USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 616 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 1 MET CE :methyl -161:sc= -0.118 (180deg=-0.686) USER MOD Single : A 1 MET N :NH3+ -129:sc= -0.0167 (180deg=-0.937) USER MOD Single : A 3 ASN : amide:sc= -0.311 X(o=-0.31,f=-0.12) USER MOD Single : A 5 ASN : amide:sc= -0.033 K(o=-0.033,f=-1.2) USER MOD Single : A 6 MET CE :methyl -157:sc= -0.192 (180deg=-1.13) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 161:sc= -0.102 (180deg=-0.631) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 178:sc= -2.96 (180deg=-3.07) USER MOD Single : A 34 LYS NZ :NH3+ -166:sc= -0.0531 (180deg=-0.294) USER MOD Single : A 42 GLN : amide:sc= -2.01 K(o=-2,f=-4.5!) USER MOD Single : A 51 THR OG1 : rot 77:sc= 0.564 USER MOD Single : A 52 GLN : amide:sc= -1.32 X(o=-1.3,f=-1.3) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 166:sc= -0.0592 (180deg=-0.434) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -162:sc= -0.115 (180deg=-0.618) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.868 -28.074 3.903 1.00 0.00 N ATOM 2 CA MET A 1 -3.482 -27.627 4.192 1.00 0.00 C ATOM 3 C MET A 1 -2.633 -27.603 2.924 1.00 0.00 C ATOM 4 O MET A 1 -2.366 -26.540 2.364 1.00 0.00 O ATOM 5 CB MET A 1 -2.867 -28.574 5.227 1.00 0.00 C ATOM 6 CG MET A 1 -3.581 -28.554 6.569 1.00 0.00 C ATOM 7 SD MET A 1 -3.561 -26.925 7.342 1.00 0.00 S ATOM 8 CE MET A 1 -1.799 -26.650 7.508 1.00 0.00 C ATOM 0 H1 MET A 1 -5.543 -27.394 4.307 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.007 -28.130 2.874 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.026 -29.011 4.325 1.00 0.00 H new ATOM 0 HA MET A 1 -3.509 -26.611 4.585 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.882 -29.590 4.832 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.821 -28.305 5.377 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.614 -28.874 6.431 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.110 -29.275 7.237 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.620 -25.872 8.251 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.315 -27.573 7.826 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.388 -26.336 6.549 1.00 0.00 H new ATOM 20 N GLU A 2 -2.210 -28.782 2.476 1.00 0.00 N ATOM 21 CA GLU A 2 -1.387 -28.901 1.278 1.00 0.00 C ATOM 22 C GLU A 2 -1.988 -28.127 0.105 1.00 0.00 C ATOM 23 O GLU A 2 -1.269 -27.692 -0.795 1.00 0.00 O ATOM 24 CB GLU A 2 -1.223 -30.374 0.896 1.00 0.00 C ATOM 25 CG GLU A 2 -2.539 -31.076 0.604 1.00 0.00 C ATOM 26 CD GLU A 2 -2.350 -32.533 0.228 1.00 0.00 C ATOM 27 OE1 GLU A 2 -1.806 -33.293 1.056 1.00 0.00 O ATOM 28 OE2 GLU A 2 -2.748 -32.913 -0.893 1.00 0.00 O ATOM 0 H GLU A 2 -2.425 -29.671 2.927 1.00 0.00 H new ATOM 0 HA GLU A 2 -0.411 -28.471 1.502 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.581 -30.444 0.018 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.714 -30.896 1.706 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.184 -31.011 1.480 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -3.051 -30.558 -0.207 1.00 0.00 H new ATOM 35 N ASN A 3 -3.308 -27.962 0.118 1.00 0.00 N ATOM 36 CA ASN A 3 -3.995 -27.244 -0.950 1.00 0.00 C ATOM 37 C ASN A 3 -4.437 -25.859 -0.491 1.00 0.00 C ATOM 38 O ASN A 3 -4.376 -24.894 -1.254 1.00 0.00 O ATOM 39 CB ASN A 3 -5.206 -28.044 -1.433 1.00 0.00 C ATOM 40 CG ASN A 3 -4.821 -29.404 -1.979 1.00 0.00 C ATOM 41 OD1 ASN A 3 -4.059 -29.506 -2.941 1.00 0.00 O ATOM 42 ND2 ASN A 3 -5.348 -30.459 -1.368 1.00 0.00 N ATOM 0 H ASN A 3 -3.921 -28.314 0.853 1.00 0.00 H new ATOM 0 HA ASN A 3 -3.293 -27.121 -1.775 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -5.906 -28.172 -0.607 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -5.726 -27.479 -2.207 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -5.126 -31.400 -1.693 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -5.975 -30.328 -0.574 1.00 0.00 H new ATOM 49 N LEU A 4 -4.881 -25.763 0.758 1.00 0.00 N ATOM 50 CA LEU A 4 -5.330 -24.489 1.310 1.00 0.00 C ATOM 51 C LEU A 4 -4.155 -23.571 1.625 1.00 0.00 C ATOM 52 O LEU A 4 -4.345 -22.404 1.965 1.00 0.00 O ATOM 53 CB LEU A 4 -6.174 -24.718 2.567 1.00 0.00 C ATOM 54 CG LEU A 4 -7.563 -25.316 2.318 1.00 0.00 C ATOM 55 CD1 LEU A 4 -7.457 -26.643 1.581 1.00 0.00 C ATOM 56 CD2 LEU A 4 -8.307 -25.493 3.633 1.00 0.00 C ATOM 0 H LEU A 4 -4.940 -26.549 1.405 1.00 0.00 H new ATOM 0 HA LEU A 4 -5.944 -24.000 0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.626 -25.379 3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.293 -23.766 3.084 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.126 -24.625 1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.455 -27.048 1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.965 -26.488 0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.875 -27.345 2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.292 -25.919 3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.743 -26.163 4.283 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.420 -24.525 4.120 1.00 0.00 H new ATOM 68 N ASN A 5 -2.941 -24.092 1.498 1.00 0.00 N ATOM 69 CA ASN A 5 -1.753 -23.310 1.759 1.00 0.00 C ATOM 70 C ASN A 5 -1.577 -22.279 0.660 1.00 0.00 C ATOM 71 O ASN A 5 -1.593 -21.074 0.915 1.00 0.00 O ATOM 72 CB ASN A 5 -0.529 -24.215 1.844 1.00 0.00 C ATOM 73 CG ASN A 5 0.687 -23.485 2.369 1.00 0.00 C ATOM 74 OD1 ASN A 5 1.244 -22.615 1.702 1.00 0.00 O ATOM 75 ND2 ASN A 5 1.087 -23.827 3.584 1.00 0.00 N ATOM 0 H ASN A 5 -2.760 -25.055 1.215 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.863 -22.798 2.715 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -0.750 -25.062 2.493 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -0.309 -24.619 0.856 1.00 0.00 H new ATOM 0 HD21 ASN A 5 1.891 -23.362 4.006 1.00 0.00 H new ATOM 0 HD22 ASN A 5 0.591 -24.556 4.098 1.00 0.00 H new ATOM 82 N MET A 6 -1.447 -22.759 -0.573 1.00 0.00 N ATOM 83 CA MET A 6 -1.313 -21.877 -1.716 1.00 0.00 C ATOM 84 C MET A 6 -2.434 -20.849 -1.700 1.00 0.00 C ATOM 85 O MET A 6 -2.259 -19.710 -2.129 1.00 0.00 O ATOM 86 CB MET A 6 -1.353 -22.675 -3.020 1.00 0.00 C ATOM 87 CG MET A 6 -0.010 -23.259 -3.424 1.00 0.00 C ATOM 88 SD MET A 6 0.727 -24.276 -2.130 1.00 0.00 S ATOM 89 CE MET A 6 2.248 -24.787 -2.925 1.00 0.00 C ATOM 0 H MET A 6 -1.432 -23.753 -0.801 1.00 0.00 H new ATOM 0 HA MET A 6 -0.352 -21.367 -1.656 1.00 0.00 H new ATOM 0 HB2 MET A 6 -2.075 -23.485 -2.917 1.00 0.00 H new ATOM 0 HB3 MET A 6 -1.713 -22.028 -3.820 1.00 0.00 H new ATOM 0 HG2 MET A 6 -0.136 -23.860 -4.324 1.00 0.00 H new ATOM 0 HG3 MET A 6 0.673 -22.448 -3.676 1.00 0.00 H new ATOM 0 HE1 MET A 6 2.610 -25.705 -2.463 1.00 0.00 H new ATOM 0 HE2 MET A 6 2.063 -24.963 -3.985 1.00 0.00 H new ATOM 0 HE3 MET A 6 2.998 -24.004 -2.812 1.00 0.00 H new ATOM 99 N ASP A 7 -3.586 -21.263 -1.177 1.00 0.00 N ATOM 100 CA ASP A 7 -4.738 -20.379 -1.081 1.00 0.00 C ATOM 101 C ASP A 7 -4.515 -19.345 0.013 1.00 0.00 C ATOM 102 O ASP A 7 -4.956 -18.203 -0.098 1.00 0.00 O ATOM 103 CB ASP A 7 -6.006 -21.185 -0.796 1.00 0.00 C ATOM 104 CG ASP A 7 -7.242 -20.310 -0.711 1.00 0.00 C ATOM 105 OD1 ASP A 7 -7.275 -19.413 0.158 1.00 0.00 O ATOM 106 OD2 ASP A 7 -8.176 -20.523 -1.512 1.00 0.00 O ATOM 0 H ASP A 7 -3.743 -22.203 -0.815 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.862 -19.863 -2.033 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -6.144 -21.929 -1.581 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.884 -21.729 0.141 1.00 0.00 H new ATOM 111 N LEU A 8 -3.821 -19.757 1.067 1.00 0.00 N ATOM 112 CA LEU A 8 -3.527 -18.874 2.188 1.00 0.00 C ATOM 113 C LEU A 8 -2.464 -17.840 1.820 1.00 0.00 C ATOM 114 O LEU A 8 -2.698 -16.638 1.930 1.00 0.00 O ATOM 115 CB LEU A 8 -3.070 -19.694 3.397 1.00 0.00 C ATOM 116 CG LEU A 8 -4.195 -20.364 4.189 1.00 0.00 C ATOM 117 CD1 LEU A 8 -3.625 -21.192 5.330 1.00 0.00 C ATOM 118 CD2 LEU A 8 -5.165 -19.319 4.721 1.00 0.00 C ATOM 0 H LEU A 8 -3.450 -20.702 1.168 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.441 -18.338 2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.379 -20.464 3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.512 -19.042 4.069 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.738 -21.031 3.519 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.440 -21.661 5.882 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.969 -21.963 4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.057 -20.546 6.000 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.959 -19.812 5.282 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.633 -18.629 5.376 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.599 -18.767 3.887 1.00 0.00 H new ATOM 130 N LEU A 9 -1.300 -18.311 1.386 1.00 0.00 N ATOM 131 CA LEU A 9 -0.209 -17.415 1.008 1.00 0.00 C ATOM 132 C LEU A 9 -0.627 -16.495 -0.136 1.00 0.00 C ATOM 133 O LEU A 9 -0.421 -15.281 -0.082 1.00 0.00 O ATOM 134 CB LEU A 9 1.024 -18.224 0.600 1.00 0.00 C ATOM 135 CG LEU A 9 1.593 -19.133 1.690 1.00 0.00 C ATOM 136 CD1 LEU A 9 2.818 -19.880 1.180 1.00 0.00 C ATOM 137 CD2 LEU A 9 1.934 -18.323 2.934 1.00 0.00 C ATOM 0 H LEU A 9 -1.086 -19.303 1.287 1.00 0.00 H new ATOM 0 HA LEU A 9 0.036 -16.799 1.873 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.768 -18.836 -0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.804 -17.533 0.281 1.00 0.00 H new ATOM 0 HG LEU A 9 0.834 -19.868 1.957 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.208 -20.521 1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.540 -20.491 0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.584 -19.163 0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.338 -18.985 3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.675 -17.565 2.682 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.033 -17.839 3.311 1.00 0.00 H new ATOM 149 N TYR A 10 -1.215 -17.083 -1.170 1.00 0.00 N ATOM 150 CA TYR A 10 -1.664 -16.325 -2.331 1.00 0.00 C ATOM 151 C TYR A 10 -2.722 -15.305 -1.916 1.00 0.00 C ATOM 152 O TYR A 10 -2.538 -14.094 -2.084 1.00 0.00 O ATOM 153 CB TYR A 10 -2.213 -17.296 -3.377 1.00 0.00 C ATOM 154 CG TYR A 10 -2.365 -16.731 -4.772 1.00 0.00 C ATOM 155 CD1 TYR A 10 -2.605 -15.380 -5.003 1.00 0.00 C ATOM 156 CD2 TYR A 10 -2.281 -17.577 -5.868 1.00 0.00 C ATOM 157 CE1 TYR A 10 -2.751 -14.894 -6.289 1.00 0.00 C ATOM 158 CE2 TYR A 10 -2.427 -17.101 -7.153 1.00 0.00 C ATOM 159 CZ TYR A 10 -2.661 -15.758 -7.360 1.00 0.00 C ATOM 160 OH TYR A 10 -2.807 -15.278 -8.642 1.00 0.00 O ATOM 0 H TYR A 10 -1.393 -18.086 -1.228 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.827 -15.777 -2.764 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.554 -18.163 -3.424 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.186 -17.654 -3.040 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.678 -14.702 -4.166 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.098 -18.630 -5.711 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.935 -13.843 -6.454 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -2.359 -17.776 -7.993 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.715 -16.016 -9.280 1.00 0.00 H new ATOM 170 N MET A 11 -3.820 -15.791 -1.346 1.00 0.00 N ATOM 171 CA MET A 11 -4.884 -14.907 -0.888 1.00 0.00 C ATOM 172 C MET A 11 -4.335 -13.898 0.114 1.00 0.00 C ATOM 173 O MET A 11 -4.932 -12.845 0.342 1.00 0.00 O ATOM 174 CB MET A 11 -6.017 -15.712 -0.251 1.00 0.00 C ATOM 175 CG MET A 11 -7.186 -14.855 0.210 1.00 0.00 C ATOM 176 SD MET A 11 -7.934 -13.919 -1.136 1.00 0.00 S ATOM 177 CE MET A 11 -8.447 -15.244 -2.226 1.00 0.00 C ATOM 0 H MET A 11 -3.995 -16.784 -1.191 1.00 0.00 H new ATOM 0 HA MET A 11 -5.281 -14.372 -1.751 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.378 -16.448 -0.970 1.00 0.00 H new ATOM 0 HB3 MET A 11 -5.624 -16.265 0.602 1.00 0.00 H new ATOM 0 HG2 MET A 11 -7.942 -15.494 0.667 1.00 0.00 H new ATOM 0 HG3 MET A 11 -6.844 -14.165 0.981 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.204 -14.874 -2.917 1.00 0.00 H new ATOM 0 HE2 MET A 11 -7.587 -15.605 -2.790 1.00 0.00 H new ATOM 0 HE3 MET A 11 -8.863 -16.061 -1.636 1.00 0.00 H new ATOM 187 N ALA A 12 -3.189 -14.224 0.709 1.00 0.00 N ATOM 188 CA ALA A 12 -2.559 -13.353 1.676 1.00 0.00 C ATOM 189 C ALA A 12 -1.985 -12.123 0.993 1.00 0.00 C ATOM 190 O ALA A 12 -2.243 -11.002 1.405 1.00 0.00 O ATOM 191 CB ALA A 12 -1.473 -14.096 2.443 1.00 0.00 C ATOM 0 H ALA A 12 -2.683 -15.091 0.531 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.318 -13.028 2.388 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.012 -13.422 3.165 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.913 -14.944 2.967 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.715 -14.454 1.746 1.00 0.00 H new ATOM 197 N ALA A 13 -1.204 -12.347 -0.058 1.00 0.00 N ATOM 198 CA ALA A 13 -0.593 -11.264 -0.805 1.00 0.00 C ATOM 199 C ALA A 13 -1.605 -10.556 -1.704 1.00 0.00 C ATOM 200 O ALA A 13 -1.345 -9.458 -2.190 1.00 0.00 O ATOM 201 CB ALA A 13 0.568 -11.791 -1.634 1.00 0.00 C ATOM 0 H ALA A 13 -0.981 -13.278 -0.411 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.221 -10.533 -0.087 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.020 -10.970 -2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.313 -12.236 -0.975 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.204 -12.546 -2.331 1.00 0.00 H new ATOM 207 N ALA A 14 -2.766 -11.170 -1.917 1.00 0.00 N ATOM 208 CA ALA A 14 -3.788 -10.553 -2.754 1.00 0.00 C ATOM 209 C ALA A 14 -4.640 -9.629 -1.910 1.00 0.00 C ATOM 210 O ALA A 14 -5.007 -8.530 -2.328 1.00 0.00 O ATOM 211 CB ALA A 14 -4.644 -11.614 -3.431 1.00 0.00 C ATOM 0 H ALA A 14 -3.019 -12.079 -1.529 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.304 -9.971 -3.538 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.400 -11.131 -4.050 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.013 -12.246 -4.056 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.133 -12.225 -2.673 1.00 0.00 H new ATOM 217 N VAL A 15 -4.917 -10.086 -0.705 1.00 0.00 N ATOM 218 CA VAL A 15 -5.690 -9.330 0.256 1.00 0.00 C ATOM 219 C VAL A 15 -4.809 -8.265 0.901 1.00 0.00 C ATOM 220 O VAL A 15 -5.245 -7.142 1.160 1.00 0.00 O ATOM 221 CB VAL A 15 -6.243 -10.283 1.330 1.00 0.00 C ATOM 222 CG1 VAL A 15 -6.765 -9.515 2.539 1.00 0.00 C ATOM 223 CG2 VAL A 15 -7.334 -11.168 0.744 1.00 0.00 C ATOM 0 H VAL A 15 -4.610 -10.997 -0.365 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.522 -8.839 -0.249 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.424 -10.917 1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.148 -10.218 3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.955 -8.933 2.978 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.566 -8.845 2.226 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.715 -11.836 1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.147 -10.545 0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.923 -11.758 -0.075 1.00 0.00 H new ATOM 233 N MET A 16 -3.559 -8.641 1.142 1.00 0.00 N ATOM 234 CA MET A 16 -2.576 -7.754 1.745 1.00 0.00 C ATOM 235 C MET A 16 -2.148 -6.669 0.774 1.00 0.00 C ATOM 236 O MET A 16 -2.176 -5.485 1.106 1.00 0.00 O ATOM 237 CB MET A 16 -1.347 -8.550 2.194 1.00 0.00 C ATOM 238 CG MET A 16 -1.564 -9.337 3.476 1.00 0.00 C ATOM 239 SD MET A 16 -0.123 -10.314 3.945 1.00 0.00 S ATOM 240 CE MET A 16 -0.714 -11.090 5.448 1.00 0.00 C ATOM 0 H MET A 16 -3.200 -9.570 0.924 1.00 0.00 H new ATOM 0 HA MET A 16 -3.041 -7.283 2.611 1.00 0.00 H new ATOM 0 HB2 MET A 16 -1.061 -9.239 1.399 1.00 0.00 H new ATOM 0 HB3 MET A 16 -0.512 -7.863 2.336 1.00 0.00 H new ATOM 0 HG2 MET A 16 -1.809 -8.647 4.284 1.00 0.00 H new ATOM 0 HG3 MET A 16 -2.421 -9.998 3.351 1.00 0.00 H new ATOM 0 HE1 MET A 16 0.068 -11.729 5.859 1.00 0.00 H new ATOM 0 HE2 MET A 16 -0.975 -10.322 6.176 1.00 0.00 H new ATOM 0 HE3 MET A 16 -1.595 -11.692 5.225 1.00 0.00 H new ATOM 250 N MET A 17 -1.740 -7.069 -0.425 1.00 0.00 N ATOM 251 CA MET A 17 -1.297 -6.102 -1.414 1.00 0.00 C ATOM 252 C MET A 17 -2.470 -5.332 -1.977 1.00 0.00 C ATOM 253 O MET A 17 -2.401 -4.116 -2.123 1.00 0.00 O ATOM 254 CB MET A 17 -0.520 -6.788 -2.538 1.00 0.00 C ATOM 255 CG MET A 17 0.665 -7.610 -2.054 1.00 0.00 C ATOM 256 SD MET A 17 1.692 -8.200 -3.414 1.00 0.00 S ATOM 257 CE MET A 17 0.506 -9.177 -4.334 1.00 0.00 C ATOM 0 H MET A 17 -1.708 -8.042 -0.730 1.00 0.00 H new ATOM 0 HA MET A 17 -0.630 -5.397 -0.917 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.198 -7.437 -3.092 1.00 0.00 H new ATOM 0 HB3 MET A 17 -0.164 -6.030 -3.235 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.272 -7.006 -1.379 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.302 -8.462 -1.480 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.982 -9.581 -5.227 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.149 -9.997 -3.711 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.336 -8.549 -4.624 1.00 0.00 H new ATOM 267 N GLY A 18 -3.558 -6.021 -2.267 1.00 0.00 N ATOM 268 CA GLY A 18 -4.716 -5.326 -2.772 1.00 0.00 C ATOM 269 C GLY A 18 -5.153 -4.264 -1.788 1.00 0.00 C ATOM 270 O GLY A 18 -5.311 -3.096 -2.139 1.00 0.00 O ATOM 0 H GLY A 18 -3.660 -7.031 -2.164 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.485 -4.869 -3.734 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.529 -6.032 -2.942 1.00 0.00 H new ATOM 274 N LEU A 19 -5.320 -4.681 -0.539 1.00 0.00 N ATOM 275 CA LEU A 19 -5.729 -3.783 0.528 1.00 0.00 C ATOM 276 C LEU A 19 -4.695 -2.687 0.798 1.00 0.00 C ATOM 277 O LEU A 19 -5.066 -1.541 1.065 1.00 0.00 O ATOM 278 CB LEU A 19 -5.980 -4.578 1.811 1.00 0.00 C ATOM 279 CG LEU A 19 -6.414 -3.743 3.016 1.00 0.00 C ATOM 280 CD1 LEU A 19 -7.718 -3.019 2.721 1.00 0.00 C ATOM 281 CD2 LEU A 19 -6.558 -4.623 4.249 1.00 0.00 C ATOM 0 H LEU A 19 -5.176 -5.646 -0.241 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.648 -3.295 0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.747 -5.327 1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.069 -5.116 2.071 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.645 -2.997 3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.012 -2.430 3.590 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.582 -2.359 1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.497 -3.748 2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.867 -4.013 5.097 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.308 -5.391 4.062 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.602 -5.096 4.472 1.00 0.00 H new ATOM 293 N ALA A 20 -3.403 -3.020 0.749 1.00 0.00 N ATOM 294 CA ALA A 20 -2.380 -2.018 1.024 1.00 0.00 C ATOM 295 C ALA A 20 -2.138 -1.120 -0.166 1.00 0.00 C ATOM 296 O ALA A 20 -2.435 0.069 -0.119 1.00 0.00 O ATOM 297 CB ALA A 20 -1.086 -2.672 1.459 1.00 0.00 C ATOM 0 H ALA A 20 -3.050 -3.951 0.527 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.751 -1.397 1.839 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.339 -1.904 1.658 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.259 -3.254 2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.727 -3.330 0.668 1.00 0.00 H new ATOM 303 N ALA A 21 -1.592 -1.686 -1.232 1.00 0.00 N ATOM 304 CA ALA A 21 -1.314 -0.914 -2.430 1.00 0.00 C ATOM 305 C ALA A 21 -2.503 -0.020 -2.770 1.00 0.00 C ATOM 306 O ALA A 21 -2.328 1.153 -3.103 1.00 0.00 O ATOM 307 CB ALA A 21 -0.978 -1.832 -3.596 1.00 0.00 C ATOM 0 H ALA A 21 -1.335 -2.671 -1.291 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.448 -0.280 -2.240 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.773 -1.233 -4.483 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.099 -2.427 -3.349 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.821 -2.495 -3.792 1.00 0.00 H new ATOM 313 N ILE A 22 -3.718 -0.564 -2.649 1.00 0.00 N ATOM 314 CA ILE A 22 -4.909 0.226 -2.912 1.00 0.00 C ATOM 315 C ILE A 22 -5.057 1.287 -1.832 1.00 0.00 C ATOM 316 O ILE A 22 -5.355 2.441 -2.129 1.00 0.00 O ATOM 317 CB ILE A 22 -6.184 -0.636 -2.980 1.00 0.00 C ATOM 318 CG1 ILE A 22 -6.114 -1.593 -4.172 1.00 0.00 C ATOM 319 CG2 ILE A 22 -7.425 0.243 -3.080 1.00 0.00 C ATOM 320 CD1 ILE A 22 -6.071 -0.888 -5.511 1.00 0.00 C ATOM 0 H ILE A 22 -3.894 -1.531 -2.375 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.787 0.694 -3.889 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.252 -1.221 -2.063 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.228 -2.221 -4.072 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.979 -2.256 -4.147 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.314 -0.386 -3.127 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.484 0.890 -2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.366 0.855 -3.980 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.022 -1.628 -6.310 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.969 -0.282 -5.632 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.191 -0.246 -5.556 1.00 0.00 H new ATOM 332 N GLY A 23 -4.808 0.909 -0.573 1.00 0.00 N ATOM 333 CA GLY A 23 -4.889 1.884 0.499 1.00 0.00 C ATOM 334 C GLY A 23 -3.975 3.057 0.208 1.00 0.00 C ATOM 335 O GLY A 23 -4.281 4.203 0.537 1.00 0.00 O ATOM 0 H GLY A 23 -4.557 -0.037 -0.285 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.916 2.232 0.607 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.608 1.420 1.445 1.00 0.00 H new ATOM 339 N ALA A 24 -2.857 2.750 -0.447 1.00 0.00 N ATOM 340 CA ALA A 24 -1.880 3.751 -0.836 1.00 0.00 C ATOM 341 C ALA A 24 -2.422 4.586 -1.982 1.00 0.00 C ATOM 342 O ALA A 24 -2.458 5.812 -1.912 1.00 0.00 O ATOM 343 CB ALA A 24 -0.579 3.079 -1.248 1.00 0.00 C ATOM 0 H ALA A 24 -2.608 1.799 -0.720 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.684 4.403 0.015 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.147 3.839 -1.538 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.186 2.502 -0.411 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.764 2.414 -2.091 1.00 0.00 H new ATOM 349 N ALA A 25 -2.856 3.908 -3.041 1.00 0.00 N ATOM 350 CA ALA A 25 -3.411 4.592 -4.205 1.00 0.00 C ATOM 351 C ALA A 25 -4.574 5.491 -3.795 1.00 0.00 C ATOM 352 O ALA A 25 -4.474 6.720 -3.835 1.00 0.00 O ATOM 353 CB ALA A 25 -3.860 3.582 -5.250 1.00 0.00 C ATOM 0 H ALA A 25 -2.834 2.891 -3.117 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.632 5.217 -4.641 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.271 4.108 -6.111 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.007 2.981 -5.565 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.624 2.932 -4.823 1.00 0.00 H new ATOM 359 N ILE A 26 -5.671 4.867 -3.382 1.00 0.00 N ATOM 360 CA ILE A 26 -6.852 5.599 -2.944 1.00 0.00 C ATOM 361 C ILE A 26 -6.479 6.659 -1.928 1.00 0.00 C ATOM 362 O ILE A 26 -6.834 7.815 -2.092 1.00 0.00 O ATOM 363 CB ILE A 26 -7.908 4.662 -2.330 1.00 0.00 C ATOM 364 CG1 ILE A 26 -8.281 3.555 -3.319 1.00 0.00 C ATOM 365 CG2 ILE A 26 -9.146 5.448 -1.919 1.00 0.00 C ATOM 366 CD1 ILE A 26 -9.327 2.597 -2.789 1.00 0.00 C ATOM 0 H ILE A 26 -5.767 3.852 -3.342 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.279 6.072 -3.828 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.482 4.201 -1.439 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.649 4.010 -4.239 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.384 2.993 -3.578 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -9.881 4.769 -1.487 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.870 6.201 -1.181 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.574 5.937 -2.794 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.542 1.840 -3.543 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.954 2.114 -1.886 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.239 3.147 -2.556 1.00 0.00 H new ATOM 378 N GLY A 27 -5.752 6.267 -0.882 1.00 0.00 N ATOM 379 CA GLY A 27 -5.346 7.228 0.126 1.00 0.00 C ATOM 380 C GLY A 27 -4.779 8.480 -0.484 1.00 0.00 C ATOM 381 O GLY A 27 -5.391 9.534 -0.413 1.00 0.00 O ATOM 0 H GLY A 27 -5.441 5.310 -0.717 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.203 7.484 0.748 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.601 6.774 0.780 1.00 0.00 H new ATOM 385 N ILE A 28 -3.616 8.360 -1.111 1.00 0.00 N ATOM 386 CA ILE A 28 -2.992 9.502 -1.762 1.00 0.00 C ATOM 387 C ILE A 28 -4.047 10.301 -2.515 1.00 0.00 C ATOM 388 O ILE A 28 -3.991 11.530 -2.581 1.00 0.00 O ATOM 389 CB ILE A 28 -1.894 9.049 -2.742 1.00 0.00 C ATOM 390 CG1 ILE A 28 -0.842 8.223 -2.003 1.00 0.00 C ATOM 391 CG2 ILE A 28 -1.251 10.251 -3.419 1.00 0.00 C ATOM 392 CD1 ILE A 28 0.095 7.476 -2.927 1.00 0.00 C ATOM 0 H ILE A 28 -3.089 7.489 -1.182 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.533 10.125 -0.994 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.349 8.428 -3.514 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.258 8.883 -1.361 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.344 7.508 -1.352 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.478 9.910 -4.108 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.009 10.806 -3.971 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.805 10.898 -2.664 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.815 6.911 -2.336 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.479 6.791 -3.551 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.624 8.187 -3.561 1.00 0.00 H new ATOM 404 N GLY A 29 -5.027 9.579 -3.057 1.00 0.00 N ATOM 405 CA GLY A 29 -6.106 10.213 -3.780 1.00 0.00 C ATOM 406 C GLY A 29 -7.042 10.979 -2.866 1.00 0.00 C ATOM 407 O GLY A 29 -7.448 12.096 -3.187 1.00 0.00 O ATOM 0 H GLY A 29 -5.088 8.562 -3.005 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.691 10.893 -4.524 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.671 9.455 -4.322 1.00 0.00 H new ATOM 411 N ILE A 30 -7.384 10.391 -1.718 1.00 0.00 N ATOM 412 CA ILE A 30 -8.279 11.065 -0.778 1.00 0.00 C ATOM 413 C ILE A 30 -7.522 12.083 0.064 1.00 0.00 C ATOM 414 O ILE A 30 -7.823 13.277 0.038 1.00 0.00 O ATOM 415 CB ILE A 30 -9.027 10.078 0.148 1.00 0.00 C ATOM 416 CG1 ILE A 30 -8.103 8.972 0.665 1.00 0.00 C ATOM 417 CG2 ILE A 30 -10.223 9.479 -0.575 1.00 0.00 C ATOM 418 CD1 ILE A 30 -8.801 7.982 1.574 1.00 0.00 C ATOM 0 H ILE A 30 -7.063 9.469 -1.422 1.00 0.00 H new ATOM 0 HA ILE A 30 -9.025 11.578 -1.385 1.00 0.00 H new ATOM 0 HB ILE A 30 -9.380 10.639 1.013 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -7.678 8.437 -0.184 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.272 9.426 1.204 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.740 8.786 0.089 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.906 10.276 -0.871 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -9.882 8.945 -1.462 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -8.089 7.226 1.904 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -9.202 8.505 2.442 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.615 7.501 1.032 1.00 0.00 H new ATOM 430 N LEU A 31 -6.530 11.603 0.792 1.00 0.00 N ATOM 431 CA LEU A 31 -5.707 12.449 1.631 1.00 0.00 C ATOM 432 C LEU A 31 -5.082 13.570 0.810 1.00 0.00 C ATOM 433 O LEU A 31 -5.097 14.724 1.222 1.00 0.00 O ATOM 434 CB LEU A 31 -4.612 11.610 2.294 1.00 0.00 C ATOM 435 CG LEU A 31 -4.425 11.864 3.786 1.00 0.00 C ATOM 436 CD1 LEU A 31 -3.307 10.993 4.341 1.00 0.00 C ATOM 437 CD2 LEU A 31 -4.138 13.335 4.047 1.00 0.00 C ATOM 0 H LEU A 31 -6.274 10.616 0.817 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.334 12.896 2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.843 10.555 2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.668 11.804 1.786 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.351 11.600 4.297 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.189 11.188 5.407 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.555 9.942 4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.375 11.224 3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.008 13.496 5.117 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.228 13.627 3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.972 13.938 3.688 1.00 0.00 H new ATOM 449 N GLY A 32 -4.539 13.221 -0.356 1.00 0.00 N ATOM 450 CA GLY A 32 -3.923 14.217 -1.211 1.00 0.00 C ATOM 451 C GLY A 32 -4.942 15.085 -1.924 1.00 0.00 C ATOM 452 O GLY A 32 -4.776 16.301 -2.014 1.00 0.00 O ATOM 0 H GLY A 32 -4.516 12.269 -0.720 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.268 14.850 -0.612 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.296 13.718 -1.950 1.00 0.00 H new ATOM 456 N GLY A 33 -5.999 14.459 -2.433 1.00 0.00 N ATOM 457 CA GLY A 33 -7.030 15.201 -3.135 1.00 0.00 C ATOM 458 C GLY A 33 -7.777 16.168 -2.236 1.00 0.00 C ATOM 459 O GLY A 33 -8.424 17.098 -2.719 1.00 0.00 O ATOM 0 H GLY A 33 -6.159 13.454 -2.372 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.576 15.754 -3.958 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.739 14.500 -3.575 1.00 0.00 H new ATOM 463 N LYS A 34 -7.700 15.949 -0.925 1.00 0.00 N ATOM 464 CA LYS A 34 -8.386 16.810 0.033 1.00 0.00 C ATOM 465 C LYS A 34 -7.404 17.698 0.796 1.00 0.00 C ATOM 466 O LYS A 34 -7.779 18.757 1.300 1.00 0.00 O ATOM 467 CB LYS A 34 -9.190 15.963 1.019 1.00 0.00 C ATOM 468 CG LYS A 34 -10.233 15.079 0.355 1.00 0.00 C ATOM 469 CD LYS A 34 -11.245 15.901 -0.426 1.00 0.00 C ATOM 470 CE LYS A 34 -12.288 15.017 -1.090 1.00 0.00 C ATOM 471 NZ LYS A 34 -11.672 14.052 -2.042 1.00 0.00 N ATOM 0 H LYS A 34 -7.171 15.185 -0.504 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.060 17.457 -0.528 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.505 15.336 1.589 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.686 16.623 1.731 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.741 14.374 -0.315 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.749 14.490 1.114 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.737 16.606 0.244 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.729 16.490 -1.185 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.841 14.471 -0.326 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.008 15.640 -1.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.412 13.637 -2.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.979 14.547 -2.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.194 13.297 -1.510 1.00 0.00 H new ATOM 485 N PHE A 35 -6.152 17.261 0.889 1.00 0.00 N ATOM 486 CA PHE A 35 -5.130 18.016 1.604 1.00 0.00 C ATOM 487 C PHE A 35 -4.982 19.419 1.022 1.00 0.00 C ATOM 488 O PHE A 35 -4.969 20.409 1.754 1.00 0.00 O ATOM 489 CB PHE A 35 -3.787 17.282 1.523 1.00 0.00 C ATOM 490 CG PHE A 35 -2.984 17.263 2.800 1.00 0.00 C ATOM 491 CD1 PHE A 35 -3.450 17.859 3.967 1.00 0.00 C ATOM 492 CD2 PHE A 35 -1.756 16.624 2.829 1.00 0.00 C ATOM 493 CE1 PHE A 35 -2.702 17.817 5.128 1.00 0.00 C ATOM 494 CE2 PHE A 35 -1.008 16.578 3.987 1.00 0.00 C ATOM 495 CZ PHE A 35 -1.481 17.174 5.138 1.00 0.00 C ATOM 0 H PHE A 35 -5.821 16.388 0.478 1.00 0.00 H new ATOM 0 HA PHE A 35 -5.437 18.103 2.646 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -3.972 16.253 1.214 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.185 17.746 0.742 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.407 18.360 3.966 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.379 16.155 1.932 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.073 18.287 6.027 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.052 16.075 3.993 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.897 17.137 6.045 1.00 0.00 H new ATOM 505 N LEU A 36 -4.863 19.493 -0.301 1.00 0.00 N ATOM 506 CA LEU A 36 -4.706 20.769 -0.994 1.00 0.00 C ATOM 507 C LEU A 36 -5.724 21.797 -0.504 1.00 0.00 C ATOM 508 O LEU A 36 -5.367 22.927 -0.173 1.00 0.00 O ATOM 509 CB LEU A 36 -4.852 20.571 -2.504 1.00 0.00 C ATOM 510 CG LEU A 36 -4.701 21.842 -3.341 1.00 0.00 C ATOM 511 CD1 LEU A 36 -3.328 22.461 -3.129 1.00 0.00 C ATOM 512 CD2 LEU A 36 -4.930 21.538 -4.813 1.00 0.00 C ATOM 0 H LEU A 36 -4.872 18.680 -0.917 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.708 21.148 -0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.107 19.846 -2.834 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.831 20.136 -2.705 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.454 22.561 -3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.239 23.364 -3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.202 22.714 -2.076 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.558 21.749 -3.426 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.819 22.453 -5.395 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.200 20.802 -5.150 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.936 21.140 -4.950 1.00 0.00 H new ATOM 524 N GLU A 37 -6.990 21.397 -0.463 1.00 0.00 N ATOM 525 CA GLU A 37 -8.057 22.286 -0.014 1.00 0.00 C ATOM 526 C GLU A 37 -7.770 22.824 1.384 1.00 0.00 C ATOM 527 O GLU A 37 -8.199 23.922 1.738 1.00 0.00 O ATOM 528 CB GLU A 37 -9.399 21.554 -0.027 1.00 0.00 C ATOM 529 CG GLU A 37 -9.797 21.036 -1.399 1.00 0.00 C ATOM 530 CD GLU A 37 -9.924 22.144 -2.425 1.00 0.00 C ATOM 531 OE1 GLU A 37 -10.755 23.053 -2.219 1.00 0.00 O ATOM 532 OE2 GLU A 37 -9.191 22.103 -3.436 1.00 0.00 O ATOM 0 H GLU A 37 -7.303 20.465 -0.734 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.104 23.129 -0.703 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.353 20.716 0.669 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.175 22.228 0.336 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.056 20.313 -1.740 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.747 20.506 -1.322 1.00 0.00 H new ATOM 539 N GLY A 38 -7.040 22.044 2.176 1.00 0.00 N ATOM 540 CA GLY A 38 -6.709 22.463 3.525 1.00 0.00 C ATOM 541 C GLY A 38 -5.356 23.144 3.607 1.00 0.00 C ATOM 542 O GLY A 38 -4.739 23.187 4.671 1.00 0.00 O ATOM 0 H GLY A 38 -6.673 21.131 1.908 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.478 23.145 3.889 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.715 21.594 4.184 1.00 0.00 H new ATOM 546 N ALA A 39 -4.896 23.680 2.481 1.00 0.00 N ATOM 547 CA ALA A 39 -3.615 24.366 2.428 1.00 0.00 C ATOM 548 C ALA A 39 -3.351 24.945 1.040 1.00 0.00 C ATOM 549 O ALA A 39 -2.201 25.085 0.625 1.00 0.00 O ATOM 550 CB ALA A 39 -2.491 23.424 2.833 1.00 0.00 C ATOM 0 H ALA A 39 -5.395 23.651 1.592 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.651 25.195 3.135 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.539 23.953 2.788 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.662 23.070 3.850 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.466 22.573 2.152 1.00 0.00 H new ATOM 556 N ALA A 40 -4.422 25.281 0.327 1.00 0.00 N ATOM 557 CA ALA A 40 -4.308 25.842 -1.003 1.00 0.00 C ATOM 558 C ALA A 40 -3.979 27.329 -0.941 1.00 0.00 C ATOM 559 O ALA A 40 -3.245 27.850 -1.780 1.00 0.00 O ATOM 560 CB ALA A 40 -5.591 25.614 -1.788 1.00 0.00 C ATOM 0 H ALA A 40 -5.381 25.171 0.656 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.491 25.335 -1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.488 26.042 -2.785 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.782 24.544 -1.870 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.423 26.093 -1.272 1.00 0.00 H new ATOM 566 N ARG A 41 -4.530 28.003 0.062 1.00 0.00 N ATOM 567 CA ARG A 41 -4.298 29.433 0.242 1.00 0.00 C ATOM 568 C ARG A 41 -2.861 29.707 0.662 1.00 0.00 C ATOM 569 O ARG A 41 -2.233 30.653 0.188 1.00 0.00 O ATOM 570 CB ARG A 41 -5.254 30.004 1.289 1.00 0.00 C ATOM 571 CG ARG A 41 -6.698 30.094 0.824 1.00 0.00 C ATOM 572 CD ARG A 41 -7.266 28.729 0.465 1.00 0.00 C ATOM 573 NE ARG A 41 -8.681 28.803 0.107 1.00 0.00 N ATOM 574 CZ ARG A 41 -9.411 27.749 -0.249 1.00 0.00 C ATOM 575 NH1 ARG A 41 -8.865 26.540 -0.297 1.00 0.00 N ATOM 576 NH2 ARG A 41 -10.691 27.904 -0.558 1.00 0.00 N ATOM 0 H ARG A 41 -5.140 27.583 0.763 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.481 29.920 -0.716 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.209 29.383 2.184 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.912 30.999 1.574 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.305 30.544 1.610 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.760 30.752 -0.043 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.702 28.309 -0.368 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.140 28.050 1.309 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.135 29.716 0.131 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.881 26.415 -0.060 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.430 25.736 -0.571 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.116 28.831 -0.523 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.251 27.096 -0.831 1.00 0.00 H new ATOM 590 N GLN A 42 -2.347 28.873 1.558 1.00 0.00 N ATOM 591 CA GLN A 42 -0.984 29.029 2.046 1.00 0.00 C ATOM 592 C GLN A 42 0.028 28.759 0.933 1.00 0.00 C ATOM 593 O GLN A 42 -0.291 28.100 -0.056 1.00 0.00 O ATOM 594 CB GLN A 42 -0.730 28.090 3.229 1.00 0.00 C ATOM 595 CG GLN A 42 -1.491 28.470 4.490 1.00 0.00 C ATOM 596 CD GLN A 42 -2.996 28.448 4.298 1.00 0.00 C ATOM 597 OE1 GLN A 42 -3.576 27.414 3.969 1.00 0.00 O ATOM 598 NE2 GLN A 42 -3.636 29.593 4.506 1.00 0.00 N ATOM 0 H GLN A 42 -2.853 28.084 1.960 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.860 30.059 2.380 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -1.006 27.076 2.941 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.337 28.079 3.450 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.222 27.783 5.292 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -1.184 29.467 4.807 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.115 30.427 4.778 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.649 29.639 4.394 1.00 0.00 H new ATOM 607 N PRO A 43 1.268 29.261 1.082 1.00 0.00 N ATOM 608 CA PRO A 43 2.320 29.061 0.081 1.00 0.00 C ATOM 609 C PRO A 43 2.714 27.599 -0.045 1.00 0.00 C ATOM 610 O PRO A 43 2.539 26.822 0.889 1.00 0.00 O ATOM 611 CB PRO A 43 3.493 29.891 0.612 1.00 0.00 C ATOM 612 CG PRO A 43 3.235 30.033 2.072 1.00 0.00 C ATOM 613 CD PRO A 43 1.741 30.052 2.232 1.00 0.00 C ATOM 0 HA PRO A 43 1.996 29.360 -0.916 1.00 0.00 H new ATOM 0 HB2 PRO A 43 4.445 29.393 0.426 1.00 0.00 H new ATOM 0 HB3 PRO A 43 3.541 30.864 0.123 1.00 0.00 H new ATOM 0 HG2 PRO A 43 3.676 29.205 2.628 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.680 30.950 2.459 1.00 0.00 H new ATOM 0 HD2 PRO A 43 1.432 29.610 3.179 1.00 0.00 H new ATOM 0 HD3 PRO A 43 1.347 31.068 2.211 1.00 0.00 H new ATOM 621 N ASP A 44 3.247 27.228 -1.203 1.00 0.00 N ATOM 622 CA ASP A 44 3.664 25.852 -1.441 1.00 0.00 C ATOM 623 C ASP A 44 5.046 25.587 -0.849 1.00 0.00 C ATOM 624 O ASP A 44 5.849 24.854 -1.427 1.00 0.00 O ATOM 625 CB ASP A 44 3.670 25.550 -2.940 1.00 0.00 C ATOM 626 CG ASP A 44 2.304 25.734 -3.572 1.00 0.00 C ATOM 627 OD1 ASP A 44 1.354 25.041 -3.146 1.00 0.00 O ATOM 628 OD2 ASP A 44 2.182 26.569 -4.491 1.00 0.00 O ATOM 0 H ASP A 44 3.400 27.859 -1.990 1.00 0.00 H new ATOM 0 HA ASP A 44 2.948 25.194 -0.948 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.388 26.203 -3.437 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.007 24.526 -3.100 1.00 0.00 H new ATOM 633 N LEU A 45 5.318 26.189 0.304 1.00 0.00 N ATOM 634 CA LEU A 45 6.602 26.014 0.972 1.00 0.00 C ATOM 635 C LEU A 45 6.486 25.009 2.108 1.00 0.00 C ATOM 636 O LEU A 45 7.119 23.954 2.089 1.00 0.00 O ATOM 637 CB LEU A 45 7.111 27.361 1.500 1.00 0.00 C ATOM 638 CG LEU A 45 8.543 27.362 2.045 1.00 0.00 C ATOM 639 CD1 LEU A 45 8.982 28.779 2.379 1.00 0.00 C ATOM 640 CD2 LEU A 45 8.657 26.473 3.276 1.00 0.00 C ATOM 0 H LEU A 45 4.667 26.802 0.795 1.00 0.00 H new ATOM 0 HA LEU A 45 7.318 25.627 0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.047 28.093 0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.440 27.697 2.291 1.00 0.00 H new ATOM 0 HG LEU A 45 9.200 26.963 1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.001 28.763 2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.944 29.393 1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.315 29.198 3.133 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.683 26.491 3.644 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.987 26.840 4.053 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.383 25.451 3.013 1.00 0.00 H new ATOM 652 N ILE A 46 5.679 25.351 3.096 1.00 0.00 N ATOM 653 CA ILE A 46 5.474 24.497 4.254 1.00 0.00 C ATOM 654 C ILE A 46 4.476 23.374 3.967 1.00 0.00 C ATOM 655 O ILE A 46 4.759 22.208 4.245 1.00 0.00 O ATOM 656 CB ILE A 46 4.978 25.330 5.445 1.00 0.00 C ATOM 657 CG1 ILE A 46 6.043 26.347 5.861 1.00 0.00 C ATOM 658 CG2 ILE A 46 4.597 24.436 6.619 1.00 0.00 C ATOM 659 CD1 ILE A 46 5.628 27.216 7.028 1.00 0.00 C ATOM 0 H ILE A 46 5.150 26.223 3.120 1.00 0.00 H new ATOM 0 HA ILE A 46 6.435 24.041 4.494 1.00 0.00 H new ATOM 0 HB ILE A 46 4.084 25.870 5.135 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.958 25.816 6.122 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.277 26.985 5.009 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.249 25.053 7.448 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.802 23.755 6.315 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.467 23.860 6.935 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.432 27.912 7.267 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.730 27.775 6.764 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.423 26.588 7.895 1.00 0.00 H new ATOM 671 N PRO A 47 3.288 23.694 3.420 1.00 0.00 N ATOM 672 CA PRO A 47 2.277 22.679 3.130 1.00 0.00 C ATOM 673 C PRO A 47 2.690 21.767 1.984 1.00 0.00 C ATOM 674 O PRO A 47 2.388 20.576 1.992 1.00 0.00 O ATOM 675 CB PRO A 47 1.035 23.490 2.762 1.00 0.00 C ATOM 676 CG PRO A 47 1.559 24.798 2.287 1.00 0.00 C ATOM 677 CD PRO A 47 2.832 25.049 3.052 1.00 0.00 C ATOM 0 HA PRO A 47 2.117 22.012 3.977 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.454 22.992 1.986 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.377 23.617 3.622 1.00 0.00 H new ATOM 0 HG2 PRO A 47 1.749 24.774 1.214 1.00 0.00 H new ATOM 0 HG3 PRO A 47 0.836 25.594 2.465 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.571 25.569 2.442 1.00 0.00 H new ATOM 0 HD3 PRO A 47 2.655 25.666 3.933 1.00 0.00 H new ATOM 685 N LEU A 48 3.396 22.325 1.005 1.00 0.00 N ATOM 686 CA LEU A 48 3.860 21.539 -0.133 1.00 0.00 C ATOM 687 C LEU A 48 4.705 20.371 0.358 1.00 0.00 C ATOM 688 O LEU A 48 4.599 19.255 -0.151 1.00 0.00 O ATOM 689 CB LEU A 48 4.674 22.412 -1.091 1.00 0.00 C ATOM 690 CG LEU A 48 5.220 21.686 -2.323 1.00 0.00 C ATOM 691 CD1 LEU A 48 4.082 21.145 -3.176 1.00 0.00 C ATOM 692 CD2 LEU A 48 6.106 22.617 -3.138 1.00 0.00 C ATOM 0 H LEU A 48 3.658 23.310 0.976 1.00 0.00 H new ATOM 0 HA LEU A 48 2.994 21.153 -0.670 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.049 23.240 -1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.511 22.844 -0.542 1.00 0.00 H new ATOM 0 HG LEU A 48 5.823 20.843 -1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.492 20.633 -4.047 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.488 20.445 -2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.450 21.970 -3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.486 22.086 -4.011 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.525 23.480 -3.463 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.942 22.953 -2.525 1.00 0.00 H new ATOM 704 N LEU A 49 5.526 20.643 1.369 1.00 0.00 N ATOM 705 CA LEU A 49 6.386 19.636 1.971 1.00 0.00 C ATOM 706 C LEU A 49 5.543 18.615 2.733 1.00 0.00 C ATOM 707 O LEU A 49 5.813 17.412 2.709 1.00 0.00 O ATOM 708 CB LEU A 49 7.400 20.333 2.892 1.00 0.00 C ATOM 709 CG LEU A 49 7.660 19.664 4.241 1.00 0.00 C ATOM 710 CD1 LEU A 49 8.151 18.235 4.053 1.00 0.00 C ATOM 711 CD2 LEU A 49 8.665 20.474 5.048 1.00 0.00 C ATOM 0 H LEU A 49 5.612 21.567 1.791 1.00 0.00 H new ATOM 0 HA LEU A 49 6.932 19.096 1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.348 20.411 2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.053 21.350 3.076 1.00 0.00 H new ATOM 0 HG LEU A 49 6.720 19.628 4.792 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.329 17.780 5.027 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.397 17.659 3.516 1.00 0.00 H new ATOM 0 HD13 LEU A 49 9.079 18.241 3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.840 19.985 6.006 1.00 0.00 H new ATOM 0 HD22 LEU A 49 9.604 20.541 4.498 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.272 21.476 5.218 1.00 0.00 H new ATOM 723 N ARG A 50 4.507 19.106 3.391 1.00 0.00 N ATOM 724 CA ARG A 50 3.605 18.249 4.141 1.00 0.00 C ATOM 725 C ARG A 50 2.811 17.372 3.185 1.00 0.00 C ATOM 726 O ARG A 50 2.827 16.142 3.273 1.00 0.00 O ATOM 727 CB ARG A 50 2.653 19.107 4.969 1.00 0.00 C ATOM 728 CG ARG A 50 1.633 18.310 5.758 1.00 0.00 C ATOM 729 CD ARG A 50 0.474 19.190 6.184 1.00 0.00 C ATOM 730 NE ARG A 50 0.922 20.365 6.929 1.00 0.00 N ATOM 731 CZ ARG A 50 0.100 21.291 7.418 1.00 0.00 C ATOM 732 NH1 ARG A 50 -1.211 21.184 7.243 1.00 0.00 N ATOM 733 NH2 ARG A 50 0.591 22.327 8.085 1.00 0.00 N ATOM 0 H ARG A 50 4.269 20.097 3.421 1.00 0.00 H new ATOM 0 HA ARG A 50 4.186 17.612 4.808 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.236 19.716 5.660 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.128 19.793 4.305 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.264 17.483 5.152 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.107 17.874 6.638 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.081 19.510 5.302 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.213 18.611 6.800 1.00 0.00 H new ATOM 0 HE ARG A 50 1.923 20.482 7.083 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.594 20.389 6.731 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.836 21.897 7.620 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.598 22.414 8.223 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.038 23.037 8.460 1.00 0.00 H new ATOM 747 N THR A 51 2.121 18.028 2.268 1.00 0.00 N ATOM 748 CA THR A 51 1.310 17.354 1.270 1.00 0.00 C ATOM 749 C THR A 51 2.088 16.239 0.582 1.00 0.00 C ATOM 750 O THR A 51 1.567 15.143 0.379 1.00 0.00 O ATOM 751 CB THR A 51 0.842 18.371 0.238 1.00 0.00 C ATOM 752 OG1 THR A 51 0.036 19.367 0.843 1.00 0.00 O ATOM 753 CG2 THR A 51 0.050 17.766 -0.902 1.00 0.00 C ATOM 0 H THR A 51 2.108 19.045 2.195 1.00 0.00 H new ATOM 0 HA THR A 51 0.452 16.903 1.768 1.00 0.00 H new ATOM 0 HB THR A 51 1.758 18.796 -0.173 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.607 20.001 1.325 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.248 18.552 -1.595 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.666 17.035 -1.425 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.839 17.275 -0.507 1.00 0.00 H new ATOM 761 N GLN A 52 3.335 16.521 0.225 1.00 0.00 N ATOM 762 CA GLN A 52 4.164 15.524 -0.437 1.00 0.00 C ATOM 763 C GLN A 52 4.423 14.360 0.501 1.00 0.00 C ATOM 764 O GLN A 52 4.334 13.194 0.118 1.00 0.00 O ATOM 765 CB GLN A 52 5.485 16.126 -0.909 1.00 0.00 C ATOM 766 CG GLN A 52 6.277 16.809 0.187 1.00 0.00 C ATOM 767 CD GLN A 52 7.653 17.250 -0.275 1.00 0.00 C ATOM 768 OE1 GLN A 52 7.782 18.048 -1.203 1.00 0.00 O ATOM 769 NE2 GLN A 52 8.689 16.729 0.371 1.00 0.00 N ATOM 0 H GLN A 52 3.789 17.421 0.381 1.00 0.00 H new ATOM 0 HA GLN A 52 3.627 15.165 -1.315 1.00 0.00 H new ATOM 0 HB2 GLN A 52 6.096 15.337 -1.347 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.282 16.848 -1.700 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.722 17.677 0.544 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.382 16.128 1.032 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.535 16.071 1.135 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.639 16.987 0.104 1.00 0.00 H new ATOM 778 N PHE A 53 4.739 14.695 1.737 1.00 0.00 N ATOM 779 CA PHE A 53 5.007 13.693 2.758 1.00 0.00 C ATOM 780 C PHE A 53 3.840 12.722 2.904 1.00 0.00 C ATOM 781 O PHE A 53 4.038 11.543 3.197 1.00 0.00 O ATOM 782 CB PHE A 53 5.282 14.378 4.094 1.00 0.00 C ATOM 783 CG PHE A 53 5.522 13.419 5.222 1.00 0.00 C ATOM 784 CD1 PHE A 53 4.472 12.742 5.820 1.00 0.00 C ATOM 785 CD2 PHE A 53 6.806 13.188 5.672 1.00 0.00 C ATOM 786 CE1 PHE A 53 4.703 11.853 6.854 1.00 0.00 C ATOM 787 CE2 PHE A 53 7.047 12.303 6.705 1.00 0.00 C ATOM 788 CZ PHE A 53 5.993 11.635 7.298 1.00 0.00 C ATOM 0 H PHE A 53 4.817 15.658 2.063 1.00 0.00 H new ATOM 0 HA PHE A 53 5.884 13.123 2.451 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.152 15.026 3.988 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.436 15.018 4.346 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.462 12.910 5.475 1.00 0.00 H new ATOM 0 HD2 PHE A 53 7.634 13.706 5.210 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.877 11.330 7.313 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.057 12.134 7.048 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.177 10.944 8.107 1.00 0.00 H new ATOM 798 N PHE A 54 2.626 13.221 2.706 1.00 0.00 N ATOM 799 CA PHE A 54 1.439 12.383 2.827 1.00 0.00 C ATOM 800 C PHE A 54 1.209 11.561 1.564 1.00 0.00 C ATOM 801 O PHE A 54 0.906 10.366 1.637 1.00 0.00 O ATOM 802 CB PHE A 54 0.210 13.235 3.142 1.00 0.00 C ATOM 803 CG PHE A 54 0.156 13.696 4.572 1.00 0.00 C ATOM 804 CD1 PHE A 54 1.236 14.346 5.148 1.00 0.00 C ATOM 805 CD2 PHE A 54 -0.978 13.480 5.339 1.00 0.00 C ATOM 806 CE1 PHE A 54 1.186 14.771 6.462 1.00 0.00 C ATOM 807 CE2 PHE A 54 -1.033 13.903 6.653 1.00 0.00 C ATOM 808 CZ PHE A 54 0.050 14.550 7.215 1.00 0.00 C ATOM 0 H PHE A 54 2.438 14.194 2.463 1.00 0.00 H new ATOM 0 HA PHE A 54 1.604 11.690 3.652 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.203 14.106 2.486 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.689 12.660 2.919 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.127 14.522 4.563 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.828 12.975 4.905 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.035 15.276 6.900 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.922 13.728 7.240 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.008 14.883 8.242 1.00 0.00 H new ATOM 818 N ILE A 55 1.369 12.190 0.404 1.00 0.00 N ATOM 819 CA ILE A 55 1.182 11.480 -0.856 1.00 0.00 C ATOM 820 C ILE A 55 2.205 10.363 -0.970 1.00 0.00 C ATOM 821 O ILE A 55 1.909 9.278 -1.469 1.00 0.00 O ATOM 822 CB ILE A 55 1.287 12.409 -2.082 1.00 0.00 C ATOM 823 CG1 ILE A 55 2.665 13.058 -2.142 1.00 0.00 C ATOM 824 CG2 ILE A 55 0.198 13.470 -2.036 1.00 0.00 C ATOM 825 CD1 ILE A 55 2.853 13.969 -3.335 1.00 0.00 C ATOM 0 H ILE A 55 1.623 13.173 0.310 1.00 0.00 H new ATOM 0 HA ILE A 55 0.172 11.069 -0.849 1.00 0.00 H new ATOM 0 HB ILE A 55 1.149 11.812 -2.983 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.828 13.630 -1.229 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.425 12.277 -2.168 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.285 14.118 -2.908 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.780 12.988 -2.038 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.308 14.065 -1.129 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.856 14.396 -3.313 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.722 13.397 -4.254 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.116 14.772 -3.299 1.00 0.00 H new ATOM 837 N VAL A 56 3.408 10.624 -0.469 1.00 0.00 N ATOM 838 CA VAL A 56 4.460 9.624 -0.481 1.00 0.00 C ATOM 839 C VAL A 56 4.195 8.616 0.619 1.00 0.00 C ATOM 840 O VAL A 56 4.355 7.415 0.421 1.00 0.00 O ATOM 841 CB VAL A 56 5.856 10.248 -0.297 1.00 0.00 C ATOM 842 CG1 VAL A 56 6.935 9.175 -0.358 1.00 0.00 C ATOM 843 CG2 VAL A 56 6.104 11.326 -1.343 1.00 0.00 C ATOM 0 H VAL A 56 3.674 11.516 -0.052 1.00 0.00 H new ATOM 0 HA VAL A 56 4.452 9.135 -1.455 1.00 0.00 H new ATOM 0 HB VAL A 56 5.897 10.715 0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.914 9.636 -0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.768 8.445 0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.897 8.675 -1.326 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.095 11.754 -1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.042 10.888 -2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.352 12.109 -1.244 1.00 0.00 H new ATOM 853 N MET A 57 3.745 9.110 1.771 1.00 0.00 N ATOM 854 CA MET A 57 3.407 8.230 2.880 1.00 0.00 C ATOM 855 C MET A 57 2.495 7.122 2.374 1.00 0.00 C ATOM 856 O MET A 57 2.573 5.978 2.821 1.00 0.00 O ATOM 857 CB MET A 57 2.719 9.018 4.000 1.00 0.00 C ATOM 858 CG MET A 57 2.157 8.142 5.110 1.00 0.00 C ATOM 859 SD MET A 57 1.424 9.102 6.449 1.00 0.00 S ATOM 860 CE MET A 57 0.884 7.795 7.547 1.00 0.00 C ATOM 0 H MET A 57 3.608 10.104 1.957 1.00 0.00 H new ATOM 0 HA MET A 57 4.319 7.793 3.287 1.00 0.00 H new ATOM 0 HB2 MET A 57 3.434 9.720 4.430 1.00 0.00 H new ATOM 0 HB3 MET A 57 1.910 9.610 3.572 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.404 7.473 4.693 1.00 0.00 H new ATOM 0 HG3 MET A 57 2.953 7.515 5.511 1.00 0.00 H new ATOM 0 HE1 MET A 57 0.409 8.231 8.426 1.00 0.00 H new ATOM 0 HE2 MET A 57 0.170 7.156 7.028 1.00 0.00 H new ATOM 0 HE3 MET A 57 1.744 7.202 7.857 1.00 0.00 H new ATOM 870 N GLY A 58 1.646 7.477 1.414 1.00 0.00 N ATOM 871 CA GLY A 58 0.745 6.509 0.830 1.00 0.00 C ATOM 872 C GLY A 58 1.451 5.612 -0.166 1.00 0.00 C ATOM 873 O GLY A 58 1.406 4.389 -0.055 1.00 0.00 O ATOM 0 H GLY A 58 1.569 8.420 1.032 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.305 5.900 1.619 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.075 7.029 0.334 1.00 0.00 H new ATOM 877 N LEU A 59 2.118 6.229 -1.134 1.00 0.00 N ATOM 878 CA LEU A 59 2.859 5.497 -2.158 1.00 0.00 C ATOM 879 C LEU A 59 3.840 4.506 -1.525 1.00 0.00 C ATOM 880 O LEU A 59 4.267 3.545 -2.162 1.00 0.00 O ATOM 881 CB LEU A 59 3.603 6.495 -3.054 1.00 0.00 C ATOM 882 CG LEU A 59 4.377 5.900 -4.235 1.00 0.00 C ATOM 883 CD1 LEU A 59 5.636 5.185 -3.762 1.00 0.00 C ATOM 884 CD2 LEU A 59 3.489 4.955 -5.029 1.00 0.00 C ATOM 0 H LEU A 59 2.162 7.243 -1.233 1.00 0.00 H new ATOM 0 HA LEU A 59 2.156 4.923 -2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.879 7.210 -3.445 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.302 7.056 -2.434 1.00 0.00 H new ATOM 0 HG LEU A 59 4.683 6.719 -4.886 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.165 4.773 -4.621 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.283 5.892 -3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.362 4.377 -3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.054 4.541 -5.864 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.150 4.145 -4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.626 5.501 -5.410 1.00 0.00 H new ATOM 896 N VAL A 60 4.187 4.751 -0.265 1.00 0.00 N ATOM 897 CA VAL A 60 5.111 3.896 0.464 1.00 0.00 C ATOM 898 C VAL A 60 4.372 2.818 1.250 1.00 0.00 C ATOM 899 O VAL A 60 4.992 1.903 1.785 1.00 0.00 O ATOM 900 CB VAL A 60 5.983 4.718 1.432 1.00 0.00 C ATOM 901 CG1 VAL A 60 6.939 3.814 2.195 1.00 0.00 C ATOM 902 CG2 VAL A 60 6.745 5.798 0.679 1.00 0.00 C ATOM 0 H VAL A 60 3.837 5.543 0.274 1.00 0.00 H new ATOM 0 HA VAL A 60 5.750 3.417 -0.278 1.00 0.00 H new ATOM 0 HB VAL A 60 5.328 5.204 2.155 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.545 4.415 2.873 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.369 3.083 2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.589 3.295 1.491 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.355 6.368 1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.388 5.335 -0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.038 6.466 0.187 1.00 0.00 H new ATOM 912 N ASP A 61 3.051 2.933 1.323 1.00 0.00 N ATOM 913 CA ASP A 61 2.240 1.958 2.044 1.00 0.00 C ATOM 914 C ASP A 61 2.064 0.687 1.216 1.00 0.00 C ATOM 915 O ASP A 61 1.785 -0.385 1.752 1.00 0.00 O ATOM 916 CB ASP A 61 0.878 2.557 2.381 1.00 0.00 C ATOM 917 CG ASP A 61 0.032 1.636 3.240 1.00 0.00 C ATOM 918 OD1 ASP A 61 -0.273 0.514 2.784 1.00 0.00 O ATOM 919 OD2 ASP A 61 -0.324 2.038 4.367 1.00 0.00 O ATOM 0 H ASP A 61 2.519 3.690 0.893 1.00 0.00 H new ATOM 0 HA ASP A 61 2.753 1.698 2.970 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.020 3.504 2.902 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.344 2.778 1.457 1.00 0.00 H new ATOM 924 N ALA A 62 2.236 0.823 -0.094 1.00 0.00 N ATOM 925 CA ALA A 62 2.106 -0.309 -1.018 1.00 0.00 C ATOM 926 C ALA A 62 3.405 -1.096 -1.099 1.00 0.00 C ATOM 927 O ALA A 62 3.448 -2.293 -0.818 1.00 0.00 O ATOM 928 CB ALA A 62 1.741 0.196 -2.404 1.00 0.00 C ATOM 0 H ALA A 62 2.467 1.708 -0.546 1.00 0.00 H new ATOM 0 HA ALA A 62 1.320 -0.965 -0.643 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.646 -0.649 -3.086 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.794 0.733 -2.358 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.521 0.867 -2.764 1.00 0.00 H new ATOM 934 N ILE A 63 4.462 -0.392 -1.475 1.00 0.00 N ATOM 935 CA ILE A 63 5.799 -0.962 -1.602 1.00 0.00 C ATOM 936 C ILE A 63 6.119 -2.029 -0.556 1.00 0.00 C ATOM 937 O ILE A 63 6.801 -3.010 -0.860 1.00 0.00 O ATOM 938 CB ILE A 63 6.857 0.157 -1.505 1.00 0.00 C ATOM 939 CG1 ILE A 63 7.076 0.777 -2.878 1.00 0.00 C ATOM 940 CG2 ILE A 63 8.176 -0.366 -0.943 1.00 0.00 C ATOM 941 CD1 ILE A 63 7.609 -0.221 -3.879 1.00 0.00 C ATOM 0 H ILE A 63 4.417 0.601 -1.703 1.00 0.00 H new ATOM 0 HA ILE A 63 5.824 -1.450 -2.576 1.00 0.00 H new ATOM 0 HB ILE A 63 6.486 0.918 -0.818 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.135 1.187 -3.243 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.774 1.610 -2.791 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.897 0.449 -0.889 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.011 -0.771 0.055 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.563 -1.150 -1.593 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.748 0.269 -4.843 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.564 -0.612 -3.529 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.899 -1.041 -3.988 1.00 0.00 H new ATOM 953 N PRO A 64 5.668 -1.857 0.693 1.00 0.00 N ATOM 954 CA PRO A 64 5.960 -2.804 1.754 1.00 0.00 C ATOM 955 C PRO A 64 5.028 -4.000 1.720 1.00 0.00 C ATOM 956 O PRO A 64 5.474 -5.142 1.623 1.00 0.00 O ATOM 957 CB PRO A 64 5.765 -1.974 3.040 1.00 0.00 C ATOM 958 CG PRO A 64 5.435 -0.585 2.578 1.00 0.00 C ATOM 959 CD PRO A 64 4.867 -0.747 1.200 1.00 0.00 C ATOM 0 HA PRO A 64 6.960 -3.230 1.669 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.963 -2.384 3.653 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.668 -1.980 3.651 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.716 -0.109 3.246 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.324 0.046 2.565 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.803 -0.982 1.218 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.984 0.154 0.598 1.00 0.00 H new ATOM 967 N MET A 65 3.730 -3.736 1.780 1.00 0.00 N ATOM 968 CA MET A 65 2.750 -4.801 1.732 1.00 0.00 C ATOM 969 C MET A 65 2.910 -5.579 0.434 1.00 0.00 C ATOM 970 O MET A 65 2.598 -6.766 0.363 1.00 0.00 O ATOM 971 CB MET A 65 1.343 -4.229 1.838 1.00 0.00 C ATOM 972 CG MET A 65 0.305 -5.255 2.264 1.00 0.00 C ATOM 973 SD MET A 65 0.737 -6.090 3.804 1.00 0.00 S ATOM 974 CE MET A 65 0.827 -4.698 4.927 1.00 0.00 C ATOM 0 H MET A 65 3.337 -2.798 1.861 1.00 0.00 H new ATOM 0 HA MET A 65 2.910 -5.474 2.574 1.00 0.00 H new ATOM 0 HB2 MET A 65 1.346 -3.407 2.554 1.00 0.00 H new ATOM 0 HB3 MET A 65 1.055 -3.811 0.874 1.00 0.00 H new ATOM 0 HG2 MET A 65 -0.660 -4.761 2.382 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.189 -5.997 1.474 1.00 0.00 H new ATOM 0 HE1 MET A 65 0.837 -5.060 5.955 1.00 0.00 H new ATOM 0 HE2 MET A 65 1.738 -4.132 4.732 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.039 -4.054 4.778 1.00 0.00 H new ATOM 984 N ILE A 66 3.423 -4.895 -0.589 1.00 0.00 N ATOM 985 CA ILE A 66 3.657 -5.518 -1.884 1.00 0.00 C ATOM 986 C ILE A 66 4.847 -6.457 -1.802 1.00 0.00 C ATOM 987 O ILE A 66 4.725 -7.635 -2.114 1.00 0.00 O ATOM 988 CB ILE A 66 3.898 -4.467 -2.993 1.00 0.00 C ATOM 989 CG1 ILE A 66 2.635 -3.636 -3.232 1.00 0.00 C ATOM 990 CG2 ILE A 66 4.344 -5.137 -4.287 1.00 0.00 C ATOM 991 CD1 ILE A 66 1.498 -4.423 -3.846 1.00 0.00 C ATOM 0 H ILE A 66 3.683 -3.910 -0.542 1.00 0.00 H new ATOM 0 HA ILE A 66 2.761 -6.081 -2.145 1.00 0.00 H new ATOM 0 HB ILE A 66 4.694 -3.801 -2.660 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.303 -3.214 -2.283 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.880 -2.798 -3.885 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.507 -4.378 -5.052 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.271 -5.683 -4.113 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.573 -5.830 -4.622 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.637 -3.769 -3.986 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.811 -4.822 -4.811 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.225 -5.245 -3.184 1.00 0.00 H new ATOM 1003 N ALA A 67 5.993 -5.948 -1.360 1.00 0.00 N ATOM 1004 CA ALA A 67 7.175 -6.789 -1.222 1.00 0.00 C ATOM 1005 C ALA A 67 6.844 -7.979 -0.332 1.00 0.00 C ATOM 1006 O ALA A 67 7.332 -9.091 -0.542 1.00 0.00 O ATOM 1007 CB ALA A 67 8.339 -5.992 -0.651 1.00 0.00 C ATOM 0 H ALA A 67 6.127 -4.972 -1.095 1.00 0.00 H new ATOM 0 HA ALA A 67 7.475 -7.152 -2.205 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.211 -6.639 -0.556 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.573 -5.162 -1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.067 -5.603 0.330 1.00 0.00 H new ATOM 1013 N VAL A 68 5.982 -7.735 0.653 1.00 0.00 N ATOM 1014 CA VAL A 68 5.553 -8.781 1.568 1.00 0.00 C ATOM 1015 C VAL A 68 4.652 -9.773 0.850 1.00 0.00 C ATOM 1016 O VAL A 68 4.803 -10.984 1.010 1.00 0.00 O ATOM 1017 CB VAL A 68 4.811 -8.201 2.787 1.00 0.00 C ATOM 1018 CG1 VAL A 68 4.421 -9.307 3.757 1.00 0.00 C ATOM 1019 CG2 VAL A 68 5.663 -7.148 3.481 1.00 0.00 C ATOM 0 H VAL A 68 5.569 -6.820 0.835 1.00 0.00 H new ATOM 0 HA VAL A 68 6.448 -9.290 1.924 1.00 0.00 H new ATOM 0 HB VAL A 68 3.897 -7.722 2.435 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.898 -8.875 4.610 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.767 -10.019 3.253 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.318 -9.820 4.103 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.122 -6.750 4.339 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.596 -7.599 3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.882 -6.339 2.783 1.00 0.00 H new ATOM 1029 N GLY A 69 3.731 -9.264 0.031 1.00 0.00 N ATOM 1030 CA GLY A 69 2.863 -10.153 -0.711 1.00 0.00 C ATOM 1031 C GLY A 69 3.665 -10.963 -1.699 1.00 0.00 C ATOM 1032 O GLY A 69 3.363 -12.124 -1.973 1.00 0.00 O ATOM 0 H GLY A 69 3.575 -8.268 -0.127 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.340 -10.819 -0.024 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.103 -9.575 -1.236 1.00 0.00 H new ATOM 1036 N LEU A 70 4.709 -10.332 -2.214 1.00 0.00 N ATOM 1037 CA LEU A 70 5.611 -10.947 -3.159 1.00 0.00 C ATOM 1038 C LEU A 70 6.341 -12.104 -2.502 1.00 0.00 C ATOM 1039 O LEU A 70 6.533 -13.153 -3.108 1.00 0.00 O ATOM 1040 CB LEU A 70 6.607 -9.900 -3.652 1.00 0.00 C ATOM 1041 CG LEU A 70 6.855 -9.924 -5.150 1.00 0.00 C ATOM 1042 CD1 LEU A 70 7.838 -8.834 -5.551 1.00 0.00 C ATOM 1043 CD2 LEU A 70 7.356 -11.292 -5.589 1.00 0.00 C ATOM 0 H LEU A 70 4.951 -9.369 -1.981 1.00 0.00 H new ATOM 0 HA LEU A 70 5.047 -11.335 -4.007 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.244 -8.911 -3.372 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.556 -10.048 -3.137 1.00 0.00 H new ATOM 0 HG LEU A 70 5.909 -9.730 -5.656 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.001 -8.869 -6.628 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.433 -7.860 -5.277 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.785 -8.991 -5.035 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.528 -11.288 -6.665 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.289 -11.520 -5.074 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.611 -12.049 -5.343 1.00 0.00 H new ATOM 1055 N GLY A 71 6.731 -11.906 -1.248 1.00 0.00 N ATOM 1056 CA GLY A 71 7.422 -12.950 -0.515 1.00 0.00 C ATOM 1057 C GLY A 71 6.519 -14.135 -0.256 1.00 0.00 C ATOM 1058 O GLY A 71 6.802 -15.255 -0.688 1.00 0.00 O ATOM 0 H GLY A 71 6.581 -11.042 -0.726 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.297 -13.274 -1.079 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.783 -12.552 0.433 1.00 0.00 H new ATOM 1062 N LEU A 72 5.409 -13.882 0.433 1.00 0.00 N ATOM 1063 CA LEU A 72 4.444 -14.933 0.727 1.00 0.00 C ATOM 1064 C LEU A 72 4.009 -15.612 -0.566 1.00 0.00 C ATOM 1065 O LEU A 72 3.767 -16.823 -0.608 1.00 0.00 O ATOM 1066 CB LEU A 72 3.228 -14.351 1.457 1.00 0.00 C ATOM 1067 CG LEU A 72 3.532 -13.724 2.819 1.00 0.00 C ATOM 1068 CD1 LEU A 72 2.259 -13.181 3.451 1.00 0.00 C ATOM 1069 CD2 LEU A 72 4.194 -14.740 3.737 1.00 0.00 C ATOM 0 H LEU A 72 5.158 -12.962 0.796 1.00 0.00 H new ATOM 0 HA LEU A 72 4.914 -15.673 1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.768 -13.595 0.820 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.492 -15.143 1.594 1.00 0.00 H new ATOM 0 HG LEU A 72 4.223 -12.894 2.671 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.494 -12.739 4.419 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.825 -12.422 2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.545 -13.993 3.587 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.403 -14.277 4.701 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.527 -15.590 3.880 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.127 -15.082 3.289 1.00 0.00 H new ATOM 1081 N TYR A 73 3.934 -14.824 -1.633 1.00 0.00 N ATOM 1082 CA TYR A 73 3.551 -15.357 -2.928 1.00 0.00 C ATOM 1083 C TYR A 73 4.664 -16.248 -3.461 1.00 0.00 C ATOM 1084 O TYR A 73 4.407 -17.314 -4.024 1.00 0.00 O ATOM 1085 CB TYR A 73 3.233 -14.226 -3.904 1.00 0.00 C ATOM 1086 CG TYR A 73 2.622 -14.706 -5.199 1.00 0.00 C ATOM 1087 CD1 TYR A 73 3.409 -15.274 -6.193 1.00 0.00 C ATOM 1088 CD2 TYR A 73 1.254 -14.601 -5.420 1.00 0.00 C ATOM 1089 CE1 TYR A 73 2.851 -15.720 -7.375 1.00 0.00 C ATOM 1090 CE2 TYR A 73 0.690 -15.046 -6.600 1.00 0.00 C ATOM 1091 CZ TYR A 73 1.492 -15.603 -7.574 1.00 0.00 C ATOM 1092 OH TYR A 73 0.933 -16.045 -8.751 1.00 0.00 O ATOM 0 H TYR A 73 4.132 -13.823 -1.624 1.00 0.00 H new ATOM 0 HA TYR A 73 2.648 -15.957 -2.816 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.549 -13.525 -3.426 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.149 -13.678 -4.124 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.474 -15.368 -6.039 1.00 0.00 H new ATOM 0 HD2 TYR A 73 0.623 -14.166 -4.659 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.476 -16.158 -8.139 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -0.375 -14.958 -6.759 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.035 -15.891 -8.732 1.00 0.00 H new ATOM 1102 N VAL A 74 5.911 -15.831 -3.238 1.00 0.00 N ATOM 1103 CA VAL A 74 7.054 -16.629 -3.658 1.00 0.00 C ATOM 1104 C VAL A 74 6.940 -18.007 -3.029 1.00 0.00 C ATOM 1105 O VAL A 74 7.265 -19.020 -3.649 1.00 0.00 O ATOM 1106 CB VAL A 74 8.398 -15.985 -3.254 1.00 0.00 C ATOM 1107 CG1 VAL A 74 9.564 -16.900 -3.606 1.00 0.00 C ATOM 1108 CG2 VAL A 74 8.566 -14.627 -3.922 1.00 0.00 C ATOM 0 H VAL A 74 6.150 -14.955 -2.774 1.00 0.00 H new ATOM 0 HA VAL A 74 7.042 -16.694 -4.746 1.00 0.00 H new ATOM 0 HB VAL A 74 8.392 -15.839 -2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.500 -16.426 -3.312 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.456 -17.847 -3.077 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.571 -17.083 -4.681 1.00 0.00 H new ATOM 0 HG21 VAL A 74 9.519 -14.190 -3.624 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.545 -14.749 -5.005 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.754 -13.968 -3.616 1.00 0.00 H new ATOM 1118 N MET A 75 6.432 -18.033 -1.796 1.00 0.00 N ATOM 1119 CA MET A 75 6.227 -19.286 -1.089 1.00 0.00 C ATOM 1120 C MET A 75 5.208 -20.118 -1.853 1.00 0.00 C ATOM 1121 O MET A 75 5.439 -21.293 -2.139 1.00 0.00 O ATOM 1122 CB MET A 75 5.749 -19.033 0.341 1.00 0.00 C ATOM 1123 CG MET A 75 6.715 -18.200 1.167 1.00 0.00 C ATOM 1124 SD MET A 75 8.339 -18.969 1.323 1.00 0.00 S ATOM 1125 CE MET A 75 7.910 -20.506 2.134 1.00 0.00 C ATOM 0 H MET A 75 6.158 -17.201 -1.273 1.00 0.00 H new ATOM 0 HA MET A 75 7.172 -19.826 -1.029 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.783 -18.528 0.308 1.00 0.00 H new ATOM 0 HB3 MET A 75 5.592 -19.991 0.837 1.00 0.00 H new ATOM 0 HG2 MET A 75 6.825 -17.217 0.708 1.00 0.00 H new ATOM 0 HG3 MET A 75 6.295 -18.043 2.160 1.00 0.00 H new ATOM 0 HE1 MET A 75 8.803 -20.942 2.583 1.00 0.00 H new ATOM 0 HE2 MET A 75 7.170 -20.313 2.911 1.00 0.00 H new ATOM 0 HE3 MET A 75 7.495 -21.200 1.403 1.00 0.00 H new ATOM 1135 N PHE A 76 4.091 -19.487 -2.218 1.00 0.00 N ATOM 1136 CA PHE A 76 3.057 -20.168 -2.995 1.00 0.00 C ATOM 1137 C PHE A 76 3.680 -20.843 -4.215 1.00 0.00 C ATOM 1138 O PHE A 76 3.257 -21.923 -4.627 1.00 0.00 O ATOM 1139 CB PHE A 76 1.965 -19.179 -3.431 1.00 0.00 C ATOM 1140 CG PHE A 76 1.170 -19.636 -4.627 1.00 0.00 C ATOM 1141 CD1 PHE A 76 1.708 -19.551 -5.902 1.00 0.00 C ATOM 1142 CD2 PHE A 76 -0.103 -20.163 -4.478 1.00 0.00 C ATOM 1143 CE1 PHE A 76 0.994 -19.980 -7.004 1.00 0.00 C ATOM 1144 CE2 PHE A 76 -0.823 -20.592 -5.578 1.00 0.00 C ATOM 1145 CZ PHE A 76 -0.273 -20.500 -6.842 1.00 0.00 C ATOM 0 H PHE A 76 3.881 -18.515 -1.990 1.00 0.00 H new ATOM 0 HA PHE A 76 2.595 -20.930 -2.366 1.00 0.00 H new ATOM 0 HB2 PHE A 76 1.284 -19.013 -2.596 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.428 -18.219 -3.660 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.699 -19.144 -6.035 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.537 -20.239 -3.492 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.427 -19.908 -7.991 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.815 -20.999 -5.449 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.834 -20.835 -7.702 1.00 0.00 H new ATOM 1155 N ALA A 77 4.690 -20.192 -4.784 1.00 0.00 N ATOM 1156 CA ALA A 77 5.377 -20.720 -5.956 1.00 0.00 C ATOM 1157 C ALA A 77 6.269 -21.903 -5.590 1.00 0.00 C ATOM 1158 O ALA A 77 6.591 -22.734 -6.439 1.00 0.00 O ATOM 1159 CB ALA A 77 6.198 -19.626 -6.622 1.00 0.00 C ATOM 0 H ALA A 77 5.050 -19.298 -4.452 1.00 0.00 H new ATOM 0 HA ALA A 77 4.622 -21.074 -6.657 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.706 -20.033 -7.496 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.540 -18.814 -6.931 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.937 -19.246 -5.917 1.00 0.00 H new ATOM 1165 N VAL A 78 6.667 -21.973 -4.324 1.00 0.00 N ATOM 1166 CA VAL A 78 7.525 -23.055 -3.851 1.00 0.00 C ATOM 1167 C VAL A 78 6.719 -24.100 -3.084 1.00 0.00 C ATOM 1168 O VAL A 78 6.517 -25.215 -3.563 1.00 0.00 O ATOM 1169 CB VAL A 78 8.653 -22.521 -2.949 1.00 0.00 C ATOM 1170 CG1 VAL A 78 9.580 -23.648 -2.518 1.00 0.00 C ATOM 1171 CG2 VAL A 78 9.432 -21.425 -3.662 1.00 0.00 C ATOM 0 H VAL A 78 6.410 -21.294 -3.607 1.00 0.00 H new ATOM 0 HA VAL A 78 7.967 -23.520 -4.732 1.00 0.00 H new ATOM 0 HB VAL A 78 8.202 -22.094 -2.053 1.00 0.00 H new ATOM 0 HG11 VAL A 78 10.369 -23.247 -1.882 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.011 -24.395 -1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 78 10.025 -24.111 -3.399 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.225 -21.059 -3.010 1.00 0.00 H new ATOM 0 HG22 VAL A 78 9.870 -21.826 -4.576 1.00 0.00 H new ATOM 0 HG23 VAL A 78 8.760 -20.604 -3.911 1.00 0.00 H new ATOM 1181 N ALA A 79 6.261 -23.732 -1.892 1.00 0.00 N ATOM 1182 CA ALA A 79 5.479 -24.637 -1.060 1.00 0.00 C ATOM 1183 C ALA A 79 4.858 -23.900 0.121 1.00 0.00 C ATOM 1184 O ALA A 79 4.679 -22.668 0.020 1.00 0.00 O ATOM 1185 CB ALA A 79 6.347 -25.786 -0.571 1.00 0.00 C ATOM 1186 OXT ALA A 79 4.556 -24.561 1.137 1.00 0.00 O ATOM 0 H ALA A 79 6.419 -22.812 -1.481 1.00 0.00 H new ATOM 0 HA ALA A 79 4.669 -25.041 -1.668 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.750 -26.454 0.049 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.737 -26.337 -1.427 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.177 -25.391 0.015 1.00 0.00 H new TER 1192 ALA A 79