USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 617 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 156:sc= 1.15 (180deg=0.559) USER MOD Single : A 3 ASN : amide:sc= 0.296 X(o=0.3,f=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 130:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 51 THR OG1 : rot -79:sc= 0.491 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.049 -31.577 1.113 1.00 0.00 N ATOM 2 CA MET A 1 13.642 -31.184 0.862 1.00 0.00 C ATOM 3 C MET A 1 13.560 -30.445 -0.504 1.00 0.00 C ATOM 4 O MET A 1 13.900 -29.262 -0.602 1.00 0.00 O ATOM 5 CB MET A 1 13.078 -30.328 2.031 1.00 0.00 C ATOM 6 CG MET A 1 12.762 -31.083 3.336 1.00 0.00 C ATOM 7 SD MET A 1 14.277 -31.595 4.174 1.00 0.00 S ATOM 8 CE MET A 1 13.579 -32.482 5.578 1.00 0.00 C ATOM 0 H1 MET A 1 15.201 -31.690 2.136 1.00 0.00 H new ATOM 0 H2 MET A 1 15.249 -32.477 0.632 1.00 0.00 H new ATOM 0 H3 MET A 1 15.686 -30.840 0.748 1.00 0.00 H new ATOM 0 HA MET A 1 13.017 -32.075 0.812 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.797 -29.540 2.256 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.166 -29.839 1.689 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.176 -30.444 3.996 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.152 -31.958 3.115 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.385 -32.867 6.203 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.958 -31.805 6.164 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.971 -33.312 5.218 1.00 0.00 H new ATOM 19 N GLU A 2 13.085 -31.145 -1.551 1.00 0.00 N ATOM 20 CA GLU A 2 12.873 -30.548 -2.903 1.00 0.00 C ATOM 21 C GLU A 2 11.378 -30.142 -3.061 1.00 0.00 C ATOM 22 O GLU A 2 11.062 -28.958 -2.914 1.00 0.00 O ATOM 23 CB GLU A 2 13.422 -31.482 -4.019 1.00 0.00 C ATOM 24 CG GLU A 2 14.964 -31.616 -4.056 1.00 0.00 C ATOM 25 CD GLU A 2 15.459 -32.529 -5.177 1.00 0.00 C ATOM 26 OE1 GLU A 2 15.648 -33.736 -5.038 1.00 0.00 O ATOM 27 OE2 GLU A 2 15.662 -31.852 -6.348 1.00 0.00 O ATOM 0 H GLU A 2 12.836 -32.133 -1.495 1.00 0.00 H new ATOM 0 HA GLU A 2 13.450 -29.630 -3.010 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.989 -32.474 -3.889 1.00 0.00 H new ATOM 0 HB3 GLU A 2 13.081 -31.110 -4.985 1.00 0.00 H new ATOM 0 HG2 GLU A 2 15.406 -30.627 -4.179 1.00 0.00 H new ATOM 0 HG3 GLU A 2 15.312 -32.004 -3.099 1.00 0.00 H new ATOM 35 N ASN A 3 10.450 -31.100 -3.294 1.00 0.00 N ATOM 36 CA ASN A 3 8.987 -30.821 -3.367 1.00 0.00 C ATOM 37 C ASN A 3 8.303 -30.249 -2.081 1.00 0.00 C ATOM 38 O ASN A 3 7.407 -29.411 -2.184 1.00 0.00 O ATOM 39 CB ASN A 3 8.277 -32.080 -3.941 1.00 0.00 C ATOM 40 CG ASN A 3 6.804 -31.884 -4.343 1.00 0.00 C ATOM 41 OD1 ASN A 3 5.890 -32.129 -3.559 1.00 0.00 O ATOM 42 ND2 ASN A 3 6.533 -31.436 -5.552 1.00 0.00 N ATOM 0 H ASN A 3 10.687 -32.082 -3.436 1.00 0.00 H new ATOM 0 HA ASN A 3 8.869 -29.973 -4.041 1.00 0.00 H new ATOM 0 HB2 ASN A 3 8.832 -32.422 -4.815 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.330 -32.876 -3.198 1.00 0.00 H new ATOM 0 HD21 ASN A 3 5.564 -31.292 -5.837 1.00 0.00 H new ATOM 0 HD22 ASN A 3 7.292 -31.233 -6.203 1.00 0.00 H new ATOM 49 N LEU A 4 8.762 -30.675 -0.900 1.00 0.00 N ATOM 50 CA LEU A 4 8.353 -30.086 0.411 1.00 0.00 C ATOM 51 C LEU A 4 8.738 -28.579 0.588 1.00 0.00 C ATOM 52 O LEU A 4 7.860 -27.776 0.909 1.00 0.00 O ATOM 53 CB LEU A 4 8.884 -30.961 1.584 1.00 0.00 C ATOM 54 CG LEU A 4 8.319 -32.404 1.714 1.00 0.00 C ATOM 55 CD1 LEU A 4 9.129 -33.210 2.746 1.00 0.00 C ATOM 56 CD2 LEU A 4 6.826 -32.430 2.098 1.00 0.00 C ATOM 0 H LEU A 4 9.431 -31.440 -0.809 1.00 0.00 H new ATOM 0 HA LEU A 4 7.263 -30.094 0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.968 -31.031 1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.680 -30.434 2.516 1.00 0.00 H new ATOM 0 HG LEU A 4 8.412 -32.861 0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.719 -34.217 2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 4 10.170 -33.265 2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 4 9.072 -32.719 3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.488 -33.463 2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.688 -31.932 3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.245 -31.913 1.334 1.00 0.00 H new ATOM 68 N ASN A 5 10.006 -28.188 0.327 1.00 0.00 N ATOM 69 CA ASN A 5 10.428 -26.756 0.265 1.00 0.00 C ATOM 70 C ASN A 5 9.687 -25.866 -0.796 1.00 0.00 C ATOM 71 O ASN A 5 9.356 -24.715 -0.495 1.00 0.00 O ATOM 72 CB ASN A 5 11.972 -26.730 0.096 1.00 0.00 C ATOM 73 CG ASN A 5 12.629 -25.364 0.350 1.00 0.00 C ATOM 74 OD1 ASN A 5 12.694 -24.883 1.479 1.00 0.00 O ATOM 75 ND2 ASN A 5 13.125 -24.704 -0.678 1.00 0.00 N ATOM 0 H ASN A 5 10.766 -28.845 0.153 1.00 0.00 H new ATOM 0 HA ASN A 5 10.126 -26.284 1.200 1.00 0.00 H new ATOM 0 HB2 ASN A 5 12.410 -27.459 0.778 1.00 0.00 H new ATOM 0 HB3 ASN A 5 12.217 -27.052 -0.916 1.00 0.00 H new ATOM 0 HD21 ASN A 5 13.563 -23.794 -0.536 1.00 0.00 H new ATOM 0 HD22 ASN A 5 13.071 -25.104 -1.615 1.00 0.00 H new ATOM 82 N MET A 6 9.413 -26.391 -2.004 1.00 0.00 N ATOM 83 CA MET A 6 8.601 -25.695 -3.042 1.00 0.00 C ATOM 84 C MET A 6 7.094 -25.540 -2.682 1.00 0.00 C ATOM 85 O MET A 6 6.561 -24.446 -2.853 1.00 0.00 O ATOM 86 CB MET A 6 8.770 -26.392 -4.420 1.00 0.00 C ATOM 87 CG MET A 6 10.182 -26.324 -5.024 1.00 0.00 C ATOM 88 SD MET A 6 10.163 -27.047 -6.675 1.00 0.00 S ATOM 89 CE MET A 6 11.917 -26.965 -7.076 1.00 0.00 C ATOM 0 H MET A 6 9.745 -27.310 -2.297 1.00 0.00 H new ATOM 0 HA MET A 6 8.992 -24.679 -3.093 1.00 0.00 H new ATOM 0 HB2 MET A 6 8.488 -27.440 -4.315 1.00 0.00 H new ATOM 0 HB3 MET A 6 8.070 -25.942 -5.124 1.00 0.00 H new ATOM 0 HG2 MET A 6 10.519 -25.289 -5.072 1.00 0.00 H new ATOM 0 HG3 MET A 6 10.887 -26.860 -4.389 1.00 0.00 H new ATOM 0 HE1 MET A 6 12.082 -27.375 -8.072 1.00 0.00 H new ATOM 0 HE2 MET A 6 12.248 -25.927 -7.052 1.00 0.00 H new ATOM 0 HE3 MET A 6 12.484 -27.543 -6.347 1.00 0.00 H new ATOM 99 N ASP A 7 6.423 -26.592 -2.173 1.00 0.00 N ATOM 100 CA ASP A 7 5.017 -26.536 -1.701 1.00 0.00 C ATOM 101 C ASP A 7 4.758 -25.625 -0.455 1.00 0.00 C ATOM 102 O ASP A 7 3.715 -24.969 -0.393 1.00 0.00 O ATOM 103 CB ASP A 7 4.535 -27.992 -1.472 1.00 0.00 C ATOM 104 CG ASP A 7 3.014 -28.159 -1.469 1.00 0.00 C ATOM 105 OD1 ASP A 7 2.341 -28.261 -2.491 1.00 0.00 O ATOM 106 OD2 ASP A 7 2.494 -28.169 -0.205 1.00 0.00 O ATOM 0 H ASP A 7 6.843 -27.516 -2.075 1.00 0.00 H new ATOM 0 HA ASP A 7 4.432 -26.046 -2.479 1.00 0.00 H new ATOM 0 HB2 ASP A 7 4.957 -28.629 -2.250 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.930 -28.347 -0.520 1.00 0.00 H new ATOM 112 N LEU A 8 5.697 -25.566 0.512 1.00 0.00 N ATOM 113 CA LEU A 8 5.655 -24.552 1.607 1.00 0.00 C ATOM 114 C LEU A 8 5.884 -23.069 1.153 1.00 0.00 C ATOM 115 O LEU A 8 5.134 -22.186 1.582 1.00 0.00 O ATOM 116 CB LEU A 8 6.440 -25.006 2.872 1.00 0.00 C ATOM 117 CG LEU A 8 7.994 -25.036 2.839 1.00 0.00 C ATOM 118 CD1 LEU A 8 8.647 -23.690 3.215 1.00 0.00 C ATOM 119 CD2 LEU A 8 8.550 -26.126 3.778 1.00 0.00 C ATOM 0 H LEU A 8 6.493 -26.202 0.564 1.00 0.00 H new ATOM 0 HA LEU A 8 4.614 -24.514 1.929 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.143 -24.353 3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.099 -26.010 3.125 1.00 0.00 H new ATOM 0 HG LEU A 8 8.250 -25.256 1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.732 -23.787 3.170 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.322 -22.920 2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.349 -23.411 4.226 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.639 -26.123 3.734 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.228 -25.925 4.800 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.177 -27.101 3.465 1.00 0.00 H new ATOM 131 N LEU A 9 6.862 -22.803 0.256 1.00 0.00 N ATOM 132 CA LEU A 9 7.043 -21.474 -0.396 1.00 0.00 C ATOM 133 C LEU A 9 5.842 -21.010 -1.284 1.00 0.00 C ATOM 134 O LEU A 9 5.371 -19.881 -1.139 1.00 0.00 O ATOM 135 CB LEU A 9 8.382 -21.479 -1.191 1.00 0.00 C ATOM 136 CG LEU A 9 9.041 -20.090 -1.415 1.00 0.00 C ATOM 137 CD1 LEU A 9 9.648 -19.507 -0.122 1.00 0.00 C ATOM 138 CD2 LEU A 9 10.134 -20.170 -2.495 1.00 0.00 C ATOM 0 H LEU A 9 7.548 -23.498 -0.039 1.00 0.00 H new ATOM 0 HA LEU A 9 7.080 -20.731 0.401 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.093 -22.117 -0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.203 -21.936 -2.164 1.00 0.00 H new ATOM 0 HG LEU A 9 8.244 -19.423 -1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 9 10.095 -18.536 -0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.865 -19.389 0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 9 10.414 -20.183 0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.581 -19.186 -2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 9 10.903 -20.877 -2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.694 -20.505 -3.434 1.00 0.00 H new ATOM 150 N TYR A 10 5.331 -21.912 -2.149 1.00 0.00 N ATOM 151 CA TYR A 10 4.011 -21.809 -2.835 1.00 0.00 C ATOM 152 C TYR A 10 2.855 -21.296 -1.948 1.00 0.00 C ATOM 153 O TYR A 10 2.185 -20.326 -2.314 1.00 0.00 O ATOM 154 CB TYR A 10 3.677 -23.228 -3.415 1.00 0.00 C ATOM 155 CG TYR A 10 2.434 -23.446 -4.309 1.00 0.00 C ATOM 156 CD1 TYR A 10 1.124 -23.263 -3.845 1.00 0.00 C ATOM 157 CD2 TYR A 10 2.622 -23.966 -5.587 1.00 0.00 C ATOM 158 CE1 TYR A 10 0.037 -23.575 -4.656 1.00 0.00 C ATOM 159 CE2 TYR A 10 1.541 -24.211 -6.424 1.00 0.00 C ATOM 160 CZ TYR A 10 0.246 -24.016 -5.959 1.00 0.00 C ATOM 161 OH TYR A 10 -0.822 -24.242 -6.787 1.00 0.00 O ATOM 0 H TYR A 10 5.836 -22.761 -2.402 1.00 0.00 H new ATOM 0 HA TYR A 10 4.100 -21.055 -3.617 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.545 -23.552 -3.989 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.585 -23.907 -2.567 1.00 0.00 H new ATOM 0 HD1 TYR A 10 0.957 -22.877 -2.850 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.622 -24.182 -5.932 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.968 -23.475 -4.274 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.707 -24.553 -7.435 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.676 -23.785 -7.641 1.00 0.00 H new ATOM 171 N MET A 11 2.581 -22.002 -0.833 1.00 0.00 N ATOM 172 CA MET A 11 1.377 -21.751 -0.034 1.00 0.00 C ATOM 173 C MET A 11 1.467 -20.451 0.821 1.00 0.00 C ATOM 174 O MET A 11 0.513 -19.677 0.795 1.00 0.00 O ATOM 175 CB MET A 11 1.013 -23.029 0.763 1.00 0.00 C ATOM 176 CG MET A 11 -0.394 -23.011 1.386 1.00 0.00 C ATOM 177 SD MET A 11 -0.696 -24.577 2.228 1.00 0.00 S ATOM 178 CE MET A 11 -2.363 -24.287 2.846 1.00 0.00 C ATOM 0 H MET A 11 3.177 -22.746 -0.471 1.00 0.00 H new ATOM 0 HA MET A 11 0.544 -21.542 -0.705 1.00 0.00 H new ATOM 0 HB2 MET A 11 1.093 -23.891 0.100 1.00 0.00 H new ATOM 0 HB3 MET A 11 1.747 -23.169 1.557 1.00 0.00 H new ATOM 0 HG2 MET A 11 -0.481 -22.184 2.091 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.145 -22.851 0.612 1.00 0.00 H new ATOM 0 HE1 MET A 11 -2.705 -25.164 3.395 1.00 0.00 H new ATOM 0 HE2 MET A 11 -2.360 -23.422 3.509 1.00 0.00 H new ATOM 0 HE3 MET A 11 -3.034 -24.099 2.008 1.00 0.00 H new ATOM 188 N ALA A 12 2.607 -20.160 1.487 1.00 0.00 N ATOM 189 CA ALA A 12 2.949 -18.791 1.954 1.00 0.00 C ATOM 190 C ALA A 12 2.819 -17.618 0.926 1.00 0.00 C ATOM 191 O ALA A 12 2.380 -16.534 1.315 1.00 0.00 O ATOM 192 CB ALA A 12 4.368 -18.855 2.554 1.00 0.00 C ATOM 0 H ALA A 12 3.313 -20.859 1.716 1.00 0.00 H new ATOM 0 HA ALA A 12 2.186 -18.523 2.685 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.658 -17.866 2.910 1.00 0.00 H new ATOM 0 HB2 ALA A 12 4.379 -19.558 3.387 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.071 -19.186 1.790 1.00 0.00 H new ATOM 198 N ALA A 13 3.149 -17.830 -0.364 1.00 0.00 N ATOM 199 CA ALA A 13 2.895 -16.869 -1.457 1.00 0.00 C ATOM 200 C ALA A 13 1.407 -16.613 -1.809 1.00 0.00 C ATOM 201 O ALA A 13 0.989 -15.462 -1.740 1.00 0.00 O ATOM 202 CB ALA A 13 3.736 -17.374 -2.640 1.00 0.00 C ATOM 0 H ALA A 13 3.606 -18.685 -0.680 1.00 0.00 H new ATOM 0 HA ALA A 13 3.191 -15.869 -1.141 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.600 -16.710 -3.493 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.789 -17.390 -2.357 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.417 -18.381 -2.910 1.00 0.00 H new ATOM 208 N ALA A 14 0.598 -17.634 -2.129 1.00 0.00 N ATOM 209 CA ALA A 14 -0.891 -17.500 -2.189 1.00 0.00 C ATOM 210 C ALA A 14 -1.632 -17.032 -0.889 1.00 0.00 C ATOM 211 O ALA A 14 -2.599 -16.275 -0.988 1.00 0.00 O ATOM 212 CB ALA A 14 -1.478 -18.810 -2.732 1.00 0.00 C ATOM 0 H ALA A 14 0.937 -18.569 -2.353 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.073 -16.661 -2.860 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.564 -18.729 -2.782 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.082 -19.000 -3.730 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.206 -19.632 -2.071 1.00 0.00 H new ATOM 218 N VAL A 15 -1.163 -17.406 0.317 1.00 0.00 N ATOM 219 CA VAL A 15 -1.577 -16.762 1.603 1.00 0.00 C ATOM 220 C VAL A 15 -1.244 -15.226 1.653 1.00 0.00 C ATOM 221 O VAL A 15 -2.144 -14.423 1.915 1.00 0.00 O ATOM 222 CB VAL A 15 -1.110 -17.598 2.842 1.00 0.00 C ATOM 223 CG1 VAL A 15 -1.295 -16.908 4.216 1.00 0.00 C ATOM 224 CG2 VAL A 15 -1.801 -18.983 2.943 1.00 0.00 C ATOM 0 H VAL A 15 -0.487 -18.160 0.440 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.666 -16.779 1.653 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.044 -17.705 2.643 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.941 -17.570 5.006 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.723 -15.980 4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.351 -16.687 4.373 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.432 -19.510 3.823 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.879 -18.846 3.027 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.578 -19.567 2.050 1.00 0.00 H new ATOM 234 N MET A 16 0.006 -14.817 1.349 1.00 0.00 N ATOM 235 CA MET A 16 0.365 -13.395 1.059 1.00 0.00 C ATOM 236 C MET A 16 -0.446 -12.703 -0.096 1.00 0.00 C ATOM 237 O MET A 16 -0.828 -11.546 0.068 1.00 0.00 O ATOM 238 CB MET A 16 1.903 -13.331 0.858 1.00 0.00 C ATOM 239 CG MET A 16 2.499 -11.913 0.769 1.00 0.00 C ATOM 240 SD MET A 16 4.301 -11.998 0.672 1.00 0.00 S ATOM 241 CE MET A 16 4.749 -11.979 2.420 1.00 0.00 C ATOM 0 H MET A 16 0.800 -15.455 1.295 1.00 0.00 H new ATOM 0 HA MET A 16 0.065 -12.794 1.917 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.383 -13.857 1.683 1.00 0.00 H new ATOM 0 HB3 MET A 16 2.156 -13.871 -0.054 1.00 0.00 H new ATOM 0 HG2 MET A 16 2.104 -11.399 -0.108 1.00 0.00 H new ATOM 0 HG3 MET A 16 2.202 -11.330 1.641 1.00 0.00 H new ATOM 0 HE1 MET A 16 5.834 -12.027 2.518 1.00 0.00 H new ATOM 0 HE2 MET A 16 4.383 -11.061 2.879 1.00 0.00 H new ATOM 0 HE3 MET A 16 4.301 -12.838 2.920 1.00 0.00 H new ATOM 251 N MET A 17 -0.757 -13.386 -1.217 1.00 0.00 N ATOM 252 CA MET A 17 -1.740 -12.889 -2.235 1.00 0.00 C ATOM 253 C MET A 17 -3.210 -12.624 -1.745 1.00 0.00 C ATOM 254 O MET A 17 -3.852 -11.700 -2.254 1.00 0.00 O ATOM 255 CB MET A 17 -1.611 -13.726 -3.549 1.00 0.00 C ATOM 256 CG MET A 17 -2.755 -14.651 -4.003 1.00 0.00 C ATOM 257 SD MET A 17 -4.104 -13.689 -4.716 1.00 0.00 S ATOM 258 CE MET A 17 -5.253 -15.018 -5.115 1.00 0.00 C ATOM 0 H MET A 17 -0.346 -14.289 -1.452 1.00 0.00 H new ATOM 0 HA MET A 17 -1.450 -11.862 -2.456 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.425 -13.023 -4.361 1.00 0.00 H new ATOM 0 HB3 MET A 17 -0.718 -14.343 -3.451 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.383 -15.365 -4.737 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.122 -15.228 -3.154 1.00 0.00 H new ATOM 0 HE1 MET A 17 -6.151 -14.599 -5.568 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.782 -15.708 -5.815 1.00 0.00 H new ATOM 0 HE3 MET A 17 -5.522 -15.552 -4.204 1.00 0.00 H new ATOM 268 N GLY A 18 -3.729 -13.400 -0.771 1.00 0.00 N ATOM 269 CA GLY A 18 -5.029 -13.105 -0.100 1.00 0.00 C ATOM 270 C GLY A 18 -5.041 -12.044 1.031 1.00 0.00 C ATOM 271 O GLY A 18 -6.054 -11.365 1.200 1.00 0.00 O ATOM 0 H GLY A 18 -3.270 -14.243 -0.424 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.735 -12.784 -0.866 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.410 -14.038 0.314 1.00 0.00 H new ATOM 275 N LEU A 19 -3.932 -11.887 1.777 1.00 0.00 N ATOM 276 CA LEU A 19 -3.681 -10.755 2.718 1.00 0.00 C ATOM 277 C LEU A 19 -4.169 -9.308 2.307 1.00 0.00 C ATOM 278 O LEU A 19 -4.856 -8.722 3.149 1.00 0.00 O ATOM 279 CB LEU A 19 -2.170 -10.826 3.081 1.00 0.00 C ATOM 280 CG LEU A 19 -1.641 -9.881 4.195 1.00 0.00 C ATOM 281 CD1 LEU A 19 -2.235 -10.200 5.581 1.00 0.00 C ATOM 282 CD2 LEU A 19 -0.103 -9.943 4.257 1.00 0.00 C ATOM 0 H LEU A 19 -3.161 -12.554 1.749 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.331 -10.901 3.581 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.946 -11.850 3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.599 -10.625 2.174 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.962 -8.873 3.933 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.829 -9.508 6.319 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.319 -10.097 5.545 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.977 -11.221 5.861 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.257 -9.277 5.041 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.211 -10.964 4.475 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.313 -9.633 3.298 1.00 0.00 H new ATOM 294 N PRO A 20 -3.926 -8.705 1.099 1.00 0.00 N ATOM 295 CA PRO A 20 -4.576 -7.428 0.666 1.00 0.00 C ATOM 296 C PRO A 20 -6.132 -7.300 0.659 1.00 0.00 C ATOM 297 O PRO A 20 -6.619 -6.168 0.744 1.00 0.00 O ATOM 298 CB PRO A 20 -3.984 -7.218 -0.730 1.00 0.00 C ATOM 299 CG PRO A 20 -3.473 -8.568 -1.210 1.00 0.00 C ATOM 300 CD PRO A 20 -3.002 -9.233 0.076 1.00 0.00 C ATOM 0 HA PRO A 20 -4.365 -6.668 1.418 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.738 -6.827 -1.413 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.174 -6.489 -0.699 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -4.257 -9.146 -1.699 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.661 -8.460 -1.929 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -3.057 -10.320 0.009 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.966 -8.980 0.302 1.00 0.00 H new ATOM 308 N ALA A 21 -6.910 -8.404 0.608 1.00 0.00 N ATOM 309 CA ALA A 21 -8.369 -8.369 0.922 1.00 0.00 C ATOM 310 C ALA A 21 -8.774 -7.843 2.343 1.00 0.00 C ATOM 311 O ALA A 21 -9.810 -7.189 2.469 1.00 0.00 O ATOM 312 CB ALA A 21 -8.950 -9.771 0.659 1.00 0.00 C ATOM 0 H ALA A 21 -6.561 -9.328 0.355 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.799 -7.616 0.262 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.017 -9.770 0.882 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.798 -10.038 -0.387 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.447 -10.499 1.296 1.00 0.00 H new ATOM 318 N ILE A 22 -7.946 -8.079 3.380 1.00 0.00 N ATOM 319 CA ILE A 22 -7.980 -7.299 4.656 1.00 0.00 C ATOM 320 C ILE A 22 -7.110 -5.994 4.509 1.00 0.00 C ATOM 321 O ILE A 22 -7.627 -4.901 4.752 1.00 0.00 O ATOM 322 CB ILE A 22 -7.586 -8.204 5.885 1.00 0.00 C ATOM 323 CG1 ILE A 22 -8.495 -9.464 6.053 1.00 0.00 C ATOM 324 CG2 ILE A 22 -7.579 -7.407 7.220 1.00 0.00 C ATOM 325 CD1 ILE A 22 -7.944 -10.564 6.978 1.00 0.00 C ATOM 0 H ILE A 22 -7.234 -8.810 3.368 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.998 -6.969 4.862 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.576 -8.546 5.657 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -9.463 -9.143 6.437 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.671 -9.897 5.068 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.302 -8.071 8.039 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.858 -6.592 7.154 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.572 -6.998 7.405 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.653 -11.391 7.023 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.992 -10.924 6.588 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.796 -10.158 7.979 1.00 0.00 H new ATOM 337 N GLY A 23 -5.811 -6.106 4.147 1.00 0.00 N ATOM 338 CA GLY A 23 -4.830 -4.988 4.183 1.00 0.00 C ATOM 339 C GLY A 23 -5.172 -3.679 3.439 1.00 0.00 C ATOM 340 O GLY A 23 -5.361 -2.651 4.092 1.00 0.00 O ATOM 0 H GLY A 23 -5.407 -6.983 3.818 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.652 -4.737 5.229 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.888 -5.361 3.780 1.00 0.00 H new ATOM 344 N ALA A 24 -5.261 -3.711 2.098 1.00 0.00 N ATOM 345 CA ALA A 24 -5.709 -2.533 1.306 1.00 0.00 C ATOM 346 C ALA A 24 -7.233 -2.189 1.274 1.00 0.00 C ATOM 347 O ALA A 24 -7.582 -1.072 0.883 1.00 0.00 O ATOM 348 CB ALA A 24 -5.154 -2.633 -0.118 1.00 0.00 C ATOM 0 H ALA A 24 -5.032 -4.530 1.535 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.296 -1.690 1.860 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.482 -1.770 -0.698 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.065 -2.654 -0.083 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.520 -3.546 -0.588 1.00 0.00 H new ATOM 354 N ALA A 25 -8.124 -3.092 1.724 1.00 0.00 N ATOM 355 CA ALA A 25 -9.543 -2.747 2.041 1.00 0.00 C ATOM 356 C ALA A 25 -9.711 -1.781 3.259 1.00 0.00 C ATOM 357 O ALA A 25 -10.315 -0.713 3.113 1.00 0.00 O ATOM 358 CB ALA A 25 -10.336 -4.055 2.214 1.00 0.00 C ATOM 0 H ALA A 25 -7.895 -4.074 1.880 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.946 -2.177 1.204 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.375 -3.822 2.446 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.291 -4.633 1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.904 -4.637 3.028 1.00 0.00 H new ATOM 364 N ILE A 26 -9.092 -2.103 4.417 1.00 0.00 N ATOM 365 CA ILE A 26 -8.770 -1.113 5.493 1.00 0.00 C ATOM 366 C ILE A 26 -7.881 0.095 4.996 1.00 0.00 C ATOM 367 O ILE A 26 -8.079 1.209 5.486 1.00 0.00 O ATOM 368 CB ILE A 26 -8.224 -1.896 6.754 1.00 0.00 C ATOM 369 CG1 ILE A 26 -9.331 -2.619 7.589 1.00 0.00 C ATOM 370 CG2 ILE A 26 -7.421 -1.029 7.765 1.00 0.00 C ATOM 371 CD1 ILE A 26 -10.021 -3.841 6.958 1.00 0.00 C ATOM 0 H ILE A 26 -8.798 -3.054 4.641 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.680 -0.599 5.803 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.564 -2.622 6.279 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.886 -2.935 8.532 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.101 -1.886 7.830 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.088 -1.652 8.595 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.554 -0.597 7.265 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.057 -0.229 8.144 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.764 -4.237 7.650 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -10.511 -3.544 6.031 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.277 -4.609 6.745 1.00 0.00 H new ATOM 383 N GLY A 27 -6.961 -0.093 4.025 1.00 0.00 N ATOM 384 CA GLY A 27 -6.254 1.006 3.325 1.00 0.00 C ATOM 385 C GLY A 27 -7.141 2.113 2.729 1.00 0.00 C ATOM 386 O GLY A 27 -7.152 3.216 3.271 1.00 0.00 O ATOM 0 H GLY A 27 -6.684 -1.020 3.701 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.557 1.466 4.025 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.659 0.573 2.521 1.00 0.00 H new ATOM 390 N ILE A 28 -7.938 1.801 1.688 1.00 0.00 N ATOM 391 CA ILE A 28 -8.950 2.760 1.130 1.00 0.00 C ATOM 392 C ILE A 28 -9.941 3.294 2.229 1.00 0.00 C ATOM 393 O ILE A 28 -9.845 4.464 2.615 1.00 0.00 O ATOM 394 CB ILE A 28 -9.675 2.191 -0.151 1.00 0.00 C ATOM 395 CG1 ILE A 28 -8.741 1.685 -1.287 1.00 0.00 C ATOM 396 CG2 ILE A 28 -10.714 3.171 -0.763 1.00 0.00 C ATOM 397 CD1 ILE A 28 -7.708 2.692 -1.817 1.00 0.00 C ATOM 0 H ILE A 28 -7.912 0.901 1.209 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.399 3.636 0.787 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.187 1.320 0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -8.208 0.806 -0.926 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.362 1.360 -2.122 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.173 2.714 -1.640 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.484 3.393 -0.024 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.215 4.095 -1.055 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.116 2.226 -2.605 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.223 3.564 -2.219 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.051 3.001 -1.004 1.00 0.00 H new ATOM 409 N GLY A 29 -10.844 2.430 2.736 1.00 0.00 N ATOM 410 CA GLY A 29 -11.932 2.836 3.665 1.00 0.00 C ATOM 411 C GLY A 29 -11.545 3.557 4.975 1.00 0.00 C ATOM 412 O GLY A 29 -12.050 4.648 5.242 1.00 0.00 O ATOM 0 H GLY A 29 -10.845 1.434 2.517 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -12.613 3.487 3.116 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.493 1.940 3.932 1.00 0.00 H new ATOM 416 N ILE A 30 -10.653 2.954 5.773 1.00 0.00 N ATOM 417 CA ILE A 30 -10.158 3.560 7.045 1.00 0.00 C ATOM 418 C ILE A 30 -9.010 4.579 6.728 1.00 0.00 C ATOM 419 O ILE A 30 -9.171 5.761 7.055 1.00 0.00 O ATOM 420 CB ILE A 30 -9.864 2.436 8.114 1.00 0.00 C ATOM 421 CG1 ILE A 30 -11.134 1.784 8.751 1.00 0.00 C ATOM 422 CG2 ILE A 30 -8.980 2.907 9.297 1.00 0.00 C ATOM 423 CD1 ILE A 30 -12.070 1.005 7.812 1.00 0.00 C ATOM 0 H ILE A 30 -10.249 2.040 5.569 1.00 0.00 H new ATOM 0 HA ILE A 30 -10.920 4.167 7.534 1.00 0.00 H new ATOM 0 HB ILE A 30 -9.337 1.700 7.507 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.806 1.107 9.540 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.715 2.573 9.229 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -8.824 2.078 9.987 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.017 3.250 8.918 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -9.476 3.725 9.819 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -12.909 0.606 8.383 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.444 1.672 7.036 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -11.522 0.183 7.351 1.00 0.00 H new ATOM 435 N LEU A 31 -7.883 4.154 6.104 1.00 0.00 N ATOM 436 CA LEU A 31 -6.711 5.047 5.862 1.00 0.00 C ATOM 437 C LEU A 31 -6.848 6.084 4.693 1.00 0.00 C ATOM 438 O LEU A 31 -5.945 6.912 4.537 1.00 0.00 O ATOM 439 CB LEU A 31 -5.383 4.232 5.772 1.00 0.00 C ATOM 440 CG LEU A 31 -5.100 3.174 6.874 1.00 0.00 C ATOM 441 CD1 LEU A 31 -3.828 2.370 6.557 1.00 0.00 C ATOM 442 CD2 LEU A 31 -4.979 3.786 8.285 1.00 0.00 C ATOM 0 H LEU A 31 -7.757 3.203 5.759 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.681 5.682 6.748 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.369 3.723 4.809 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.555 4.941 5.770 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.965 2.511 6.875 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.655 1.637 7.345 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.951 1.856 5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.975 3.047 6.497 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.781 2.995 9.009 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.160 4.505 8.301 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.910 4.290 8.544 1.00 0.00 H new ATOM 454 N GLY A 32 -7.966 6.118 3.936 1.00 0.00 N ATOM 455 CA GLY A 32 -8.424 7.334 3.227 1.00 0.00 C ATOM 456 C GLY A 32 -9.737 7.972 3.699 1.00 0.00 C ATOM 457 O GLY A 32 -9.807 9.199 3.644 1.00 0.00 O ATOM 0 H GLY A 32 -8.573 5.310 3.799 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.638 8.085 3.303 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.529 7.089 2.170 1.00 0.00 H new ATOM 461 N GLY A 33 -10.769 7.236 4.157 1.00 0.00 N ATOM 462 CA GLY A 33 -12.008 7.874 4.684 1.00 0.00 C ATOM 463 C GLY A 33 -11.813 8.796 5.910 1.00 0.00 C ATOM 464 O GLY A 33 -12.072 9.998 5.800 1.00 0.00 O ATOM 0 H GLY A 33 -10.778 6.216 4.176 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.465 8.455 3.883 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.715 7.088 4.951 1.00 0.00 H new ATOM 468 N LYS A 34 -11.270 8.265 7.024 1.00 0.00 N ATOM 469 CA LYS A 34 -10.781 9.104 8.161 1.00 0.00 C ATOM 470 C LYS A 34 -9.736 10.210 7.781 1.00 0.00 C ATOM 471 O LYS A 34 -9.848 11.363 8.213 1.00 0.00 O ATOM 472 CB LYS A 34 -10.171 8.166 9.242 1.00 0.00 C ATOM 473 CG LYS A 34 -11.155 7.204 9.949 1.00 0.00 C ATOM 474 CD LYS A 34 -10.478 6.394 11.076 1.00 0.00 C ATOM 475 CE LYS A 34 -11.363 5.301 11.705 1.00 0.00 C ATOM 476 NZ LYS A 34 -12.453 5.854 12.533 1.00 0.00 N ATOM 0 H LYS A 34 -11.155 7.262 7.170 1.00 0.00 H new ATOM 0 HA LYS A 34 -11.651 9.650 8.527 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.386 7.571 8.775 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.692 8.785 10.001 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.984 7.777 10.365 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.578 6.518 9.216 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.576 5.928 10.679 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.162 7.082 11.860 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.791 4.686 10.913 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.743 4.646 12.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.016 5.075 12.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.049 6.419 13.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.063 6.457 11.946 1.00 0.00 H new ATOM 489 N PHE A 35 -8.727 9.837 6.975 1.00 0.00 N ATOM 490 CA PHE A 35 -7.559 10.680 6.661 1.00 0.00 C ATOM 491 C PHE A 35 -7.836 11.876 5.720 1.00 0.00 C ATOM 492 O PHE A 35 -7.459 13.001 6.056 1.00 0.00 O ATOM 493 CB PHE A 35 -6.452 9.721 6.130 1.00 0.00 C ATOM 494 CG PHE A 35 -5.580 9.089 7.228 1.00 0.00 C ATOM 495 CD1 PHE A 35 -6.043 8.037 8.025 1.00 0.00 C ATOM 496 CD2 PHE A 35 -4.308 9.611 7.456 1.00 0.00 C ATOM 497 CE1 PHE A 35 -5.239 7.517 9.037 1.00 0.00 C ATOM 498 CE2 PHE A 35 -3.508 9.103 8.476 1.00 0.00 C ATOM 499 CZ PHE A 35 -3.973 8.051 9.263 1.00 0.00 C ATOM 0 H PHE A 35 -8.699 8.927 6.516 1.00 0.00 H new ATOM 0 HA PHE A 35 -7.237 11.191 7.569 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -6.924 8.925 5.554 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -5.809 10.272 5.444 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -7.027 7.626 7.855 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -3.940 10.416 6.837 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -5.597 6.700 9.646 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.530 9.523 8.657 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.351 7.649 10.049 1.00 0.00 H new ATOM 509 N LEU A 36 -8.507 11.667 4.574 1.00 0.00 N ATOM 510 CA LEU A 36 -8.981 12.754 3.716 1.00 0.00 C ATOM 511 C LEU A 36 -10.098 13.614 4.399 1.00 0.00 C ATOM 512 O LEU A 36 -10.074 14.824 4.184 1.00 0.00 O ATOM 513 CB LEU A 36 -9.297 12.062 2.356 1.00 0.00 C ATOM 514 CG LEU A 36 -9.720 12.932 1.142 1.00 0.00 C ATOM 515 CD1 LEU A 36 -11.194 13.330 1.293 1.00 0.00 C ATOM 516 CD2 LEU A 36 -8.811 14.151 0.895 1.00 0.00 C ATOM 0 H LEU A 36 -8.733 10.737 4.221 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.250 13.541 3.531 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.412 11.497 2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.092 11.338 2.534 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.598 12.322 0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.495 13.941 0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.811 12.432 1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.325 13.900 2.213 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.174 14.706 0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.823 14.798 1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.792 13.813 0.707 1.00 0.00 H new ATOM 528 N GLU A 37 -11.041 13.085 5.222 1.00 0.00 N ATOM 529 CA GLU A 37 -11.907 13.919 6.093 1.00 0.00 C ATOM 530 C GLU A 37 -11.167 14.922 7.040 1.00 0.00 C ATOM 531 O GLU A 37 -11.620 16.065 7.156 1.00 0.00 O ATOM 532 CB GLU A 37 -12.827 12.913 6.831 1.00 0.00 C ATOM 533 CG GLU A 37 -14.157 13.459 7.354 1.00 0.00 C ATOM 534 CD GLU A 37 -14.089 14.298 8.632 1.00 0.00 C ATOM 535 OE1 GLU A 37 -13.772 13.844 9.730 1.00 0.00 O ATOM 536 OE2 GLU A 37 -14.421 15.605 8.412 1.00 0.00 O ATOM 0 H GLU A 37 -11.220 12.084 5.299 1.00 0.00 H new ATOM 0 HA GLU A 37 -12.477 14.621 5.484 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.041 12.086 6.154 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.273 12.500 7.674 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -14.610 14.066 6.570 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -14.826 12.617 7.532 1.00 0.00 H new ATOM 544 N GLY A 38 -10.011 14.549 7.633 1.00 0.00 N ATOM 545 CA GLY A 38 -9.075 15.556 8.203 1.00 0.00 C ATOM 546 C GLY A 38 -8.321 16.493 7.229 1.00 0.00 C ATOM 547 O GLY A 38 -8.102 17.656 7.582 1.00 0.00 O ATOM 0 H GLY A 38 -9.704 13.581 7.731 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.640 16.181 8.894 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.330 15.021 8.793 1.00 0.00 H new ATOM 551 N ALA A 39 -7.914 16.014 6.039 1.00 0.00 N ATOM 552 CA ALA A 39 -7.203 16.864 5.042 1.00 0.00 C ATOM 553 C ALA A 39 -8.072 17.646 4.002 1.00 0.00 C ATOM 554 O ALA A 39 -7.512 18.364 3.168 1.00 0.00 O ATOM 555 CB ALA A 39 -6.145 15.961 4.396 1.00 0.00 C ATOM 0 H ALA A 39 -8.060 15.051 5.737 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.765 17.707 5.576 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.587 16.529 3.652 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.461 15.597 5.162 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.634 15.114 3.914 1.00 0.00 H new ATOM 561 N ALA A 40 -9.416 17.608 4.105 1.00 0.00 N ATOM 562 CA ALA A 40 -10.325 18.540 3.390 1.00 0.00 C ATOM 563 C ALA A 40 -10.249 20.054 3.785 1.00 0.00 C ATOM 564 O ALA A 40 -10.664 20.890 2.977 1.00 0.00 O ATOM 565 CB ALA A 40 -11.753 17.989 3.579 1.00 0.00 C ATOM 0 H ALA A 40 -9.907 16.930 4.687 1.00 0.00 H new ATOM 0 HA ALA A 40 -10.002 18.562 2.349 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -12.464 18.640 3.071 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.814 16.985 3.158 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.991 17.952 4.642 1.00 0.00 H new ATOM 571 N ARG A 41 -9.708 20.420 4.971 1.00 0.00 N ATOM 572 CA ARG A 41 -9.476 21.837 5.368 1.00 0.00 C ATOM 573 C ARG A 41 -8.592 22.707 4.404 1.00 0.00 C ATOM 574 O ARG A 41 -8.977 23.837 4.089 1.00 0.00 O ATOM 575 CB ARG A 41 -8.927 21.774 6.817 1.00 0.00 C ATOM 576 CG ARG A 41 -8.921 23.114 7.578 1.00 0.00 C ATOM 577 CD ARG A 41 -8.232 22.962 8.944 1.00 0.00 C ATOM 578 NE ARG A 41 -8.131 24.262 9.657 1.00 0.00 N ATOM 579 CZ ARG A 41 -9.047 24.763 10.500 1.00 0.00 C ATOM 580 NH1 ARG A 41 -10.184 24.163 10.803 1.00 0.00 N ATOM 581 NH2 ARG A 41 -8.796 25.920 11.053 1.00 0.00 N ATOM 0 H ARG A 41 -9.419 19.747 5.681 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.419 22.380 5.301 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -9.522 21.057 7.382 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.908 21.388 6.785 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.405 23.871 6.987 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.944 23.462 7.718 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.790 22.254 9.556 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.235 22.545 8.804 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.294 24.821 9.491 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.411 23.260 10.387 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.835 24.603 11.453 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.928 26.410 10.838 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.468 26.333 11.699 1.00 0.00 H new ATOM 594 N GLN A 42 -7.437 22.189 3.950 1.00 0.00 N ATOM 595 CA GLN A 42 -6.602 22.830 2.901 1.00 0.00 C ATOM 596 C GLN A 42 -6.347 21.754 1.788 1.00 0.00 C ATOM 597 O GLN A 42 -5.617 20.793 2.062 1.00 0.00 O ATOM 598 CB GLN A 42 -5.259 23.381 3.462 1.00 0.00 C ATOM 599 CG GLN A 42 -5.316 24.703 4.270 1.00 0.00 C ATOM 600 CD GLN A 42 -5.742 24.579 5.746 1.00 0.00 C ATOM 601 OE1 GLN A 42 -5.547 23.564 6.413 1.00 0.00 O ATOM 602 NE2 GLN A 42 -6.305 25.628 6.310 1.00 0.00 N ATOM 0 H GLN A 42 -7.049 21.312 4.297 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.128 23.695 2.496 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.820 22.614 4.100 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.578 23.527 2.624 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.331 25.169 4.235 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.007 25.381 3.769 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.470 26.473 5.764 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.576 25.595 7.293 1.00 0.00 H new ATOM 611 N PRO A 43 -6.867 21.859 0.527 1.00 0.00 N ATOM 612 CA PRO A 43 -6.579 20.861 -0.548 1.00 0.00 C ATOM 613 C PRO A 43 -5.158 20.839 -1.206 1.00 0.00 C ATOM 614 O PRO A 43 -4.850 19.883 -1.920 1.00 0.00 O ATOM 615 CB PRO A 43 -7.718 21.135 -1.548 1.00 0.00 C ATOM 616 CG PRO A 43 -8.087 22.606 -1.356 1.00 0.00 C ATOM 617 CD PRO A 43 -7.874 22.864 0.136 1.00 0.00 C ATOM 0 HA PRO A 43 -6.549 19.857 -0.125 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -7.396 20.942 -2.571 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.573 20.488 -1.355 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.458 23.255 -1.965 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.120 22.797 -1.648 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.519 23.878 0.320 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -8.799 22.743 0.699 1.00 0.00 H new ATOM 625 N ASP A 44 -4.294 21.838 -0.943 1.00 0.00 N ATOM 626 CA ASP A 44 -2.833 21.760 -1.251 1.00 0.00 C ATOM 627 C ASP A 44 -1.984 21.898 0.060 1.00 0.00 C ATOM 628 O ASP A 44 -1.158 22.804 0.208 1.00 0.00 O ATOM 629 CB ASP A 44 -2.469 22.807 -2.343 1.00 0.00 C ATOM 630 CG ASP A 44 -3.023 22.509 -3.741 1.00 0.00 C ATOM 631 OD1 ASP A 44 -2.473 21.762 -4.545 1.00 0.00 O ATOM 632 OD2 ASP A 44 -4.197 23.166 -3.986 1.00 0.00 O ATOM 0 H ASP A 44 -4.575 22.720 -0.514 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.590 20.780 -1.661 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.835 23.783 -2.025 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.383 22.879 -2.407 1.00 0.00 H new ATOM 638 N LEU A 45 -2.182 20.956 1.002 1.00 0.00 N ATOM 639 CA LEU A 45 -1.488 20.933 2.321 1.00 0.00 C ATOM 640 C LEU A 45 -0.321 19.890 2.353 1.00 0.00 C ATOM 641 O LEU A 45 -0.317 18.900 1.611 1.00 0.00 O ATOM 642 CB LEU A 45 -2.606 20.673 3.372 1.00 0.00 C ATOM 643 CG LEU A 45 -2.299 20.811 4.883 1.00 0.00 C ATOM 644 CD1 LEU A 45 -1.820 22.215 5.297 1.00 0.00 C ATOM 645 CD2 LEU A 45 -3.523 20.407 5.730 1.00 0.00 C ATOM 0 H LEU A 45 -2.832 20.180 0.876 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.983 21.874 2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.428 21.353 3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.975 19.661 3.208 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.471 20.129 5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.626 22.232 6.369 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.905 22.461 4.758 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.590 22.948 5.056 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.284 20.512 6.788 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.366 21.053 5.483 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.786 19.370 5.518 1.00 0.00 H new ATOM 657 N ILE A 46 0.652 20.072 3.273 1.00 0.00 N ATOM 658 CA ILE A 46 1.700 19.038 3.571 1.00 0.00 C ATOM 659 C ILE A 46 1.021 17.786 4.253 1.00 0.00 C ATOM 660 O ILE A 46 1.069 16.729 3.621 1.00 0.00 O ATOM 661 CB ILE A 46 2.983 19.636 4.264 1.00 0.00 C ATOM 662 CG1 ILE A 46 3.793 20.655 3.397 1.00 0.00 C ATOM 663 CG2 ILE A 46 3.980 18.526 4.698 1.00 0.00 C ATOM 664 CD1 ILE A 46 3.198 22.066 3.254 1.00 0.00 C ATOM 0 H ILE A 46 0.744 20.922 3.829 1.00 0.00 H new ATOM 0 HA ILE A 46 2.132 18.660 2.644 1.00 0.00 H new ATOM 0 HB ILE A 46 2.569 20.166 5.121 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.791 20.748 3.825 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.912 20.233 2.399 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.849 18.983 5.171 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.492 17.855 5.405 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.299 17.960 3.822 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.852 22.675 2.631 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.214 22.000 2.791 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.106 22.524 4.239 1.00 0.00 H new ATOM 676 N PRO A 47 0.290 17.845 5.409 1.00 0.00 N ATOM 677 CA PRO A 47 -0.738 16.831 5.779 1.00 0.00 C ATOM 678 C PRO A 47 -1.788 16.311 4.736 1.00 0.00 C ATOM 679 O PRO A 47 -2.232 15.173 4.891 1.00 0.00 O ATOM 680 CB PRO A 47 -1.396 17.473 7.010 1.00 0.00 C ATOM 681 CG PRO A 47 -0.291 18.312 7.657 1.00 0.00 C ATOM 682 CD PRO A 47 0.570 18.806 6.494 1.00 0.00 C ATOM 0 HA PRO A 47 -0.230 15.877 5.918 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.246 18.092 6.725 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -1.770 16.715 7.698 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.709 19.147 8.220 1.00 0.00 H new ATOM 0 HG3 PRO A 47 0.296 17.718 8.357 1.00 0.00 H new ATOM 0 HD2 PRO A 47 0.305 19.823 6.205 1.00 0.00 H new ATOM 0 HD3 PRO A 47 1.628 18.815 6.756 1.00 0.00 H new ATOM 690 N LEU A 48 -2.148 17.051 3.660 1.00 0.00 N ATOM 691 CA LEU A 48 -2.831 16.456 2.464 1.00 0.00 C ATOM 692 C LEU A 48 -1.950 15.429 1.697 1.00 0.00 C ATOM 693 O LEU A 48 -2.413 14.310 1.485 1.00 0.00 O ATOM 694 CB LEU A 48 -3.503 17.541 1.572 1.00 0.00 C ATOM 695 CG LEU A 48 -4.351 17.162 0.322 1.00 0.00 C ATOM 696 CD1 LEU A 48 -3.511 16.776 -0.911 1.00 0.00 C ATOM 697 CD2 LEU A 48 -5.449 16.116 0.588 1.00 0.00 C ATOM 0 H LEU A 48 -1.982 18.055 3.586 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.656 15.851 2.840 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.147 18.131 2.224 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.708 18.202 1.226 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.862 18.095 0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.174 16.526 -1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.876 17.615 -1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.888 15.914 -0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.989 15.912 -0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.994 15.195 0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.143 16.499 1.337 1.00 0.00 H new ATOM 709 N LEU A 49 -0.693 15.748 1.339 1.00 0.00 N ATOM 710 CA LEU A 49 0.288 14.720 0.860 1.00 0.00 C ATOM 711 C LEU A 49 0.623 13.547 1.846 1.00 0.00 C ATOM 712 O LEU A 49 0.840 12.428 1.375 1.00 0.00 O ATOM 713 CB LEU A 49 1.590 15.422 0.375 1.00 0.00 C ATOM 714 CG LEU A 49 1.471 16.447 -0.791 1.00 0.00 C ATOM 715 CD1 LEU A 49 2.803 17.191 -0.989 1.00 0.00 C ATOM 716 CD2 LEU A 49 1.032 15.796 -2.117 1.00 0.00 C ATOM 0 H LEU A 49 -0.321 16.698 1.367 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.223 14.218 0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.031 15.936 1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.294 14.648 0.070 1.00 0.00 H new ATOM 0 HG LEU A 49 0.692 17.154 -0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.703 17.904 -1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.062 17.723 -0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.589 16.474 -1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.966 16.559 -2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.762 15.041 -2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.057 15.326 -1.987 1.00 0.00 H new ATOM 728 N ARG A 50 0.615 13.760 3.179 1.00 0.00 N ATOM 729 CA ARG A 50 0.694 12.650 4.179 1.00 0.00 C ATOM 730 C ARG A 50 -0.568 11.722 4.179 1.00 0.00 C ATOM 731 O ARG A 50 -0.425 10.507 4.032 1.00 0.00 O ATOM 732 CB ARG A 50 0.993 13.175 5.615 1.00 0.00 C ATOM 733 CG ARG A 50 2.212 14.109 5.817 1.00 0.00 C ATOM 734 CD ARG A 50 3.584 13.486 5.495 1.00 0.00 C ATOM 735 NE ARG A 50 4.673 14.490 5.619 1.00 0.00 N ATOM 736 CZ ARG A 50 5.343 14.782 6.743 1.00 0.00 C ATOM 737 NH1 ARG A 50 5.118 14.211 7.912 1.00 0.00 N ATOM 738 NH2 ARG A 50 6.277 15.694 6.674 1.00 0.00 N ATOM 0 H ARG A 50 0.555 14.688 3.598 1.00 0.00 H new ATOM 0 HA ARG A 50 1.536 12.036 3.859 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.107 13.704 5.967 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.126 12.310 6.264 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.078 14.993 5.193 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.220 14.448 6.853 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.776 12.653 6.171 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.574 13.080 4.483 1.00 0.00 H new ATOM 0 HE ARG A 50 4.933 15.001 4.776 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.394 13.497 8.000 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.668 14.483 8.727 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.474 16.156 5.786 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.809 15.944 7.508 1.00 0.00 H new ATOM 751 N THR A 51 -1.786 12.283 4.304 1.00 0.00 N ATOM 752 CA THR A 51 -3.074 11.557 4.161 1.00 0.00 C ATOM 753 C THR A 51 -3.295 10.831 2.791 1.00 0.00 C ATOM 754 O THR A 51 -3.639 9.648 2.800 1.00 0.00 O ATOM 755 CB THR A 51 -4.228 12.544 4.515 1.00 0.00 C ATOM 756 OG1 THR A 51 -4.204 13.678 3.666 1.00 0.00 O ATOM 757 CG2 THR A 51 -4.296 13.051 5.973 1.00 0.00 C ATOM 0 H THR A 51 -1.911 13.274 4.512 1.00 0.00 H new ATOM 0 HA THR A 51 -3.056 10.722 4.861 1.00 0.00 H new ATOM 0 HB THR A 51 -5.115 11.928 4.369 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.510 14.299 3.970 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.143 13.729 6.083 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.419 12.204 6.648 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.374 13.579 6.218 1.00 0.00 H new ATOM 765 N GLN A 52 -3.036 11.493 1.641 1.00 0.00 N ATOM 766 CA GLN A 52 -2.949 10.859 0.301 1.00 0.00 C ATOM 767 C GLN A 52 -1.967 9.651 0.181 1.00 0.00 C ATOM 768 O GLN A 52 -2.361 8.590 -0.311 1.00 0.00 O ATOM 769 CB GLN A 52 -2.668 12.000 -0.718 1.00 0.00 C ATOM 770 CG GLN A 52 -3.175 11.765 -2.152 1.00 0.00 C ATOM 771 CD GLN A 52 -2.406 10.747 -3.012 1.00 0.00 C ATOM 772 OE1 GLN A 52 -1.186 10.615 -2.948 1.00 0.00 O ATOM 773 NE2 GLN A 52 -3.100 10.019 -3.863 1.00 0.00 N ATOM 0 H GLN A 52 -2.878 12.500 1.615 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.899 10.370 0.086 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.120 12.917 -0.340 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.592 12.168 -0.757 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.214 11.441 -2.094 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.168 12.722 -2.674 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.113 10.126 -3.918 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.624 9.348 -4.466 1.00 0.00 H new ATOM 782 N PHE A 53 -0.729 9.798 0.694 1.00 0.00 N ATOM 783 CA PHE A 53 0.202 8.655 0.922 1.00 0.00 C ATOM 784 C PHE A 53 -0.366 7.478 1.795 1.00 0.00 C ATOM 785 O PHE A 53 -0.217 6.325 1.386 1.00 0.00 O ATOM 786 CB PHE A 53 1.558 9.215 1.443 1.00 0.00 C ATOM 787 CG PHE A 53 2.682 8.170 1.591 1.00 0.00 C ATOM 788 CD1 PHE A 53 3.399 7.736 0.472 1.00 0.00 C ATOM 789 CD2 PHE A 53 2.945 7.594 2.840 1.00 0.00 C ATOM 790 CE1 PHE A 53 4.361 6.735 0.598 1.00 0.00 C ATOM 791 CE2 PHE A 53 3.905 6.592 2.964 1.00 0.00 C ATOM 792 CZ PHE A 53 4.611 6.164 1.843 1.00 0.00 C ATOM 0 H PHE A 53 -0.341 10.702 0.963 1.00 0.00 H new ATOM 0 HA PHE A 53 0.351 8.163 -0.039 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.896 9.996 0.763 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.391 9.686 2.412 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.207 8.178 -0.494 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.401 7.928 3.711 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.912 6.403 -0.269 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.101 6.148 3.929 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.355 5.387 1.939 1.00 0.00 H new ATOM 802 N PHE A 54 -1.027 7.747 2.944 1.00 0.00 N ATOM 803 CA PHE A 54 -1.790 6.730 3.718 1.00 0.00 C ATOM 804 C PHE A 54 -2.867 5.900 2.940 1.00 0.00 C ATOM 805 O PHE A 54 -2.998 4.698 3.189 1.00 0.00 O ATOM 806 CB PHE A 54 -2.380 7.382 5.009 1.00 0.00 C ATOM 807 CG PHE A 54 -1.512 7.207 6.265 1.00 0.00 C ATOM 808 CD1 PHE A 54 -0.521 8.140 6.590 1.00 0.00 C ATOM 809 CD2 PHE A 54 -1.717 6.108 7.105 1.00 0.00 C ATOM 810 CE1 PHE A 54 0.250 7.976 7.739 1.00 0.00 C ATOM 811 CE2 PHE A 54 -0.947 5.945 8.253 1.00 0.00 C ATOM 812 CZ PHE A 54 0.035 6.879 8.570 1.00 0.00 C ATOM 0 H PHE A 54 -1.049 8.676 3.365 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.053 5.968 3.972 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.526 8.447 4.829 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.364 6.954 5.200 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.353 8.991 5.947 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.478 5.381 6.861 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.014 8.699 7.985 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.111 5.094 8.898 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.631 6.753 9.462 1.00 0.00 H new ATOM 822 N ILE A 55 -3.593 6.516 1.986 1.00 0.00 N ATOM 823 CA ILE A 55 -4.484 5.797 1.022 1.00 0.00 C ATOM 824 C ILE A 55 -3.687 4.866 0.033 1.00 0.00 C ATOM 825 O ILE A 55 -4.035 3.690 -0.126 1.00 0.00 O ATOM 826 CB ILE A 55 -5.457 6.758 0.223 1.00 0.00 C ATOM 827 CG1 ILE A 55 -5.812 8.111 0.904 1.00 0.00 C ATOM 828 CG2 ILE A 55 -6.732 5.982 -0.182 1.00 0.00 C ATOM 829 CD1 ILE A 55 -6.846 9.036 0.239 1.00 0.00 C ATOM 0 H ILE A 55 -3.586 7.527 1.853 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.109 5.161 1.649 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.891 7.067 -0.656 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.169 7.889 1.910 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.887 8.677 1.012 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.401 6.644 -0.732 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.458 5.137 -0.813 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.236 5.618 0.713 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.974 9.933 0.844 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.498 9.316 -0.755 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.800 8.515 0.156 1.00 0.00 H new ATOM 841 N VAL A 56 -2.635 5.402 -0.625 1.00 0.00 N ATOM 842 CA VAL A 56 -1.800 4.668 -1.625 1.00 0.00 C ATOM 843 C VAL A 56 -0.983 3.485 -1.019 1.00 0.00 C ATOM 844 O VAL A 56 -0.992 2.422 -1.636 1.00 0.00 O ATOM 845 CB VAL A 56 -0.927 5.684 -2.452 1.00 0.00 C ATOM 846 CG1 VAL A 56 0.031 5.024 -3.476 1.00 0.00 C ATOM 847 CG2 VAL A 56 -1.763 6.721 -3.242 1.00 0.00 C ATOM 0 H VAL A 56 -2.332 6.365 -0.481 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.479 4.174 -2.320 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.348 6.172 -1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.592 5.798 -4.000 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.723 4.364 -2.953 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.548 4.446 -4.196 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.095 7.387 -3.787 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.414 6.203 -3.947 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.370 7.303 -2.549 1.00 0.00 H new ATOM 857 N MET A 57 -0.295 3.618 0.133 1.00 0.00 N ATOM 858 CA MET A 57 0.460 2.494 0.755 1.00 0.00 C ATOM 859 C MET A 57 -0.353 1.232 1.221 1.00 0.00 C ATOM 860 O MET A 57 0.170 0.112 1.172 1.00 0.00 O ATOM 861 CB MET A 57 1.480 3.025 1.794 1.00 0.00 C ATOM 862 CG MET A 57 0.927 3.575 3.116 1.00 0.00 C ATOM 863 SD MET A 57 0.459 2.228 4.219 1.00 0.00 S ATOM 864 CE MET A 57 -0.153 3.186 5.614 1.00 0.00 C ATOM 0 H MET A 57 -0.242 4.491 0.658 1.00 0.00 H new ATOM 0 HA MET A 57 1.012 2.050 -0.074 1.00 0.00 H new ATOM 0 HB2 MET A 57 2.171 2.216 2.030 1.00 0.00 H new ATOM 0 HB3 MET A 57 2.063 3.814 1.319 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.678 4.202 3.597 1.00 0.00 H new ATOM 0 HG3 MET A 57 0.062 4.208 2.919 1.00 0.00 H new ATOM 0 HE1 MET A 57 -0.489 2.510 6.400 1.00 0.00 H new ATOM 0 HE2 MET A 57 0.646 3.821 5.998 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.987 3.808 5.290 1.00 0.00 H new ATOM 874 N GLY A 58 -1.650 1.381 1.573 1.00 0.00 N ATOM 875 CA GLY A 58 -2.592 0.247 1.624 1.00 0.00 C ATOM 876 C GLY A 58 -2.814 -0.377 0.237 1.00 0.00 C ATOM 877 O GLY A 58 -2.419 -1.524 0.049 1.00 0.00 O ATOM 0 H GLY A 58 -2.066 2.278 1.826 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.210 -0.512 2.306 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.547 0.586 2.027 1.00 0.00 H new ATOM 881 N LEU A 59 -3.326 0.372 -0.760 1.00 0.00 N ATOM 882 CA LEU A 59 -3.384 -0.094 -2.189 1.00 0.00 C ATOM 883 C LEU A 59 -2.049 -0.549 -2.896 1.00 0.00 C ATOM 884 O LEU A 59 -2.095 -1.165 -3.962 1.00 0.00 O ATOM 885 CB LEU A 59 -4.234 0.949 -2.988 1.00 0.00 C ATOM 886 CG LEU A 59 -5.343 0.427 -3.946 1.00 0.00 C ATOM 887 CD1 LEU A 59 -4.819 -0.239 -5.225 1.00 0.00 C ATOM 888 CD2 LEU A 59 -6.379 -0.480 -3.248 1.00 0.00 C ATOM 0 H LEU A 59 -3.710 1.306 -0.617 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.869 -1.070 -2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.707 1.614 -2.265 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.546 1.555 -3.577 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.852 1.339 -4.257 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.660 -0.572 -5.833 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.224 0.478 -5.791 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.200 -1.096 -4.961 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.123 -0.808 -3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.875 -1.350 -2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.871 0.077 -2.451 1.00 0.00 H new ATOM 900 N VAL A 60 -0.884 -0.348 -2.256 1.00 0.00 N ATOM 901 CA VAL A 60 0.400 -1.038 -2.603 1.00 0.00 C ATOM 902 C VAL A 60 0.699 -2.359 -1.812 1.00 0.00 C ATOM 903 O VAL A 60 1.385 -3.223 -2.367 1.00 0.00 O ATOM 904 CB VAL A 60 1.591 -0.011 -2.697 1.00 0.00 C ATOM 905 CG1 VAL A 60 2.502 0.097 -1.452 1.00 0.00 C ATOM 906 CG2 VAL A 60 2.491 -0.280 -3.920 1.00 0.00 C ATOM 0 H VAL A 60 -0.792 0.301 -1.474 1.00 0.00 H new ATOM 0 HA VAL A 60 0.267 -1.439 -3.608 1.00 0.00 H new ATOM 0 HB VAL A 60 1.067 0.940 -2.787 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.284 0.834 -1.636 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.908 0.405 -0.592 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.958 -0.872 -1.249 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.299 0.451 -3.945 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.912 -1.283 -3.849 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.899 -0.199 -4.832 1.00 0.00 H new ATOM 916 N ASP A 61 0.129 -2.593 -0.602 1.00 0.00 N ATOM 917 CA ASP A 61 -0.207 -3.977 -0.138 1.00 0.00 C ATOM 918 C ASP A 61 -1.018 -4.796 -1.198 1.00 0.00 C ATOM 919 O ASP A 61 -0.578 -5.887 -1.556 1.00 0.00 O ATOM 920 CB ASP A 61 -0.923 -3.961 1.246 1.00 0.00 C ATOM 921 CG ASP A 61 -0.843 -5.287 2.011 1.00 0.00 C ATOM 922 OD1 ASP A 61 -1.779 -6.077 2.102 1.00 0.00 O ATOM 923 OD2 ASP A 61 0.385 -5.487 2.576 1.00 0.00 O ATOM 0 H ASP A 61 -0.107 -1.859 0.065 1.00 0.00 H new ATOM 0 HA ASP A 61 0.743 -4.496 -0.014 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.485 -3.174 1.860 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.972 -3.703 1.097 1.00 0.00 H new ATOM 929 N ALA A 62 -2.118 -4.245 -1.765 1.00 0.00 N ATOM 930 CA ALA A 62 -2.763 -4.801 -2.990 1.00 0.00 C ATOM 931 C ALA A 62 -1.816 -5.134 -4.175 1.00 0.00 C ATOM 932 O ALA A 62 -1.589 -6.324 -4.387 1.00 0.00 O ATOM 933 CB ALA A 62 -4.004 -3.989 -3.394 1.00 0.00 C ATOM 0 H ALA A 62 -2.582 -3.415 -1.396 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.102 -5.794 -2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.447 -4.423 -4.290 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.732 -4.009 -2.583 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.714 -2.958 -3.596 1.00 0.00 H new ATOM 939 N ILE A 63 -1.231 -4.157 -4.897 1.00 0.00 N ATOM 940 CA ILE A 63 -0.404 -4.432 -6.121 1.00 0.00 C ATOM 941 C ILE A 63 0.801 -5.421 -5.888 1.00 0.00 C ATOM 942 O ILE A 63 0.879 -6.451 -6.571 1.00 0.00 O ATOM 943 CB ILE A 63 -0.021 -3.080 -6.835 1.00 0.00 C ATOM 944 CG1 ILE A 63 -1.223 -2.163 -7.236 1.00 0.00 C ATOM 945 CG2 ILE A 63 0.898 -3.258 -8.072 1.00 0.00 C ATOM 946 CD1 ILE A 63 -2.270 -2.751 -8.200 1.00 0.00 C ATOM 0 H ILE A 63 -1.308 -3.167 -4.665 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.027 -4.995 -6.815 1.00 0.00 H new ATOM 0 HB ILE A 63 0.531 -2.572 -6.044 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.737 -1.862 -6.323 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.820 -1.257 -7.688 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.116 -2.283 -8.507 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.829 -3.736 -7.768 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.396 -3.881 -8.812 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.045 -2.009 -8.392 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.788 -3.023 -9.139 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.719 -3.638 -7.753 1.00 0.00 H new ATOM 958 N ALA A 64 1.706 -5.120 -4.932 1.00 0.00 N ATOM 959 CA ALA A 64 2.903 -5.947 -4.655 1.00 0.00 C ATOM 960 C ALA A 64 2.617 -7.388 -4.139 1.00 0.00 C ATOM 961 O ALA A 64 3.103 -8.348 -4.745 1.00 0.00 O ATOM 962 CB ALA A 64 3.834 -5.155 -3.716 1.00 0.00 C ATOM 0 H ALA A 64 1.629 -4.299 -4.331 1.00 0.00 H new ATOM 0 HA ALA A 64 3.395 -6.133 -5.610 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.723 -5.748 -3.500 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.128 -4.222 -4.197 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.310 -4.934 -2.786 1.00 0.00 H new ATOM 968 N MET A 65 1.819 -7.552 -3.065 1.00 0.00 N ATOM 969 CA MET A 65 1.445 -8.877 -2.523 1.00 0.00 C ATOM 970 C MET A 65 0.557 -9.757 -3.464 1.00 0.00 C ATOM 971 O MET A 65 0.806 -10.964 -3.537 1.00 0.00 O ATOM 972 CB MET A 65 0.774 -8.684 -1.142 1.00 0.00 C ATOM 973 CG MET A 65 1.541 -7.926 -0.038 1.00 0.00 C ATOM 974 SD MET A 65 3.154 -8.677 0.253 1.00 0.00 S ATOM 975 CE MET A 65 3.683 -7.735 1.696 1.00 0.00 C ATOM 0 H MET A 65 1.415 -6.771 -2.548 1.00 0.00 H new ATOM 0 HA MET A 65 2.371 -9.444 -2.430 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.170 -8.163 -1.304 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.530 -9.673 -0.754 1.00 0.00 H new ATOM 0 HG2 MET A 65 1.668 -6.883 -0.328 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.960 -7.932 0.884 1.00 0.00 H new ATOM 0 HE1 MET A 65 4.670 -8.074 2.010 1.00 0.00 H new ATOM 0 HE2 MET A 65 3.727 -6.676 1.443 1.00 0.00 H new ATOM 0 HE3 MET A 65 2.972 -7.884 2.509 1.00 0.00 H new ATOM 985 N ILE A 66 -0.437 -9.183 -4.189 1.00 0.00 N ATOM 986 CA ILE A 66 -1.249 -9.936 -5.193 1.00 0.00 C ATOM 987 C ILE A 66 -0.405 -10.500 -6.382 1.00 0.00 C ATOM 988 O ILE A 66 -0.367 -11.716 -6.570 1.00 0.00 O ATOM 989 CB ILE A 66 -2.553 -9.162 -5.612 1.00 0.00 C ATOM 990 CG1 ILE A 66 -3.660 -10.169 -6.031 1.00 0.00 C ATOM 991 CG2 ILE A 66 -2.359 -8.054 -6.689 1.00 0.00 C ATOM 992 CD1 ILE A 66 -4.988 -9.544 -6.470 1.00 0.00 C ATOM 0 H ILE A 66 -0.699 -8.201 -4.100 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.609 -10.834 -4.691 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.862 -8.613 -4.722 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.279 -10.782 -6.848 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.853 -10.839 -5.193 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.319 -7.584 -6.905 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.663 -7.303 -6.317 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.960 -8.499 -7.601 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.690 -10.333 -6.741 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.402 -8.956 -5.651 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.819 -8.898 -7.331 1.00 0.00 H new ATOM 1004 N ALA A 67 0.278 -9.635 -7.155 1.00 0.00 N ATOM 1005 CA ALA A 67 1.078 -10.064 -8.331 1.00 0.00 C ATOM 1006 C ALA A 67 2.346 -10.932 -8.055 1.00 0.00 C ATOM 1007 O ALA A 67 2.600 -11.863 -8.825 1.00 0.00 O ATOM 1008 CB ALA A 67 1.402 -8.782 -9.116 1.00 0.00 C ATOM 0 H ALA A 67 0.295 -8.629 -6.990 1.00 0.00 H new ATOM 0 HA ALA A 67 0.474 -10.770 -8.902 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.992 -9.034 -9.997 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.474 -8.301 -9.426 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.970 -8.101 -8.482 1.00 0.00 H new ATOM 1014 N VAL A 68 3.108 -10.683 -6.970 1.00 0.00 N ATOM 1015 CA VAL A 68 4.215 -11.593 -6.526 1.00 0.00 C ATOM 1016 C VAL A 68 3.678 -12.981 -6.021 1.00 0.00 C ATOM 1017 O VAL A 68 4.178 -14.016 -6.474 1.00 0.00 O ATOM 1018 CB VAL A 68 5.176 -10.867 -5.515 1.00 0.00 C ATOM 1019 CG1 VAL A 68 6.320 -11.763 -4.976 1.00 0.00 C ATOM 1020 CG2 VAL A 68 5.848 -9.600 -6.103 1.00 0.00 C ATOM 0 H VAL A 68 2.987 -9.862 -6.377 1.00 0.00 H new ATOM 0 HA VAL A 68 4.825 -11.834 -7.396 1.00 0.00 H new ATOM 0 HB VAL A 68 4.501 -10.599 -4.702 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.938 -11.189 -4.286 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.895 -12.621 -4.455 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.933 -12.110 -5.808 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.497 -9.150 -5.351 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.440 -9.874 -6.976 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.080 -8.883 -6.395 1.00 0.00 H new ATOM 1030 N GLY A 69 2.685 -13.015 -5.109 1.00 0.00 N ATOM 1031 CA GLY A 69 2.106 -14.283 -4.597 1.00 0.00 C ATOM 1032 C GLY A 69 1.260 -15.155 -5.552 1.00 0.00 C ATOM 1033 O GLY A 69 1.468 -16.371 -5.599 1.00 0.00 O ATOM 0 H GLY A 69 2.263 -12.177 -4.708 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.929 -14.897 -4.231 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.484 -14.038 -3.736 1.00 0.00 H new ATOM 1037 N LEU A 70 0.332 -14.547 -6.318 1.00 0.00 N ATOM 1038 CA LEU A 70 -0.380 -15.232 -7.440 1.00 0.00 C ATOM 1039 C LEU A 70 0.583 -15.665 -8.596 1.00 0.00 C ATOM 1040 O LEU A 70 0.489 -16.808 -9.050 1.00 0.00 O ATOM 1041 CB LEU A 70 -1.567 -14.333 -7.903 1.00 0.00 C ATOM 1042 CG LEU A 70 -2.783 -15.022 -8.587 1.00 0.00 C ATOM 1043 CD1 LEU A 70 -3.960 -14.031 -8.684 1.00 0.00 C ATOM 1044 CD2 LEU A 70 -2.493 -15.581 -9.994 1.00 0.00 C ATOM 0 H LEU A 70 0.050 -13.576 -6.186 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.791 -16.177 -7.085 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.936 -13.793 -7.031 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.172 -13.589 -8.595 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.026 -15.875 -7.954 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.808 -14.519 -9.164 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.246 -13.707 -7.683 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.659 -13.165 -9.274 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.395 -16.043 -10.395 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.179 -14.769 -10.650 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.700 -16.326 -9.933 1.00 0.00 H new ATOM 1056 N GLY A 71 1.554 -14.811 -8.996 1.00 0.00 N ATOM 1057 CA GLY A 71 2.760 -15.237 -9.753 1.00 0.00 C ATOM 1058 C GLY A 71 3.495 -16.522 -9.293 1.00 0.00 C ATOM 1059 O GLY A 71 3.681 -17.416 -10.118 1.00 0.00 O ATOM 0 H GLY A 71 1.526 -13.809 -8.805 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.469 -15.374 -10.794 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.477 -14.416 -9.728 1.00 0.00 H new ATOM 1063 N LEU A 72 3.868 -16.649 -8.003 1.00 0.00 N ATOM 1064 CA LEU A 72 4.541 -17.865 -7.480 1.00 0.00 C ATOM 1065 C LEU A 72 3.687 -19.178 -7.500 1.00 0.00 C ATOM 1066 O LEU A 72 4.104 -20.178 -8.087 1.00 0.00 O ATOM 1067 CB LEU A 72 5.140 -17.593 -6.070 1.00 0.00 C ATOM 1068 CG LEU A 72 6.396 -18.456 -5.784 1.00 0.00 C ATOM 1069 CD1 LEU A 72 7.660 -17.938 -6.501 1.00 0.00 C ATOM 1070 CD2 LEU A 72 6.681 -18.560 -4.278 1.00 0.00 C ATOM 0 H LEU A 72 3.716 -15.926 -7.300 1.00 0.00 H new ATOM 0 HA LEU A 72 5.344 -18.069 -8.188 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.401 -16.538 -5.987 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.383 -17.795 -5.312 1.00 0.00 H new ATOM 0 HG LEU A 72 6.163 -19.444 -6.181 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.505 -18.584 -6.261 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.495 -17.942 -7.578 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.875 -16.922 -6.171 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.568 -19.172 -4.117 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.849 -17.563 -3.870 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.828 -19.018 -3.777 1.00 0.00 H new ATOM 1082 N TYR A 73 2.490 -19.136 -6.885 1.00 0.00 N ATOM 1083 CA TYR A 73 1.371 -20.103 -7.083 1.00 0.00 C ATOM 1084 C TYR A 73 1.175 -20.703 -8.519 1.00 0.00 C ATOM 1085 O TYR A 73 1.055 -21.922 -8.669 1.00 0.00 O ATOM 1086 CB TYR A 73 0.135 -19.301 -6.566 1.00 0.00 C ATOM 1087 CG TYR A 73 -1.256 -19.949 -6.632 1.00 0.00 C ATOM 1088 CD1 TYR A 73 -1.664 -20.847 -5.645 1.00 0.00 C ATOM 1089 CD2 TYR A 73 -2.160 -19.576 -7.634 1.00 0.00 C ATOM 1090 CE1 TYR A 73 -2.948 -21.384 -5.664 1.00 0.00 C ATOM 1091 CE2 TYR A 73 -3.450 -20.101 -7.644 1.00 0.00 C ATOM 1092 CZ TYR A 73 -3.841 -21.011 -6.664 1.00 0.00 C ATOM 1093 OH TYR A 73 -5.109 -21.527 -6.671 1.00 0.00 O ATOM 0 H TYR A 73 2.258 -18.406 -6.211 1.00 0.00 H new ATOM 0 HA TYR A 73 1.569 -21.030 -6.545 1.00 0.00 H new ATOM 0 HB2 TYR A 73 0.326 -19.038 -5.526 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.090 -18.368 -7.128 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.978 -21.128 -4.860 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.856 -18.879 -8.401 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.251 -22.089 -4.904 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.148 -19.802 -8.412 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.605 -21.165 -7.434 1.00 0.00 H new ATOM 1103 N VAL A 74 1.149 -19.837 -9.546 1.00 0.00 N ATOM 1104 CA VAL A 74 0.954 -20.252 -10.969 1.00 0.00 C ATOM 1105 C VAL A 74 2.256 -20.725 -11.705 1.00 0.00 C ATOM 1106 O VAL A 74 2.201 -21.726 -12.424 1.00 0.00 O ATOM 1107 CB VAL A 74 0.086 -19.200 -11.745 1.00 0.00 C ATOM 1108 CG1 VAL A 74 0.823 -17.913 -12.181 1.00 0.00 C ATOM 1109 CG2 VAL A 74 -0.618 -19.812 -12.977 1.00 0.00 C ATOM 0 H VAL A 74 1.261 -18.830 -9.427 1.00 0.00 H new ATOM 0 HA VAL A 74 0.373 -21.174 -10.952 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.648 -18.901 -10.997 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.130 -17.258 -12.708 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.210 -17.399 -11.301 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.650 -18.173 -12.842 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.206 -19.044 -13.479 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.130 -20.205 -13.666 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.276 -20.620 -12.656 1.00 0.00 H new ATOM 1119 N MET A 75 3.409 -20.047 -11.523 1.00 0.00 N ATOM 1120 CA MET A 75 4.736 -20.508 -12.021 1.00 0.00 C ATOM 1121 C MET A 75 5.222 -21.890 -11.468 1.00 0.00 C ATOM 1122 O MET A 75 5.770 -22.681 -12.240 1.00 0.00 O ATOM 1123 CB MET A 75 5.767 -19.387 -11.726 1.00 0.00 C ATOM 1124 CG MET A 75 5.649 -18.125 -12.604 1.00 0.00 C ATOM 1125 SD MET A 75 6.829 -16.888 -12.028 1.00 0.00 S ATOM 1126 CE MET A 75 6.279 -15.459 -12.978 1.00 0.00 C ATOM 0 H MET A 75 3.453 -19.158 -11.024 1.00 0.00 H new ATOM 0 HA MET A 75 4.633 -20.690 -13.091 1.00 0.00 H new ATOM 0 HB2 MET A 75 5.667 -19.092 -10.682 1.00 0.00 H new ATOM 0 HB3 MET A 75 6.769 -19.799 -11.846 1.00 0.00 H new ATOM 0 HG2 MET A 75 5.845 -18.374 -13.647 1.00 0.00 H new ATOM 0 HG3 MET A 75 4.635 -17.728 -12.556 1.00 0.00 H new ATOM 0 HE1 MET A 75 6.907 -14.600 -12.740 1.00 0.00 H new ATOM 0 HE2 MET A 75 6.354 -15.679 -14.043 1.00 0.00 H new ATOM 0 HE3 MET A 75 5.243 -15.232 -12.727 1.00 0.00 H new ATOM 1136 N PHE A 76 4.986 -22.204 -10.177 1.00 0.00 N ATOM 1137 CA PHE A 76 5.067 -23.597 -9.656 1.00 0.00 C ATOM 1138 C PHE A 76 4.069 -24.614 -10.300 1.00 0.00 C ATOM 1139 O PHE A 76 4.500 -25.689 -10.724 1.00 0.00 O ATOM 1140 CB PHE A 76 4.929 -23.593 -8.105 1.00 0.00 C ATOM 1141 CG PHE A 76 6.095 -23.108 -7.217 1.00 0.00 C ATOM 1142 CD1 PHE A 76 7.403 -23.533 -7.492 1.00 0.00 C ATOM 1143 CD2 PHE A 76 5.850 -22.360 -6.050 1.00 0.00 C ATOM 1144 CE1 PHE A 76 8.451 -23.189 -6.647 1.00 0.00 C ATOM 1145 CE2 PHE A 76 6.912 -22.020 -5.213 1.00 0.00 C ATOM 1146 CZ PHE A 76 8.205 -22.433 -5.509 1.00 0.00 C ATOM 0 H PHE A 76 4.737 -21.513 -9.469 1.00 0.00 H new ATOM 0 HA PHE A 76 6.052 -23.959 -9.951 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.062 -22.980 -7.861 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.695 -24.613 -7.800 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.597 -24.133 -8.369 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.845 -22.051 -5.804 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.457 -23.510 -6.875 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.728 -21.431 -4.327 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.020 -22.166 -4.853 1.00 0.00 H new ATOM 1156 N ALA A 77 2.761 -24.282 -10.355 1.00 0.00 N ATOM 1157 CA ALA A 77 1.696 -25.124 -10.965 1.00 0.00 C ATOM 1158 C ALA A 77 1.386 -26.389 -10.112 1.00 0.00 C ATOM 1159 O ALA A 77 1.961 -27.462 -10.321 1.00 0.00 O ATOM 1160 CB ALA A 77 1.918 -25.407 -12.468 1.00 0.00 C ATOM 0 H ALA A 77 2.404 -23.407 -9.971 1.00 0.00 H new ATOM 0 HA ALA A 77 0.783 -24.529 -10.945 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.104 -26.026 -12.846 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.942 -24.465 -13.016 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.865 -25.930 -12.604 1.00 0.00 H new ATOM 1166 N VAL A 78 0.484 -26.220 -9.126 1.00 0.00 N ATOM 1167 CA VAL A 78 0.047 -27.280 -8.160 1.00 0.00 C ATOM 1168 C VAL A 78 1.106 -27.639 -7.058 1.00 0.00 C ATOM 1169 O VAL A 78 0.822 -27.474 -5.868 1.00 0.00 O ATOM 1170 CB VAL A 78 -0.719 -28.453 -8.867 1.00 0.00 C ATOM 1171 CG1 VAL A 78 -0.995 -29.696 -7.988 1.00 0.00 C ATOM 1172 CG2 VAL A 78 -2.066 -28.010 -9.488 1.00 0.00 C ATOM 0 H VAL A 78 0.020 -25.326 -8.964 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.725 -26.845 -7.525 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.013 -28.743 -9.645 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.528 -30.445 -8.574 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.050 -30.113 -7.640 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.602 -29.407 -7.130 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.547 -28.866 -9.962 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.715 -27.616 -8.706 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.886 -27.236 -10.234 1.00 0.00 H new ATOM 1182 N ALA A 79 2.290 -28.153 -7.445 1.00 0.00 N ATOM 1183 CA ALA A 79 3.391 -28.556 -6.527 1.00 0.00 C ATOM 1184 C ALA A 79 3.019 -29.738 -5.613 1.00 0.00 C ATOM 1185 O ALA A 79 3.509 -30.862 -5.731 1.00 0.00 O ATOM 1186 CB ALA A 79 3.995 -27.381 -5.730 1.00 0.00 C ATOM 0 H ALA A 79 2.520 -28.306 -8.427 1.00 0.00 H new ATOM 0 HA ALA A 79 4.181 -28.911 -7.189 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.791 -27.751 -5.083 1.00 0.00 H new ATOM 0 HB2 ALA A 79 4.403 -26.644 -6.422 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.219 -26.917 -5.121 1.00 0.00 H new TER 1192 ALA A 79