CZ ARG A 62 16.394 0.473 6.707 1.00 0.00 C ATOM 943 NH1 ARG A 62 15.539 -0.366 7.219 1.00 0.00 N ATOM 944 NH2 ARG A 62 17.119 1.176 7.528 1.00 0.00 N ATOM 0 H ARG A 62 14.325 -1.787 0.422 1.00 0.00 H new ATOM 0 HA ARG A 62 17.017 -0.729 0.361 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.066 0.496 1.236 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.657 -0.831 2.305 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.374 0.009 2.867 1.00 0.00 H new ATOM 0 HG3 ARG A 62 16.335 1.420 2.856 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.733 0.202 4.394 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.861 -1.138 4.461 1.00 0.00 H new ATOM 0 HE ARG A 62 17.246 1.292 5.104 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.952 -0.933 6.607 1.00 0.00 H new ATOM 0 HH12 ARG A 62 15.457 -0.456 8.232 1.00 0.00 H new ATOM 0 HH21 ARG A 62 17.798 1.845 7.164 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.008 1.058 8.535 1.00 0.00 H new ATOM 955 N ILE A 63 16.435 -3.131 2.532 1.00 0.00 N ATOM 956 CA ILE A 63 17.019 -4.021 3.561 1.00 0.00 C ATOM 957 C ILE A 63 18.113 -4.971 3.037 1.00 0.00 C ATOM 958 O ILE A 63 17.980 -5.529 1.923 1.00 0.00 O ATOM 959 CB ILE A 63 15.887 -4.734 4.342 1.00 0.00 C ATOM 960 CG1 ILE A 63 16.335 -5.288 5.712 1.00 0.00 C ATOM 961 CG2 ILE A 63 15.248 -5.872 3.527 1.00 0.00 C ATOM 962 CD1 ILE A 63 16.702 -4.192 6.722 1.00 0.00 C ATOM 963 OXT ILE A 63 19.130 -5.140 3.750 1.00 0.00 O ATOM 0 H ILE A 63 15.421 -3.223 2.478 1.00 0.00 H new ATOM 0 HA ILE A 63 17.568 -3.392 4.263 1.00 0.00 H new ATOM 0 HB ILE A 63 15.147 -3.954 4.521 1.00 0.00 H new ATOM 0 HG12 ILE A 63 15.535 -5.901 6.127 1.00 0.00 H new ATOM 0 HG13 ILE A 63 17.195 -5.942 5.568 1.00 0.00 H new ATOM 0 HG21 ILE A 63 14.460 -6.343 4.115 1.00 0.00 H new ATOM 0 HG22 ILE A 63 14.823 -5.467 2.608 1.00 0.00 H new ATOM 0 HG23 ILE A 63 16.008 -6.613 3.280 1.00 0.00 H new ATOM 0 HD11 ILE A 63 17.007 -4.651 7.662 1.00 0.00 H new ATOM 0 HD12 ILE A 63 17.523 -3.593 6.327 1.00 0.00 H new ATOM 0 HD13 ILE A 63 15.837 -3.552 6.895 1.00 0.00 H new