USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=5 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 MET CE :methyl -177:sc= 0 (180deg=-0.0223) USER MOD Single : A 10 TYR OH : rot -53:sc= 0.0607 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+ -123:sc= 0 (180deg=-0.51) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot -94:sc= 1.06 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.028) 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 14.516 -28.587 1.595 1.00 0.00 N ATOM 2 CA MET A 1 15.639 -28.495 0.627 1.00 0.00 C ATOM 3 C MET A 1 15.109 -28.331 -0.826 1.00 0.00 C ATOM 4 O MET A 1 15.245 -27.245 -1.397 1.00 0.00 O ATOM 5 CB MET A 1 16.653 -29.659 0.813 1.00 0.00 C ATOM 6 CG MET A 1 17.459 -29.637 2.124 1.00 0.00 C ATOM 7 SD MET A 1 18.611 -31.024 2.137 1.00 0.00 S ATOM 8 CE MET A 1 19.400 -30.771 3.737 1.00 0.00 C ATOM 0 H1 MET A 1 14.895 -28.696 2.557 1.00 0.00 H new ATOM 0 H2 MET A 1 13.943 -27.721 1.545 1.00 0.00 H new ATOM 0 H3 MET A 1 13.923 -29.409 1.362 1.00 0.00 H new ATOM 0 HA MET A 1 16.210 -27.590 0.836 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.110 -30.602 0.757 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.353 -29.644 -0.023 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.003 -28.697 2.215 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.786 -29.700 2.979 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.145 -31.549 3.902 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.885 -29.795 3.753 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.648 -30.815 4.525 1.00 0.00 H new ATOM 19 N GLU A 2 14.516 -29.386 -1.420 1.00 0.00 N ATOM 20 CA GLU A 2 13.960 -29.341 -2.803 1.00 0.00 C ATOM 21 C GLU A 2 12.426 -29.095 -2.719 1.00 0.00 C ATOM 22 O GLU A 2 11.998 -27.949 -2.882 1.00 0.00 O ATOM 23 CB GLU A 2 14.391 -30.597 -3.621 1.00 0.00 C ATOM 24 CG GLU A 2 15.859 -30.644 -4.117 1.00 0.00 C ATOM 25 CD GLU A 2 16.920 -30.885 -3.038 1.00 0.00 C ATOM 26 OE1 GLU A 2 16.981 -31.907 -2.357 1.00 0.00 O ATOM 27 OE2 GLU A 2 17.787 -29.835 -2.917 1.00 0.00 O ATOM 0 H GLU A 2 14.405 -30.292 -0.964 1.00 0.00 H new ATOM 0 HA GLU A 2 14.375 -28.506 -3.367 1.00 0.00 H new ATOM 0 HB2 GLU A 2 14.213 -31.479 -3.006 1.00 0.00 H new ATOM 0 HB3 GLU A 2 13.737 -30.676 -4.490 1.00 0.00 H new ATOM 0 HG2 GLU A 2 15.945 -31.431 -4.866 1.00 0.00 H new ATOM 0 HG3 GLU A 2 16.084 -29.702 -4.617 1.00 0.00 H new ATOM 35 N ASN A 3 11.600 -30.125 -2.422 1.00 0.00 N ATOM 36 CA ASN A 3 10.128 -29.963 -2.261 1.00 0.00 C ATOM 37 C ASN A 3 9.655 -29.078 -1.070 1.00 0.00 C ATOM 38 O ASN A 3 8.757 -28.257 -1.242 1.00 0.00 O ATOM 39 CB ASN A 3 9.431 -31.352 -2.317 1.00 0.00 C ATOM 40 CG ASN A 3 7.898 -31.305 -2.475 1.00 0.00 C ATOM 41 OD1 ASN A 3 7.151 -31.282 -1.500 1.00 0.00 O ATOM 42 ND2 ASN A 3 7.391 -31.269 -3.692 1.00 0.00 N ATOM 0 H ASN A 3 11.925 -31.082 -2.288 1.00 0.00 H new ATOM 0 HA ASN A 3 9.803 -29.367 -3.114 1.00 0.00 H new ATOM 0 HB2 ASN A 3 9.850 -31.919 -3.149 1.00 0.00 H new ATOM 0 HB3 ASN A 3 9.671 -31.899 -1.405 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.380 -31.222 -3.822 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.009 -31.288 -4.503 1.00 0.00 H new ATOM 49 N LEU A 4 10.280 -29.242 0.100 1.00 0.00 N ATOM 50 CA LEU A 4 9.993 -28.436 1.325 1.00 0.00 C ATOM 51 C LEU A 4 10.236 -26.898 1.162 1.00 0.00 C ATOM 52 O LEU A 4 9.357 -26.117 1.529 1.00 0.00 O ATOM 53 CB LEU A 4 10.750 -29.017 2.557 1.00 0.00 C ATOM 54 CG LEU A 4 10.158 -30.285 3.237 1.00 0.00 C ATOM 55 CD1 LEU A 4 10.261 -31.568 2.388 1.00 0.00 C ATOM 56 CD2 LEU A 4 10.848 -30.530 4.594 1.00 0.00 C ATOM 0 H LEU A 4 11.009 -29.941 0.241 1.00 0.00 H new ATOM 0 HA LEU A 4 8.920 -28.526 1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 4 11.769 -29.248 2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 4 10.816 -28.232 3.311 1.00 0.00 H new ATOM 0 HG LEU A 4 9.096 -30.076 3.365 1.00 0.00 H new ATOM 0 HD11 LEU A 4 9.825 -32.403 2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.722 -31.428 1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 4 11.309 -31.781 2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 4 10.426 -31.420 5.061 1.00 0.00 H new ATOM 0 HD22 LEU A 4 11.917 -30.674 4.438 1.00 0.00 H new ATOM 0 HD23 LEU A 4 10.689 -29.669 5.244 1.00 0.00 H new ATOM 68 N ASN A 5 11.366 -26.465 0.566 1.00 0.00 N ATOM 69 CA ASN A 5 11.555 -25.059 0.097 1.00 0.00 C ATOM 70 C ASN A 5 10.494 -24.532 -0.934 1.00 0.00 C ATOM 71 O ASN A 5 10.071 -23.378 -0.815 1.00 0.00 O ATOM 72 CB ASN A 5 13.013 -24.948 -0.428 1.00 0.00 C ATOM 73 CG ASN A 5 13.515 -23.514 -0.661 1.00 0.00 C ATOM 74 OD1 ASN A 5 13.763 -22.761 0.277 1.00 0.00 O ATOM 75 ND2 ASN A 5 13.675 -23.098 -1.902 1.00 0.00 N ATOM 0 H ASN A 5 12.171 -27.066 0.393 1.00 0.00 H new ATOM 0 HA ASN A 5 11.385 -24.394 0.944 1.00 0.00 H new ATOM 0 HB2 ASN A 5 13.677 -25.438 0.284 1.00 0.00 H new ATOM 0 HB3 ASN A 5 13.088 -25.499 -1.365 1.00 0.00 H new ATOM 0 HD21 ASN A 5 14.005 -22.150 -2.084 1.00 0.00 H new ATOM 0 HD22 ASN A 5 13.469 -23.724 -2.680 1.00 0.00 H new ATOM 82 N MET A 6 10.048 -25.355 -1.903 1.00 0.00 N ATOM 83 CA MET A 6 8.916 -25.006 -2.813 1.00 0.00 C ATOM 84 C MET A 6 7.511 -24.936 -2.131 1.00 0.00 C ATOM 85 O MET A 6 6.751 -24.027 -2.464 1.00 0.00 O ATOM 86 CB MET A 6 8.886 -25.943 -4.048 1.00 0.00 C ATOM 87 CG MET A 6 10.101 -25.849 -4.993 1.00 0.00 C ATOM 88 SD MET A 6 9.785 -26.739 -6.535 1.00 0.00 S ATOM 89 CE MET A 6 9.996 -28.458 -6.027 1.00 0.00 C ATOM 0 H MET A 6 10.451 -26.274 -2.084 1.00 0.00 H new ATOM 0 HA MET A 6 9.122 -23.985 -3.133 1.00 0.00 H new ATOM 0 HB2 MET A 6 8.801 -26.972 -3.698 1.00 0.00 H new ATOM 0 HB3 MET A 6 7.985 -25.727 -4.623 1.00 0.00 H new ATOM 0 HG2 MET A 6 10.319 -24.803 -5.210 1.00 0.00 H new ATOM 0 HG3 MET A 6 10.982 -26.263 -4.503 1.00 0.00 H new ATOM 0 HE1 MET A 6 9.882 -29.110 -6.893 1.00 0.00 H new ATOM 0 HE2 MET A 6 10.990 -28.592 -5.600 1.00 0.00 H new ATOM 0 HE3 MET A 6 9.243 -28.712 -5.280 1.00 0.00 H new ATOM 99 N ASP A 7 7.181 -25.831 -1.169 1.00 0.00 N ATOM 100 CA ASP A 7 6.014 -25.683 -0.255 1.00 0.00 C ATOM 101 C ASP A 7 6.035 -24.373 0.596 1.00 0.00 C ATOM 102 O ASP A 7 5.019 -23.680 0.674 1.00 0.00 O ATOM 103 CB ASP A 7 5.886 -26.909 0.700 1.00 0.00 C ATOM 104 CG ASP A 7 5.586 -28.274 0.070 1.00 0.00 C ATOM 105 OD1 ASP A 7 4.545 -28.534 -0.527 1.00 0.00 O ATOM 106 OD2 ASP A 7 6.588 -29.177 0.284 1.00 0.00 O ATOM 0 H ASP A 7 7.718 -26.682 -1.001 1.00 0.00 H new ATOM 0 HA ASP A 7 5.148 -25.626 -0.914 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.816 -26.996 1.261 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.098 -26.692 1.421 1.00 0.00 H new ATOM 112 N LEU A 8 7.189 -24.032 1.202 1.00 0.00 N ATOM 113 CA LEU A 8 7.384 -22.765 1.959 1.00 0.00 C ATOM 114 C LEU A 8 7.249 -21.453 1.119 1.00 0.00 C ATOM 115 O LEU A 8 6.575 -20.518 1.567 1.00 0.00 O ATOM 116 CB LEU A 8 8.743 -22.810 2.721 1.00 0.00 C ATOM 117 CG LEU A 8 8.857 -23.813 3.905 1.00 0.00 C ATOM 118 CD1 LEU A 8 10.330 -24.005 4.312 1.00 0.00 C ATOM 119 CD2 LEU A 8 8.032 -23.379 5.133 1.00 0.00 C ATOM 0 H LEU A 8 8.019 -24.625 1.184 1.00 0.00 H new ATOM 0 HA LEU A 8 6.555 -22.713 2.664 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.527 -23.045 2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.950 -21.810 3.103 1.00 0.00 H new ATOM 0 HG LEU A 8 8.446 -24.759 3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.389 -24.710 5.141 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.894 -24.394 3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.750 -23.047 4.619 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.149 -24.115 5.928 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.383 -22.408 5.483 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.980 -23.306 4.857 1.00 0.00 H new ATOM 131 N LEU A 9 7.861 -21.388 -0.084 1.00 0.00 N ATOM 132 CA LEU A 9 7.763 -20.223 -1.002 1.00 0.00 C ATOM 133 C LEU A 9 6.317 -19.979 -1.539 1.00 0.00 C ATOM 134 O LEU A 9 5.770 -18.893 -1.343 1.00 0.00 O ATOM 135 CB LEU A 9 8.819 -20.397 -2.133 1.00 0.00 C ATOM 136 CG LEU A 9 9.253 -19.099 -2.867 1.00 0.00 C ATOM 137 CD1 LEU A 9 10.150 -18.196 -1.997 1.00 0.00 C ATOM 138 CD2 LEU A 9 9.989 -19.439 -4.177 1.00 0.00 C ATOM 0 H LEU A 9 8.440 -22.143 -0.450 1.00 0.00 H new ATOM 0 HA LEU A 9 7.987 -19.313 -0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.707 -20.862 -1.705 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.419 -21.092 -2.872 1.00 0.00 H new ATOM 0 HG LEU A 9 8.339 -18.547 -3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 9 10.423 -17.304 -2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.609 -17.905 -1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 9 11.053 -18.740 -1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.285 -18.517 -4.678 1.00 0.00 H new ATOM 0 HD22 LEU A 9 10.876 -20.032 -3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.327 -20.009 -4.829 1.00 0.00 H new ATOM 150 N TYR A 10 5.699 -21.013 -2.145 1.00 0.00 N ATOM 151 CA TYR A 10 4.229 -21.141 -2.347 1.00 0.00 C ATOM 152 C TYR A 10 3.310 -20.607 -1.209 1.00 0.00 C ATOM 153 O TYR A 10 2.503 -19.713 -1.472 1.00 0.00 O ATOM 154 CB TYR A 10 3.986 -22.656 -2.634 1.00 0.00 C ATOM 155 CG TYR A 10 2.530 -23.163 -2.636 1.00 0.00 C ATOM 156 CD1 TYR A 10 1.668 -22.861 -3.688 1.00 0.00 C ATOM 157 CD2 TYR A 10 2.072 -23.970 -1.586 1.00 0.00 C ATOM 158 CE1 TYR A 10 0.365 -23.359 -3.692 1.00 0.00 C ATOM 159 CE2 TYR A 10 0.761 -24.439 -1.575 1.00 0.00 C ATOM 160 CZ TYR A 10 -0.094 -24.126 -2.625 1.00 0.00 C ATOM 161 OH TYR A 10 -1.389 -24.572 -2.609 1.00 0.00 O ATOM 0 H TYR A 10 6.217 -21.808 -2.520 1.00 0.00 H new ATOM 0 HA TYR A 10 3.938 -20.488 -3.170 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.422 -22.887 -3.606 1.00 0.00 H new ATOM 0 HB3 TYR A 10 4.540 -23.231 -1.891 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.010 -22.240 -4.503 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.741 -24.230 -0.779 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.289 -23.149 -4.525 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.409 -25.044 -0.753 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.997 -23.815 -2.743 1.00 0.00 H new ATOM 171 N MET A 11 3.400 -21.183 0.010 1.00 0.00 N ATOM 172 CA MET A 11 2.470 -20.853 1.111 1.00 0.00 C ATOM 173 C MET A 11 2.582 -19.367 1.572 1.00 0.00 C ATOM 174 O MET A 11 1.558 -18.688 1.629 1.00 0.00 O ATOM 175 CB MET A 11 2.619 -21.816 2.324 1.00 0.00 C ATOM 176 CG MET A 11 2.058 -23.233 2.127 1.00 0.00 C ATOM 177 SD MET A 11 2.296 -24.194 3.633 1.00 0.00 S ATOM 178 CE MET A 11 1.853 -25.833 3.027 1.00 0.00 C ATOM 0 H MET A 11 4.106 -21.877 0.255 1.00 0.00 H new ATOM 0 HA MET A 11 1.471 -20.992 0.697 1.00 0.00 H new ATOM 0 HB2 MET A 11 3.677 -21.896 2.572 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.123 -21.366 3.184 1.00 0.00 H new ATOM 0 HG2 MET A 11 0.998 -23.184 1.879 1.00 0.00 H new ATOM 0 HG3 MET A 11 2.559 -23.720 1.290 1.00 0.00 H new ATOM 0 HE1 MET A 11 1.945 -26.557 3.836 1.00 0.00 H new ATOM 0 HE2 MET A 11 0.825 -25.822 2.666 1.00 0.00 H new ATOM 0 HE3 MET A 11 2.521 -26.112 2.212 1.00 0.00 H new ATOM 188 N ALA A 12 3.808 -18.851 1.819 1.00 0.00 N ATOM 189 CA ALA A 12 4.071 -17.402 1.968 1.00 0.00 C ATOM 190 C ALA A 12 3.598 -16.464 0.814 1.00 0.00 C ATOM 191 O ALA A 12 3.043 -15.413 1.121 1.00 0.00 O ATOM 192 CB ALA A 12 5.574 -17.228 2.260 1.00 0.00 C ATOM 0 H ALA A 12 4.643 -19.428 1.921 1.00 0.00 H new ATOM 0 HA ALA A 12 3.444 -17.066 2.793 1.00 0.00 H new ATOM 0 HB1 ALA A 12 5.802 -16.168 2.376 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.830 -17.756 3.178 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.155 -17.636 1.433 1.00 0.00 H new ATOM 198 N ALA A 13 3.772 -16.829 -0.471 1.00 0.00 N ATOM 199 CA ALA A 13 3.253 -16.077 -1.634 1.00 0.00 C ATOM 200 C ALA A 13 1.709 -16.037 -1.791 1.00 0.00 C ATOM 201 O ALA A 13 1.179 -14.943 -1.950 1.00 0.00 O ATOM 202 CB ALA A 13 3.983 -16.637 -2.867 1.00 0.00 C ATOM 0 H ALA A 13 4.286 -17.669 -0.736 1.00 0.00 H new ATOM 0 HA ALA A 13 3.465 -15.018 -1.489 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.639 -16.117 -3.761 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.057 -16.489 -2.752 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.771 -17.702 -2.963 1.00 0.00 H new ATOM 208 N ALA A 14 0.981 -17.164 -1.697 1.00 0.00 N ATOM 209 CA ALA A 14 -0.501 -17.160 -1.504 1.00 0.00 C ATOM 210 C ALA A 14 -1.051 -16.475 -0.210 1.00 0.00 C ATOM 211 O ALA A 14 -2.049 -15.753 -0.295 1.00 0.00 O ATOM 212 CB ALA A 14 -1.018 -18.603 -1.629 1.00 0.00 C ATOM 0 H ALA A 14 1.387 -18.098 -1.750 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.890 -16.517 -2.293 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.099 -18.615 -1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.775 -18.992 -2.618 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.547 -19.225 -0.868 1.00 0.00 H new ATOM 218 N VAL A 15 -0.394 -16.621 0.962 1.00 0.00 N ATOM 219 CA VAL A 15 -0.647 -15.748 2.155 1.00 0.00 C ATOM 220 C VAL A 15 -0.448 -14.216 1.853 1.00 0.00 C ATOM 221 O VAL A 15 -1.361 -13.427 2.106 1.00 0.00 O ATOM 222 CB VAL A 15 0.087 -16.288 3.428 1.00 0.00 C ATOM 223 CG1 VAL A 15 0.083 -15.338 4.652 1.00 0.00 C ATOM 224 CG2 VAL A 15 -0.468 -17.650 3.919 1.00 0.00 C ATOM 0 H VAL A 15 0.319 -17.334 1.118 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.708 -15.812 2.397 1.00 0.00 H new ATOM 0 HB VAL A 15 1.110 -16.386 3.066 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.617 -15.807 5.478 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.574 -14.402 4.387 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.945 -15.136 4.952 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.083 -17.970 4.804 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.524 -17.544 4.167 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.353 -18.395 3.132 1.00 0.00 H new ATOM 234 N MET A 16 0.695 -13.824 1.256 1.00 0.00 N ATOM 235 CA MET A 16 0.897 -12.484 0.629 1.00 0.00 C ATOM 236 C MET A 16 -0.170 -12.049 -0.430 1.00 0.00 C ATOM 237 O MET A 16 -0.623 -10.908 -0.362 1.00 0.00 O ATOM 238 CB MET A 16 2.349 -12.403 0.064 1.00 0.00 C ATOM 239 CG MET A 16 3.376 -11.775 1.026 1.00 0.00 C ATOM 240 SD MET A 16 3.509 -12.743 2.545 1.00 0.00 S ATOM 241 CE MET A 16 4.652 -11.710 3.479 1.00 0.00 C ATOM 0 H MET A 16 1.516 -14.426 1.190 1.00 0.00 H new ATOM 0 HA MET A 16 0.751 -11.754 1.425 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.681 -13.408 -0.195 1.00 0.00 H new ATOM 0 HB3 MET A 16 2.334 -11.824 -0.859 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.350 -11.719 0.539 1.00 0.00 H new ATOM 0 HG3 MET A 16 3.080 -10.754 1.265 1.00 0.00 H new ATOM 0 HE1 MET A 16 4.844 -12.166 4.450 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.589 -11.617 2.931 1.00 0.00 H new ATOM 0 HE3 MET A 16 4.215 -10.721 3.622 1.00 0.00 H new ATOM 251 N MET A 17 -0.609 -12.919 -1.361 1.00 0.00 N ATOM 252 CA MET A 17 -1.749 -12.626 -2.293 1.00 0.00 C ATOM 253 C MET A 17 -3.123 -12.252 -1.632 1.00 0.00 C ATOM 254 O MET A 17 -3.808 -11.356 -2.137 1.00 0.00 O ATOM 255 CB MET A 17 -1.820 -13.710 -3.417 1.00 0.00 C ATOM 256 CG MET A 17 -2.958 -14.749 -3.437 1.00 0.00 C ATOM 257 SD MET A 17 -4.487 -13.996 -4.032 1.00 0.00 S ATOM 258 CE MET A 17 -5.643 -15.337 -3.700 1.00 0.00 C ATOM 0 H MET A 17 -0.196 -13.842 -1.499 1.00 0.00 H new ATOM 0 HA MET A 17 -1.513 -11.673 -2.766 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.851 -13.182 -4.370 1.00 0.00 H new ATOM 0 HB3 MET A 17 -0.881 -14.263 -3.389 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.684 -15.586 -4.079 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.109 -15.152 -2.435 1.00 0.00 H new ATOM 0 HE1 MET A 17 -6.645 -15.039 -4.010 1.00 0.00 H new ATOM 0 HE2 MET A 17 -5.340 -16.224 -4.256 1.00 0.00 H new ATOM 0 HE3 MET A 17 -5.645 -15.560 -2.633 1.00 0.00 H new ATOM 268 N GLY A 18 -3.506 -12.907 -0.517 1.00 0.00 N ATOM 269 CA GLY A 18 -4.692 -12.498 0.290 1.00 0.00 C ATOM 270 C GLY A 18 -4.535 -11.320 1.288 1.00 0.00 C ATOM 271 O GLY A 18 -5.528 -10.659 1.593 1.00 0.00 O ATOM 0 H GLY A 18 -3.016 -13.722 -0.148 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.493 -12.241 -0.403 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.026 -13.369 0.854 1.00 0.00 H new ATOM 275 N LEU A 19 -3.313 -11.057 1.783 1.00 0.00 N ATOM 276 CA LEU A 19 -2.972 -9.898 2.660 1.00 0.00 C ATOM 277 C LEU A 19 -3.502 -8.482 2.202 1.00 0.00 C ATOM 278 O LEU A 19 -4.111 -7.833 3.058 1.00 0.00 O ATOM 279 CB LEU A 19 -1.442 -10.028 2.930 1.00 0.00 C ATOM 280 CG LEU A 19 -0.784 -9.081 3.973 1.00 0.00 C ATOM 281 CD1 LEU A 19 0.520 -9.705 4.511 1.00 0.00 C ATOM 282 CD2 LEU A 19 -0.458 -7.680 3.411 1.00 0.00 C ATOM 0 H LEU A 19 -2.508 -11.652 1.586 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.527 -9.947 3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.248 -11.053 3.246 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.926 -9.884 1.981 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.519 -8.958 4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.971 -9.032 5.240 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.297 -10.660 4.987 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.214 -9.864 3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.001 -7.072 4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.234 -7.776 2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.376 -7.202 3.070 1.00 0.00 H new ATOM 294 N PRO A 20 -3.382 -7.976 0.932 1.00 0.00 N ATOM 295 CA PRO A 20 -4.115 -6.773 0.436 1.00 0.00 C ATOM 296 C PRO A 20 -5.645 -6.611 0.686 1.00 0.00 C ATOM 297 O PRO A 20 -6.095 -5.473 0.833 1.00 0.00 O ATOM 298 CB PRO A 20 -3.822 -6.798 -1.067 1.00 0.00 C ATOM 299 CG PRO A 20 -2.466 -7.488 -1.186 1.00 0.00 C ATOM 300 CD PRO A 20 -2.485 -8.541 -0.089 1.00 0.00 C ATOM 0 HA PRO A 20 -3.760 -5.921 1.016 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.593 -7.343 -1.612 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.791 -5.790 -1.481 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.334 -7.940 -2.169 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.647 -6.783 -1.047 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.855 -9.497 -0.460 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.487 -8.719 0.311 1.00 0.00 H new ATOM 308 N ALA A 21 -6.434 -7.706 0.761 1.00 0.00 N ATOM 309 CA ALA A 21 -7.850 -7.644 1.231 1.00 0.00 C ATOM 310 C ALA A 21 -8.105 -7.086 2.673 1.00 0.00 C ATOM 311 O ALA A 21 -9.155 -6.483 2.907 1.00 0.00 O ATOM 312 CB ALA A 21 -8.472 -9.043 1.057 1.00 0.00 C ATOM 0 H ALA A 21 -6.123 -8.643 0.505 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.334 -6.892 0.607 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.508 -9.025 1.394 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.437 -9.329 0.006 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.911 -9.767 1.648 1.00 0.00 H new ATOM 318 N ILE A 22 -7.148 -7.238 3.605 1.00 0.00 N ATOM 319 CA ILE A 22 -7.065 -6.403 4.841 1.00 0.00 C ATOM 320 C ILE A 22 -6.279 -5.075 4.542 1.00 0.00 C ATOM 321 O ILE A 22 -6.836 -3.993 4.741 1.00 0.00 O ATOM 322 CB ILE A 22 -6.498 -7.243 6.047 1.00 0.00 C ATOM 323 CG1 ILE A 22 -7.233 -8.590 6.339 1.00 0.00 C ATOM 324 CG2 ILE A 22 -6.383 -6.426 7.360 1.00 0.00 C ATOM 325 CD1 ILE A 22 -8.734 -8.510 6.671 1.00 0.00 C ATOM 0 H ILE A 22 -6.408 -7.937 3.534 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.063 -6.096 5.154 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.500 -7.504 5.693 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.112 -9.237 5.470 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.727 -9.078 7.172 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.986 -7.062 8.151 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.713 -5.580 7.205 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.368 -6.060 7.648 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.121 -9.513 6.852 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.877 -7.899 7.562 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.268 -8.061 5.834 1.00 0.00 H new ATOM 337 N GLY A 23 -5.006 -5.145 4.097 1.00 0.00 N ATOM 338 CA GLY A 23 -4.094 -3.972 4.026 1.00 0.00 C ATOM 339 C GLY A 23 -4.445 -2.833 3.044 1.00 0.00 C ATOM 340 O GLY A 23 -4.717 -1.714 3.484 1.00 0.00 O ATOM 0 H GLY A 23 -4.577 -6.013 3.776 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.027 -3.541 5.025 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.100 -4.338 3.769 1.00 0.00 H new ATOM 344 N ALA A 24 -4.426 -3.108 1.730 1.00 0.00 N ATOM 345 CA ALA A 24 -4.804 -2.112 0.688 1.00 0.00 C ATOM 346 C ALA A 24 -6.307 -1.701 0.557 1.00 0.00 C ATOM 347 O ALA A 24 -6.598 -0.598 0.087 1.00 0.00 O ATOM 348 CB ALA A 24 -4.252 -2.622 -0.653 1.00 0.00 C ATOM 0 H ALA A 24 -4.152 -4.015 1.352 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.360 -1.172 1.015 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.509 -1.917 -1.444 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.168 -2.715 -0.588 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.687 -3.596 -0.879 1.00 0.00 H new ATOM 354 N ALA A 25 -7.238 -2.562 1.000 1.00 0.00 N ATOM 355 CA ALA A 25 -8.676 -2.217 1.168 1.00 0.00 C ATOM 356 C ALA A 25 -8.986 -1.225 2.334 1.00 0.00 C ATOM 357 O ALA A 25 -9.715 -0.253 2.121 1.00 0.00 O ATOM 358 CB ALA A 25 -9.465 -3.530 1.314 1.00 0.00 C ATOM 0 H ALA A 25 -7.022 -3.525 1.256 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.987 -1.668 0.279 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.524 -3.306 1.439 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.326 -4.139 0.421 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.104 -4.076 2.186 1.00 0.00 H new ATOM 364 N ILE A 26 -8.380 -1.412 3.530 1.00 0.00 N ATOM 365 CA ILE A 26 -8.233 -0.327 4.558 1.00 0.00 C ATOM 366 C ILE A 26 -7.440 0.927 4.024 1.00 0.00 C ATOM 367 O ILE A 26 -7.805 2.047 4.389 1.00 0.00 O ATOM 368 CB ILE A 26 -7.680 -0.927 5.910 1.00 0.00 C ATOM 369 CG1 ILE A 26 -8.663 -1.962 6.551 1.00 0.00 C ATOM 370 CG2 ILE A 26 -7.320 0.141 6.981 1.00 0.00 C ATOM 371 CD1 ILE A 26 -8.082 -2.842 7.673 1.00 0.00 C ATOM 0 H ILE A 26 -7.980 -2.305 3.818 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.222 0.075 4.777 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.759 -1.427 5.611 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -9.521 -1.420 6.949 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.037 -2.614 5.762 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.948 -0.354 7.878 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.551 0.805 6.588 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.209 0.722 7.229 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.853 -3.519 8.040 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.245 -3.422 7.284 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.736 -2.209 8.490 1.00 0.00 H new ATOM 383 N GLY A 27 -6.418 0.763 3.149 1.00 0.00 N ATOM 384 CA GLY A 27 -5.754 1.891 2.442 1.00 0.00 C ATOM 385 C GLY A 27 -6.693 2.832 1.659 1.00 0.00 C ATOM 386 O GLY A 27 -6.881 3.974 2.078 1.00 0.00 O ATOM 0 H GLY A 27 -6.030 -0.150 2.913 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.205 2.482 3.174 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.020 1.480 1.749 1.00 0.00 H new ATOM 390 N ILE A 28 -7.343 2.337 0.589 1.00 0.00 N ATOM 391 CA ILE A 28 -8.385 3.109 -0.163 1.00 0.00 C ATOM 392 C ILE A 28 -9.588 3.554 0.737 1.00 0.00 C ATOM 393 O ILE A 28 -9.753 4.754 0.967 1.00 0.00 O ATOM 394 CB ILE A 28 -8.787 2.351 -1.486 1.00 0.00 C ATOM 395 CG1 ILE A 28 -7.606 2.092 -2.469 1.00 0.00 C ATOM 396 CG2 ILE A 28 -9.955 3.011 -2.270 1.00 0.00 C ATOM 397 CD1 ILE A 28 -6.828 3.345 -2.903 1.00 0.00 C ATOM 0 H ILE A 28 -7.173 1.404 0.214 1.00 0.00 H new ATOM 0 HA ILE A 28 -7.949 4.057 -0.479 1.00 0.00 H new ATOM 0 HB ILE A 28 -9.127 1.390 -1.101 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.910 1.396 -2.000 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -7.997 1.600 -3.360 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -10.168 2.427 -3.166 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -10.843 3.045 -1.639 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -9.674 4.025 -2.556 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.028 3.058 -3.586 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.504 4.037 -3.406 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.400 3.830 -2.025 1.00 0.00 H new ATOM 409 N GLY A 29 -10.400 2.611 1.246 1.00 0.00 N ATOM 410 CA GLY A 29 -11.617 2.928 2.043 1.00 0.00 C ATOM 411 C GLY A 29 -11.452 3.829 3.290 1.00 0.00 C ATOM 412 O GLY A 29 -12.057 4.902 3.361 1.00 0.00 O ATOM 0 H GLY A 29 -10.240 1.611 1.122 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -12.337 3.406 1.378 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.059 1.986 2.367 1.00 0.00 H new ATOM 416 N ILE A 30 -10.632 3.390 4.256 1.00 0.00 N ATOM 417 CA ILE A 30 -10.387 4.142 5.523 1.00 0.00 C ATOM 418 C ILE A 30 -9.332 5.277 5.326 1.00 0.00 C ATOM 419 O ILE A 30 -9.593 6.375 5.819 1.00 0.00 O ATOM 420 CB ILE A 30 -10.125 3.134 6.711 1.00 0.00 C ATOM 421 CG1 ILE A 30 -11.396 2.388 7.231 1.00 0.00 C ATOM 422 CG2 ILE A 30 -9.460 3.776 7.957 1.00 0.00 C ATOM 423 CD1 ILE A 30 -12.098 1.429 6.256 1.00 0.00 C ATOM 0 H ILE A 30 -10.117 2.512 4.195 1.00 0.00 H new ATOM 0 HA ILE A 30 -11.282 4.690 5.817 1.00 0.00 H new ATOM 0 HB ILE A 30 -9.446 2.425 6.237 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -11.115 1.821 8.118 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -12.121 3.137 7.548 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.316 3.016 8.725 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.494 4.197 7.678 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.102 4.567 8.345 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -12.962 0.981 6.746 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.426 1.981 5.375 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -11.404 0.644 5.955 1.00 0.00 H new ATOM 435 N LEU A 31 -8.178 5.067 4.660 1.00 0.00 N ATOM 436 CA LEU A 31 -7.152 6.139 4.479 1.00 0.00 C ATOM 437 C LEU A 31 -7.333 7.024 3.194 1.00 0.00 C ATOM 438 O LEU A 31 -6.675 8.059 3.100 1.00 0.00 O ATOM 439 CB LEU A 31 -5.727 5.544 4.704 1.00 0.00 C ATOM 440 CG LEU A 31 -5.523 4.757 6.039 1.00 0.00 C ATOM 441 CD1 LEU A 31 -4.218 3.950 6.067 1.00 0.00 C ATOM 442 CD2 LEU A 31 -5.588 5.662 7.285 1.00 0.00 C ATOM 0 H LEU A 31 -7.925 4.174 4.237 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.308 6.889 5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.496 4.878 3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.004 6.359 4.670 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.360 4.060 6.073 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.134 3.426 7.019 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.221 3.225 5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.370 4.625 5.948 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.439 5.059 8.181 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.808 6.421 7.225 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.563 6.147 7.332 1.00 0.00 H new ATOM 454 N GLY A 32 -8.278 6.731 2.273 1.00 0.00 N ATOM 455 CA GLY A 32 -8.975 7.771 1.471 1.00 0.00 C ATOM 456 C GLY A 32 -10.101 8.556 2.189 1.00 0.00 C ATOM 457 O GLY A 32 -10.159 9.778 2.033 1.00 0.00 O ATOM 0 H GLY A 32 -8.579 5.779 2.063 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.231 8.486 1.119 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.401 7.293 0.589 1.00 0.00 H new ATOM 461 N GLY A 33 -10.972 7.891 2.982 1.00 0.00 N ATOM 462 CA GLY A 33 -11.939 8.588 3.880 1.00 0.00 C ATOM 463 C GLY A 33 -11.346 9.572 4.924 1.00 0.00 C ATOM 464 O GLY A 33 -11.725 10.746 4.946 1.00 0.00 O ATOM 0 H GLY A 33 -11.030 6.873 3.023 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.644 9.139 3.257 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.511 7.830 4.415 1.00 0.00 H new ATOM 468 N LYS A 34 -10.383 9.104 5.739 1.00 0.00 N ATOM 469 CA LYS A 34 -9.533 9.978 6.600 1.00 0.00 C ATOM 470 C LYS A 34 -8.693 11.081 5.863 1.00 0.00 C ATOM 471 O LYS A 34 -8.580 12.190 6.392 1.00 0.00 O ATOM 472 CB LYS A 34 -8.644 9.053 7.476 1.00 0.00 C ATOM 473 CG LYS A 34 -8.065 9.735 8.735 1.00 0.00 C ATOM 474 CD LYS A 34 -7.112 8.865 9.585 1.00 0.00 C ATOM 475 CE LYS A 34 -7.773 7.842 10.533 1.00 0.00 C ATOM 476 NZ LYS A 34 -8.222 6.616 9.845 1.00 0.00 N ATOM 0 H LYS A 34 -10.164 8.112 5.826 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.209 10.580 7.207 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.232 8.188 7.783 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.820 8.679 6.868 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.530 10.633 8.427 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.894 10.058 9.366 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.449 8.325 8.909 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.486 9.528 10.182 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.065 7.572 11.317 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.627 8.310 11.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.240 6.479 10.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.045 6.706 8.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.698 5.798 10.216 1.00 0.00 H new ATOM 489 N PHE A 35 -8.147 10.816 4.654 1.00 0.00 N ATOM 490 CA PHE A 35 -7.624 11.869 3.733 1.00 0.00 C ATOM 491 C PHE A 35 -8.614 13.031 3.427 1.00 0.00 C ATOM 492 O PHE A 35 -8.233 14.195 3.552 1.00 0.00 O ATOM 493 CB PHE A 35 -7.013 11.188 2.459 1.00 0.00 C ATOM 494 CG PHE A 35 -6.883 12.022 1.170 1.00 0.00 C ATOM 495 CD1 PHE A 35 -5.907 13.013 1.091 1.00 0.00 C ATOM 496 CD2 PHE A 35 -7.783 11.858 0.111 1.00 0.00 C ATOM 497 CE1 PHE A 35 -5.819 13.828 -0.037 1.00 0.00 C ATOM 498 CE2 PHE A 35 -7.693 12.668 -1.019 1.00 0.00 C ATOM 499 CZ PHE A 35 -6.709 13.652 -1.091 1.00 0.00 C ATOM 0 H PHE A 35 -8.054 9.870 4.284 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.826 12.395 4.258 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -6.019 10.826 2.721 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -7.620 10.313 2.228 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -5.214 13.151 1.908 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -8.550 11.100 0.170 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -5.061 14.595 -0.092 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -8.385 12.533 -1.838 1.00 0.00 H new ATOM 0 HZ PHE A 35 -6.637 14.279 -1.967 1.00 0.00 H new ATOM 509 N LEU A 36 -9.846 12.713 3.008 1.00 0.00 N ATOM 510 CA LEU A 36 -10.883 13.726 2.697 1.00 0.00 C ATOM 511 C LEU A 36 -11.439 14.540 3.912 1.00 0.00 C ATOM 512 O LEU A 36 -11.657 15.745 3.774 1.00 0.00 O ATOM 513 CB LEU A 36 -11.973 13.049 1.817 1.00 0.00 C ATOM 514 CG LEU A 36 -12.523 13.953 0.685 1.00 0.00 C ATOM 515 CD1 LEU A 36 -11.480 14.103 -0.444 1.00 0.00 C ATOM 516 CD2 LEU A 36 -13.840 13.397 0.115 1.00 0.00 C ATOM 0 H LEU A 36 -10.159 11.752 2.873 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.405 14.527 2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.557 12.144 1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.801 12.741 2.456 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.725 14.934 1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.884 14.741 -1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.572 14.552 -0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.247 13.122 -0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -14.200 14.054 -0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -13.669 12.400 -0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -14.586 13.343 0.908 1.00 0.00 H new ATOM 528 N GLU A 37 -11.567 13.934 5.111 1.00 0.00 N ATOM 529 CA GLU A 37 -11.580 14.656 6.406 1.00 0.00 C ATOM 530 C GLU A 37 -10.379 15.638 6.662 1.00 0.00 C ATOM 531 O GLU A 37 -10.605 16.773 7.094 1.00 0.00 O ATOM 532 CB GLU A 37 -11.689 13.537 7.485 1.00 0.00 C ATOM 533 CG GLU A 37 -12.488 13.908 8.740 1.00 0.00 C ATOM 534 CD GLU A 37 -11.806 14.890 9.697 1.00 0.00 C ATOM 535 OE1 GLU A 37 -10.885 14.579 10.450 1.00 0.00 O ATOM 536 OE2 GLU A 37 -12.333 16.148 9.612 1.00 0.00 O ATOM 0 H GLU A 37 -11.665 12.924 5.211 1.00 0.00 H new ATOM 0 HA GLU A 37 -12.420 15.350 6.428 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.148 12.660 7.029 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.682 13.249 7.788 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.441 14.336 8.428 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.714 12.993 9.288 1.00 0.00 H new ATOM 544 N GLY A 38 -9.130 15.227 6.349 1.00 0.00 N ATOM 545 CA GLY A 38 -7.964 16.147 6.279 1.00 0.00 C ATOM 546 C GLY A 38 -8.043 17.307 5.256 1.00 0.00 C ATOM 547 O GLY A 38 -7.749 18.441 5.632 1.00 0.00 O ATOM 0 H GLY A 38 -8.899 14.256 6.139 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.813 16.578 7.269 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.078 15.554 6.051 1.00 0.00 H new ATOM 551 N ALA A 39 -8.468 17.046 4.004 1.00 0.00 N ATOM 552 CA ALA A 39 -8.746 18.103 2.992 1.00 0.00 C ATOM 553 C ALA A 39 -9.859 19.139 3.347 1.00 0.00 C ATOM 554 O ALA A 39 -9.681 20.328 3.066 1.00 0.00 O ATOM 555 CB ALA A 39 -9.046 17.404 1.651 1.00 0.00 C ATOM 0 H ALA A 39 -8.630 16.100 3.659 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.851 18.723 2.946 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.254 18.154 0.888 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.184 16.810 1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -9.913 16.753 1.766 1.00 0.00 H new ATOM 561 N ALA A 40 -10.966 18.708 3.989 1.00 0.00 N ATOM 562 CA ALA A 40 -11.963 19.629 4.605 1.00 0.00 C ATOM 563 C ALA A 40 -11.419 20.588 5.716 1.00 0.00 C ATOM 564 O ALA A 40 -11.766 21.771 5.715 1.00 0.00 O ATOM 565 CB ALA A 40 -13.130 18.762 5.118 1.00 0.00 C ATOM 0 H ALA A 40 -11.199 17.721 4.098 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.282 20.327 3.831 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.884 19.401 5.578 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -13.574 18.219 4.284 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -12.758 18.051 5.856 1.00 0.00 H new ATOM 571 N ARG A 41 -10.547 20.101 6.623 1.00 0.00 N ATOM 572 CA ARG A 41 -9.774 20.949 7.567 1.00 0.00 C ATOM 573 C ARG A 41 -8.714 21.880 6.883 1.00 0.00 C ATOM 574 O ARG A 41 -8.802 23.104 7.008 1.00 0.00 O ATOM 575 CB ARG A 41 -9.209 19.952 8.617 1.00 0.00 C ATOM 576 CG ARG A 41 -8.357 20.553 9.752 1.00 0.00 C ATOM 577 CD ARG A 41 -7.889 19.453 10.721 1.00 0.00 C ATOM 578 NE ARG A 41 -6.918 19.971 11.719 1.00 0.00 N ATOM 579 CZ ARG A 41 -7.231 20.513 12.904 1.00 0.00 C ATOM 580 NH1 ARG A 41 -8.464 20.665 13.350 1.00 0.00 N ATOM 581 NH2 ARG A 41 -6.247 20.920 13.663 1.00 0.00 N ATOM 0 H ARG A 41 -10.355 19.104 6.725 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.403 21.698 8.047 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.047 19.419 9.066 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.605 19.212 8.093 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.492 21.066 9.332 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -8.938 21.299 10.294 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.752 19.033 11.238 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.431 18.642 10.155 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.928 19.909 11.482 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.254 20.361 12.780 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.627 21.087 14.264 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.283 20.819 13.346 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.444 21.338 14.572 1.00 0.00 H new ATOM 594 N GLN A 42 -7.714 21.293 6.205 1.00 0.00 N ATOM 595 CA GLN A 42 -6.572 22.018 5.594 1.00 0.00 C ATOM 596 C GLN A 42 -6.120 21.210 4.327 1.00 0.00 C ATOM 597 O GLN A 42 -5.636 20.084 4.493 1.00 0.00 O ATOM 598 CB GLN A 42 -5.395 22.163 6.603 1.00 0.00 C ATOM 599 CG GLN A 42 -5.506 23.350 7.589 1.00 0.00 C ATOM 600 CD GLN A 42 -4.347 23.431 8.591 1.00 0.00 C ATOM 601 OE1 GLN A 42 -4.419 22.913 9.702 1.00 0.00 O ATOM 602 NE2 GLN A 42 -3.255 24.079 8.235 1.00 0.00 N ATOM 0 H GLN A 42 -7.670 20.284 6.060 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.876 23.027 5.314 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.317 21.241 7.179 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.467 22.266 6.040 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.549 24.279 7.021 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.444 23.268 8.138 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.195 24.509 7.312 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -2.470 24.150 8.883 1.00 0.00 H new ATOM 611 N PRO A 43 -6.192 21.717 3.061 1.00 0.00 N ATOM 612 CA PRO A 43 -5.720 20.958 1.861 1.00 0.00 C ATOM 613 C PRO A 43 -4.189 20.702 1.663 1.00 0.00 C ATOM 614 O PRO A 43 -3.834 19.858 0.839 1.00 0.00 O ATOM 615 CB PRO A 43 -6.386 21.728 0.705 1.00 0.00 C ATOM 616 CG PRO A 43 -6.598 23.150 1.226 1.00 0.00 C ATOM 617 CD PRO A 43 -6.879 22.975 2.719 1.00 0.00 C ATOM 0 HA PRO A 43 -6.006 19.910 1.954 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.754 21.726 -0.183 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.333 21.269 0.423 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.717 23.769 1.058 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -7.431 23.638 0.720 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.492 23.813 3.300 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.949 22.914 2.920 1.00 0.00 H new ATOM 625 N ASP A 44 -3.307 21.368 2.430 1.00 0.00 N ATOM 626 CA ASP A 44 -1.873 20.967 2.561 1.00 0.00 C ATOM 627 C ASP A 44 -1.528 20.623 4.051 1.00 0.00 C ATOM 628 O ASP A 44 -0.675 21.255 4.681 1.00 0.00 O ATOM 629 CB ASP A 44 -0.960 22.067 1.948 1.00 0.00 C ATOM 630 CG ASP A 44 -1.027 22.189 0.421 1.00 0.00 C ATOM 631 OD1 ASP A 44 -0.378 21.482 -0.346 1.00 0.00 O ATOM 632 OD2 ASP A 44 -1.891 23.168 0.015 1.00 0.00 O ATOM 0 H ASP A 44 -3.554 22.193 2.976 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.689 20.054 1.995 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.230 23.028 2.386 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.071 21.864 2.236 1.00 0.00 H new ATOM 638 N LEU A 45 -2.189 19.582 4.599 1.00 0.00 N ATOM 639 CA LEU A 45 -1.990 19.121 6.002 1.00 0.00 C ATOM 640 C LEU A 45 -0.976 17.935 6.108 1.00 0.00 C ATOM 641 O LEU A 45 -0.806 17.138 5.179 1.00 0.00 O ATOM 642 CB LEU A 45 -3.421 18.826 6.543 1.00 0.00 C ATOM 643 CG LEU A 45 -3.606 18.430 8.027 1.00 0.00 C ATOM 644 CD1 LEU A 45 -3.151 19.515 9.021 1.00 0.00 C ATOM 645 CD2 LEU A 45 -5.079 18.066 8.296 1.00 0.00 C ATOM 0 H LEU A 45 -2.878 19.032 4.086 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.512 19.877 6.625 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.028 19.713 6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.841 18.024 5.936 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.961 17.567 8.193 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.312 19.165 10.041 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.092 19.724 8.872 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.727 20.425 8.855 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.200 17.789 9.343 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.713 18.924 8.073 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.368 17.227 7.663 1.00 0.00 H new ATOM 657 N ILE A 46 -0.313 17.804 7.277 1.00 0.00 N ATOM 658 CA ILE A 46 0.645 16.691 7.571 1.00 0.00 C ATOM 659 C ILE A 46 -0.112 15.308 7.638 1.00 0.00 C ATOM 660 O ILE A 46 0.223 14.472 6.793 1.00 0.00 O ATOM 661 CB ILE A 46 1.613 17.021 8.772 1.00 0.00 C ATOM 662 CG1 ILE A 46 2.560 18.247 8.552 1.00 0.00 C ATOM 663 CG2 ILE A 46 2.520 15.816 9.140 1.00 0.00 C ATOM 664 CD1 ILE A 46 1.928 19.643 8.686 1.00 0.00 C ATOM 0 H ILE A 46 -0.420 18.461 8.050 1.00 0.00 H new ATOM 0 HA ILE A 46 1.339 16.587 6.737 1.00 0.00 H new ATOM 0 HB ILE A 46 0.918 17.265 9.575 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.380 18.175 9.266 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.996 18.165 7.556 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.169 16.090 9.972 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.899 14.968 9.428 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.130 15.543 8.279 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.688 20.405 8.511 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.129 19.752 7.953 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.519 19.762 9.689 1.00 0.00 H new ATOM 676 N PRO A 47 -1.145 15.021 8.492 1.00 0.00 N ATOM 677 CA PRO A 47 -2.032 13.836 8.310 1.00 0.00 C ATOM 678 C PRO A 47 -2.807 13.666 6.957 1.00 0.00 C ATOM 679 O PRO A 47 -3.148 12.527 6.631 1.00 0.00 O ATOM 680 CB PRO A 47 -2.931 13.863 9.563 1.00 0.00 C ATOM 681 CG PRO A 47 -2.813 15.272 10.143 1.00 0.00 C ATOM 682 CD PRO A 47 -1.422 15.760 9.737 1.00 0.00 C ATOM 0 HA PRO A 47 -1.418 12.940 8.219 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.965 13.634 9.305 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.610 13.115 10.288 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.590 15.926 9.748 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -2.925 15.262 11.227 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.407 16.838 9.575 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -0.681 15.542 10.506 1.00 0.00 H new ATOM 690 N LEU A 48 -3.018 14.720 6.135 1.00 0.00 N ATOM 691 CA LEU A 48 -3.355 14.566 4.683 1.00 0.00 C ATOM 692 C LEU A 48 -2.240 13.878 3.835 1.00 0.00 C ATOM 693 O LEU A 48 -2.541 12.904 3.145 1.00 0.00 O ATOM 694 CB LEU A 48 -3.843 15.930 4.119 1.00 0.00 C ATOM 695 CG LEU A 48 -4.060 16.079 2.583 1.00 0.00 C ATOM 696 CD1 LEU A 48 -5.327 16.885 2.269 1.00 0.00 C ATOM 697 CD2 LEU A 48 -2.859 16.727 1.867 1.00 0.00 C ATOM 0 H LEU A 48 -2.963 15.691 6.444 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.178 13.856 4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.786 16.170 4.609 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.123 16.689 4.425 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.171 15.063 2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.447 16.969 1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.195 16.378 2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.241 17.881 2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.070 16.804 0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.686 17.723 2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.971 16.113 2.018 1.00 0.00 H new ATOM 709 N LEU A 49 -0.979 14.344 3.895 1.00 0.00 N ATOM 710 CA LEU A 49 0.178 13.635 3.261 1.00 0.00 C ATOM 711 C LEU A 49 0.489 12.201 3.804 1.00 0.00 C ATOM 712 O LEU A 49 0.922 11.358 3.017 1.00 0.00 O ATOM 713 CB LEU A 49 1.440 14.543 3.331 1.00 0.00 C ATOM 714 CG LEU A 49 1.387 15.912 2.590 1.00 0.00 C ATOM 715 CD1 LEU A 49 2.603 16.777 2.967 1.00 0.00 C ATOM 716 CD2 LEU A 49 1.309 15.760 1.058 1.00 0.00 C ATOM 0 H LEU A 49 -0.722 15.208 4.373 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.122 13.457 2.228 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.655 14.738 4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.283 13.978 2.932 1.00 0.00 H new ATOM 0 HG LEU A 49 0.470 16.405 2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.549 17.730 2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.602 16.957 4.042 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.520 16.258 2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.275 16.747 0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.187 15.222 0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.410 15.204 0.793 1.00 0.00 H new ATOM 728 N ARG A 50 0.220 11.900 5.092 1.00 0.00 N ATOM 729 CA ARG A 50 0.197 10.501 5.617 1.00 0.00 C ATOM 730 C ARG A 50 -0.888 9.600 4.947 1.00 0.00 C ATOM 731 O ARG A 50 -0.560 8.579 4.341 1.00 0.00 O ATOM 732 CB ARG A 50 -0.013 10.507 7.159 1.00 0.00 C ATOM 733 CG ARG A 50 1.081 11.163 8.036 1.00 0.00 C ATOM 734 CD ARG A 50 2.446 10.453 7.995 1.00 0.00 C ATOM 735 NE ARG A 50 3.400 11.146 8.895 1.00 0.00 N ATOM 736 CZ ARG A 50 4.696 10.835 9.026 1.00 0.00 C ATOM 737 NH1 ARG A 50 5.295 9.860 8.366 1.00 0.00 N ATOM 738 NH2 ARG A 50 5.411 11.544 9.860 1.00 0.00 N ATOM 0 H ARG A 50 0.013 12.606 5.798 1.00 0.00 H new ATOM 0 HA ARG A 50 1.166 10.069 5.367 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.956 11.013 7.366 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.128 9.473 7.485 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.214 12.196 7.716 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.732 11.192 9.068 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.334 9.413 8.300 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.832 10.447 6.976 1.00 0.00 H new ATOM 0 HE ARG A 50 3.042 11.918 9.457 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.765 9.289 7.707 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.288 9.678 8.515 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.978 12.304 10.384 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.402 11.337 9.986 1.00 0.00 H new ATOM 751 N THR A 51 -2.168 9.994 5.050 1.00 0.00 N ATOM 752 CA THR A 51 -3.319 9.303 4.435 1.00 0.00 C ATOM 753 C THR A 51 -3.257 9.149 2.879 1.00 0.00 C ATOM 754 O THR A 51 -3.454 8.030 2.405 1.00 0.00 O ATOM 755 CB THR A 51 -4.599 10.020 4.949 1.00 0.00 C ATOM 756 OG1 THR A 51 -4.565 11.422 4.710 1.00 0.00 O ATOM 757 CG2 THR A 51 -4.977 9.793 6.419 1.00 0.00 C ATOM 0 H THR A 51 -2.441 10.824 5.577 1.00 0.00 H new ATOM 0 HA THR A 51 -3.314 8.258 4.746 1.00 0.00 H new ATOM 0 HB THR A 51 -5.374 9.534 4.357 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.214 11.880 5.502 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.887 10.347 6.651 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.146 8.730 6.591 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.167 10.140 7.061 1.00 0.00 H new ATOM 765 N GLN A 52 -2.917 10.200 2.098 1.00 0.00 N ATOM 766 CA GLN A 52 -2.618 10.098 0.643 1.00 0.00 C ATOM 767 C GLN A 52 -1.433 9.165 0.226 1.00 0.00 C ATOM 768 O GLN A 52 -1.570 8.353 -0.699 1.00 0.00 O ATOM 769 CB GLN A 52 -2.471 11.540 0.068 1.00 0.00 C ATOM 770 CG GLN A 52 -3.113 11.773 -1.316 1.00 0.00 C ATOM 771 CD GLN A 52 -2.549 10.972 -2.500 1.00 0.00 C ATOM 772 OE1 GLN A 52 -3.116 9.968 -2.925 1.00 0.00 O ATOM 773 NE2 GLN A 52 -1.432 11.388 -3.063 1.00 0.00 N ATOM 0 H GLN A 52 -2.841 11.151 2.458 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.467 9.580 0.197 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.912 12.241 0.776 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.410 11.779 0.002 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.177 11.551 -1.235 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.025 12.833 -1.554 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.962 12.222 -2.709 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.037 10.876 -3.852 1.00 0.00 H new ATOM 782 N PHE A 53 -0.298 9.230 0.949 1.00 0.00 N ATOM 783 CA PHE A 53 0.750 8.164 0.924 1.00 0.00 C ATOM 784 C PHE A 53 0.217 6.703 1.113 1.00 0.00 C ATOM 785 O PHE A 53 0.578 5.837 0.316 1.00 0.00 O ATOM 786 CB PHE A 53 1.867 8.583 1.926 1.00 0.00 C ATOM 787 CG PHE A 53 3.033 7.607 2.167 1.00 0.00 C ATOM 788 CD1 PHE A 53 4.146 7.600 1.319 1.00 0.00 C ATOM 789 CD2 PHE A 53 3.006 6.750 3.273 1.00 0.00 C ATOM 790 CE1 PHE A 53 5.222 6.755 1.583 1.00 0.00 C ATOM 791 CE2 PHE A 53 4.082 5.905 3.534 1.00 0.00 C ATOM 792 CZ PHE A 53 5.192 5.913 2.693 1.00 0.00 C ATOM 0 H PHE A 53 -0.073 10.011 1.565 1.00 0.00 H new ATOM 0 HA PHE A 53 1.167 8.100 -0.081 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.289 9.526 1.579 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.394 8.780 2.888 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.171 8.251 0.458 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.147 6.744 3.927 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.080 6.753 0.927 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.056 5.244 4.388 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.031 5.266 2.901 1.00 0.00 H new ATOM 802 N PHE A 54 -0.664 6.443 2.093 1.00 0.00 N ATOM 803 CA PHE A 54 -1.362 5.148 2.250 1.00 0.00 C ATOM 804 C PHE A 54 -2.518 4.809 1.241 1.00 0.00 C ATOM 805 O PHE A 54 -2.880 3.634 1.128 1.00 0.00 O ATOM 806 CB PHE A 54 -1.823 5.037 3.726 1.00 0.00 C ATOM 807 CG PHE A 54 -0.723 4.999 4.817 1.00 0.00 C ATOM 808 CD1 PHE A 54 0.306 4.050 4.773 1.00 0.00 C ATOM 809 CD2 PHE A 54 -0.743 5.933 5.859 1.00 0.00 C ATOM 810 CE1 PHE A 54 1.317 4.062 5.732 1.00 0.00 C ATOM 811 CE2 PHE A 54 0.269 5.946 6.815 1.00 0.00 C ATOM 812 CZ PHE A 54 1.299 5.012 6.749 1.00 0.00 C ATOM 0 H PHE A 54 -0.916 7.128 2.806 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.632 4.383 1.985 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.479 5.882 3.938 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.425 4.134 3.824 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.316 3.305 3.991 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.549 6.649 5.922 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.114 3.335 5.686 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.255 6.680 7.607 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.086 5.025 7.489 1.00 0.00 H new ATOM 822 N ILE A 55 -3.050 5.778 0.462 1.00 0.00 N ATOM 823 CA ILE A 55 -3.820 5.509 -0.797 1.00 0.00 C ATOM 824 C ILE A 55 -2.900 4.810 -1.862 1.00 0.00 C ATOM 825 O ILE A 55 -3.258 3.723 -2.325 1.00 0.00 O ATOM 826 CB ILE A 55 -4.536 6.805 -1.345 1.00 0.00 C ATOM 827 CG1 ILE A 55 -5.545 7.429 -0.336 1.00 0.00 C ATOM 828 CG2 ILE A 55 -5.262 6.613 -2.704 1.00 0.00 C ATOM 829 CD1 ILE A 55 -6.074 8.822 -0.719 1.00 0.00 C ATOM 0 H ILE A 55 -2.964 6.771 0.679 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.627 4.814 -0.565 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.702 7.490 -1.496 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.393 6.752 -0.229 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.065 7.496 0.640 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.725 7.553 -3.005 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.541 6.305 -3.461 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.030 5.846 -2.601 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.769 9.170 0.045 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.240 9.519 -0.796 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.589 8.765 -1.678 1.00 0.00 H new ATOM 841 N VAL A 56 -1.736 5.403 -2.230 1.00 0.00 N ATOM 842 CA VAL A 56 -0.776 4.755 -3.181 1.00 0.00 C ATOM 843 C VAL A 56 -0.066 3.480 -2.605 1.00 0.00 C ATOM 844 O VAL A 56 -0.189 2.409 -3.205 1.00 0.00 O ATOM 845 CB VAL A 56 0.146 5.823 -3.864 1.00 0.00 C ATOM 846 CG1 VAL A 56 1.126 6.571 -2.929 1.00 0.00 C ATOM 847 CG2 VAL A 56 0.927 5.252 -5.068 1.00 0.00 C ATOM 0 H VAL A 56 -1.435 6.317 -1.892 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.353 4.321 -3.997 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.575 6.566 -4.205 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.711 7.283 -3.510 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.563 7.104 -2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.795 5.853 -2.454 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.549 6.035 -5.502 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.559 4.429 -4.734 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.225 4.889 -5.818 1.00 0.00 H new ATOM 857 N MET A 57 0.618 3.558 -1.447 1.00 0.00 N ATOM 858 CA MET A 57 1.264 2.394 -0.780 1.00 0.00 C ATOM 859 C MET A 57 0.332 1.195 -0.409 1.00 0.00 C ATOM 860 O MET A 57 0.754 0.046 -0.565 1.00 0.00 O ATOM 861 CB MET A 57 2.073 2.858 0.461 1.00 0.00 C ATOM 862 CG MET A 57 3.294 3.754 0.171 1.00 0.00 C ATOM 863 SD MET A 57 4.501 2.910 -0.877 1.00 0.00 S ATOM 864 CE MET A 57 5.439 1.971 0.345 1.00 0.00 C ATOM 0 H MET A 57 0.743 4.434 -0.939 1.00 0.00 H new ATOM 0 HA MET A 57 1.925 1.987 -1.545 1.00 0.00 H new ATOM 0 HB2 MET A 57 1.401 3.398 1.128 1.00 0.00 H new ATOM 0 HB3 MET A 57 2.415 1.974 0.999 1.00 0.00 H new ATOM 0 HG2 MET A 57 2.966 4.672 -0.317 1.00 0.00 H new ATOM 0 HG3 MET A 57 3.765 4.044 1.110 1.00 0.00 H new ATOM 0 HE1 MET A 57 6.220 1.400 -0.156 1.00 0.00 H new ATOM 0 HE2 MET A 57 5.893 2.657 1.061 1.00 0.00 H new ATOM 0 HE3 MET A 57 4.771 1.288 0.870 1.00 0.00 H new ATOM 874 N GLY A 58 -0.931 1.446 0.011 1.00 0.00 N ATOM 875 CA GLY A 58 -1.980 0.415 0.075 1.00 0.00 C ATOM 876 C GLY A 58 -2.267 -0.210 -1.294 1.00 0.00 C ATOM 877 O GLY A 58 -1.806 -1.327 -1.516 1.00 0.00 O ATOM 0 H GLY A 58 -1.245 2.368 0.313 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.676 -0.366 0.772 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.896 0.856 0.470 1.00 0.00 H new ATOM 881 N LEU A 59 -2.953 0.464 -2.234 1.00 0.00 N ATOM 882 CA LEU A 59 -3.253 -0.130 -3.584 1.00 0.00 C ATOM 883 C LEU A 59 -2.060 -0.693 -4.446 1.00 0.00 C ATOM 884 O LEU A 59 -2.289 -1.470 -5.377 1.00 0.00 O ATOM 885 CB LEU A 59 -4.159 0.872 -4.352 1.00 0.00 C ATOM 886 CG LEU A 59 -5.046 0.299 -5.492 1.00 0.00 C ATOM 887 CD1 LEU A 59 -6.118 -0.690 -4.982 1.00 0.00 C ATOM 888 CD2 LEU A 59 -5.741 1.442 -6.252 1.00 0.00 C ATOM 0 H LEU A 59 -3.313 1.409 -2.103 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.767 -1.070 -3.385 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.812 1.359 -3.628 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.521 1.646 -4.778 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.377 -0.250 -6.155 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.706 -1.056 -5.824 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.632 -1.530 -4.487 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.774 -0.183 -4.275 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.359 1.027 -7.048 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.368 2.008 -5.563 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.989 2.102 -6.684 1.00 0.00 H new ATOM 900 N VAL A 60 -0.807 -0.377 -4.080 1.00 0.00 N ATOM 901 CA VAL A 60 0.415 -1.061 -4.605 1.00 0.00 C ATOM 902 C VAL A 60 0.844 -2.346 -3.811 1.00 0.00 C ATOM 903 O VAL A 60 1.360 -3.269 -4.452 1.00 0.00 O ATOM 904 CB VAL A 60 1.565 -0.016 -4.853 1.00 0.00 C ATOM 905 CG1 VAL A 60 2.921 -0.622 -5.291 1.00 0.00 C ATOM 906 CG2 VAL A 60 1.199 1.053 -5.915 1.00 0.00 C ATOM 0 H VAL A 60 -0.598 0.362 -3.409 1.00 0.00 H new ATOM 0 HA VAL A 60 0.155 -1.482 -5.576 1.00 0.00 H new ATOM 0 HB VAL A 60 1.676 0.431 -3.865 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.647 0.178 -5.436 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.281 -1.303 -4.520 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.791 -1.168 -6.225 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.034 1.743 -6.039 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.988 0.564 -6.866 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.318 1.605 -5.587 1.00 0.00 H new ATOM 916 N ASP A 61 0.577 -2.493 -2.490 1.00 0.00 N ATOM 917 CA ASP A 61 0.406 -3.834 -1.852 1.00 0.00 C ATOM 918 C ASP A 61 -0.598 -4.751 -2.626 1.00 0.00 C ATOM 919 O ASP A 61 -0.199 -5.852 -3.005 1.00 0.00 O ATOM 920 CB ASP A 61 0.002 -3.719 -0.354 1.00 0.00 C ATOM 921 CG ASP A 61 1.044 -3.093 0.581 1.00 0.00 C ATOM 922 OD1 ASP A 61 2.233 -3.402 0.586 1.00 0.00 O ATOM 923 OD2 ASP A 61 0.492 -2.167 1.423 1.00 0.00 O ATOM 0 H ASP A 61 0.475 -1.710 -1.845 1.00 0.00 H new ATOM 0 HA ASP A 61 1.384 -4.312 -1.903 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.913 -3.131 -0.290 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.234 -4.717 0.015 1.00 0.00 H new ATOM 929 N ALA A 62 -1.830 -4.279 -2.948 1.00 0.00 N ATOM 930 CA ALA A 62 -2.737 -4.967 -3.913 1.00 0.00 C ATOM 931 C ALA A 62 -2.108 -5.456 -5.246 1.00 0.00 C ATOM 932 O ALA A 62 -1.986 -6.669 -5.409 1.00 0.00 O ATOM 933 CB ALA A 62 -4.038 -4.169 -4.122 1.00 0.00 C ATOM 0 H ALA A 62 -2.222 -3.423 -2.554 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.976 -5.909 -3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.678 -4.696 -4.830 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.558 -4.066 -3.170 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.799 -3.180 -4.514 1.00 0.00 H new ATOM 939 N ILE A 63 -1.666 -4.566 -6.149 1.00 0.00 N ATOM 940 CA ILE A 63 -1.113 -4.963 -7.486 1.00 0.00 C ATOM 941 C ILE A 63 0.117 -5.945 -7.410 1.00 0.00 C ATOM 942 O ILE A 63 0.061 -7.029 -8.006 1.00 0.00 O ATOM 943 CB ILE A 63 -0.890 -3.686 -8.383 1.00 0.00 C ATOM 944 CG1 ILE A 63 -2.159 -2.807 -8.628 1.00 0.00 C ATOM 945 CG2 ILE A 63 -0.221 -3.982 -9.750 1.00 0.00 C ATOM 946 CD1 ILE A 63 -3.359 -3.475 -9.325 1.00 0.00 C ATOM 0 H ILE A 63 -1.675 -3.558 -5.991 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.863 -5.575 -7.988 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.203 -3.108 -7.765 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.498 -2.428 -7.664 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.861 -1.944 -9.223 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.103 -3.052 -10.306 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.757 -4.433 -9.586 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.847 -4.669 -10.320 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.167 -2.752 -9.430 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.057 -3.828 -10.311 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.703 -4.319 -8.727 1.00 0.00 H new ATOM 958 N ALA A 64 1.194 -5.581 -6.681 1.00 0.00 N ATOM 959 CA ALA A 64 2.419 -6.406 -6.570 1.00 0.00 C ATOM 960 C ALA A 64 2.235 -7.798 -5.894 1.00 0.00 C ATOM 961 O ALA A 64 2.591 -8.815 -6.497 1.00 0.00 O ATOM 962 CB ALA A 64 3.507 -5.553 -5.887 1.00 0.00 C ATOM 0 H ALA A 64 1.240 -4.709 -6.154 1.00 0.00 H new ATOM 0 HA ALA A 64 2.721 -6.680 -7.581 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.422 -6.138 -5.793 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.704 -4.665 -6.488 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.165 -5.252 -4.897 1.00 0.00 H new ATOM 968 N MET A 65 1.656 -7.854 -4.678 1.00 0.00 N ATOM 969 CA MET A 65 1.390 -9.116 -3.958 1.00 0.00 C ATOM 970 C MET A 65 0.293 -10.036 -4.586 1.00 0.00 C ATOM 971 O MET A 65 0.472 -11.257 -4.544 1.00 0.00 O ATOM 972 CB MET A 65 1.057 -8.776 -2.486 1.00 0.00 C ATOM 973 CG MET A 65 2.147 -8.097 -1.634 1.00 0.00 C ATOM 974 SD MET A 65 3.614 -9.143 -1.547 1.00 0.00 S ATOM 975 CE MET A 65 4.612 -8.192 -0.388 1.00 0.00 C ATOM 0 H MET A 65 1.359 -7.023 -4.166 1.00 0.00 H new ATOM 0 HA MET A 65 2.298 -9.714 -4.035 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.180 -8.129 -2.483 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.771 -9.702 -1.986 1.00 0.00 H new ATOM 0 HG2 MET A 65 2.406 -7.130 -2.066 1.00 0.00 H new ATOM 0 HG3 MET A 65 1.768 -7.906 -0.630 1.00 0.00 H new ATOM 0 HE1 MET A 65 5.561 -8.702 -0.221 1.00 0.00 H new ATOM 0 HE2 MET A 65 4.800 -7.200 -0.799 1.00 0.00 H new ATOM 0 HE3 MET A 65 4.080 -8.098 0.559 1.00 0.00 H new ATOM 985 N ILE A 66 -0.808 -9.500 -5.171 1.00 0.00 N ATOM 986 CA ILE A 66 -1.823 -10.325 -5.894 1.00 0.00 C ATOM 987 C ILE A 66 -1.247 -11.005 -7.182 1.00 0.00 C ATOM 988 O ILE A 66 -1.378 -12.221 -7.305 1.00 0.00 O ATOM 989 CB ILE A 66 -3.195 -9.567 -6.051 1.00 0.00 C ATOM 990 CG1 ILE A 66 -4.459 -10.459 -5.882 1.00 0.00 C ATOM 991 CG2 ILE A 66 -3.315 -8.649 -7.293 1.00 0.00 C ATOM 992 CD1 ILE A 66 -4.748 -11.512 -6.966 1.00 0.00 C ATOM 0 H ILE A 66 -1.020 -8.502 -5.159 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.074 -11.181 -5.268 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.168 -8.898 -5.191 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.377 -10.977 -4.926 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.326 -9.801 -5.815 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.298 -8.177 -7.303 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.544 -7.880 -7.253 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.188 -9.243 -8.198 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.659 -12.055 -6.712 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.877 -11.017 -7.929 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.914 -12.211 -7.026 1.00 0.00 H new ATOM 1004 N ALA A 67 -0.580 -10.277 -8.106 1.00 0.00 N ATOM 1005 CA ALA A 67 0.005 -10.888 -9.331 1.00 0.00 C ATOM 1006 C ALA A 67 1.231 -11.830 -9.130 1.00 0.00 C ATOM 1007 O ALA A 67 1.249 -12.912 -9.726 1.00 0.00 O ATOM 1008 CB ALA A 67 0.298 -9.732 -10.303 1.00 0.00 C ATOM 0 H ALA A 67 -0.432 -9.271 -8.032 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.728 -11.588 -9.733 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.730 -10.129 -11.221 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.629 -9.208 -10.535 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.001 -9.038 -9.842 1.00 0.00 H new ATOM 1014 N VAL A 68 2.221 -11.471 -8.285 1.00 0.00 N ATOM 1015 CA VAL A 68 3.341 -12.392 -7.902 1.00 0.00 C ATOM 1016 C VAL A 68 2.841 -13.646 -7.095 1.00 0.00 C ATOM 1017 O VAL A 68 3.211 -14.773 -7.441 1.00 0.00 O ATOM 1018 CB VAL A 68 4.501 -11.597 -7.195 1.00 0.00 C ATOM 1019 CG1 VAL A 68 5.684 -12.487 -6.737 1.00 0.00 C ATOM 1020 CG2 VAL A 68 5.106 -10.470 -8.069 1.00 0.00 C ATOM 0 H VAL A 68 2.278 -10.551 -7.848 1.00 0.00 H new ATOM 0 HA VAL A 68 3.765 -12.808 -8.816 1.00 0.00 H new ATOM 0 HB VAL A 68 3.997 -11.172 -6.327 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.442 -11.867 -6.259 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.325 -13.232 -6.027 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.118 -12.989 -7.602 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.899 -9.967 -7.516 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.517 -10.899 -8.983 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.328 -9.750 -8.324 1.00 0.00 H new ATOM 1030 N GLY A 69 2.017 -13.457 -6.046 1.00 0.00 N ATOM 1031 CA GLY A 69 1.482 -14.573 -5.229 1.00 0.00 C ATOM 1032 C GLY A 69 0.392 -15.490 -5.821 1.00 0.00 C ATOM 1033 O GLY A 69 0.470 -16.701 -5.602 1.00 0.00 O ATOM 0 H GLY A 69 1.703 -12.536 -5.740 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.324 -15.205 -4.948 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.084 -14.144 -4.309 1.00 0.00 H new ATOM 1037 N LEU A 70 -0.592 -14.959 -6.572 1.00 0.00 N ATOM 1038 CA LEU A 70 -1.506 -15.796 -7.411 1.00 0.00 C ATOM 1039 C LEU A 70 -0.765 -16.546 -8.564 1.00 0.00 C ATOM 1040 O LEU A 70 -0.988 -17.746 -8.728 1.00 0.00 O ATOM 1041 CB LEU A 70 -2.702 -14.925 -7.893 1.00 0.00 C ATOM 1042 CG LEU A 70 -3.974 -15.585 -8.501 1.00 0.00 C ATOM 1043 CD1 LEU A 70 -3.797 -16.050 -9.958 1.00 0.00 C ATOM 1044 CD2 LEU A 70 -4.563 -16.711 -7.631 1.00 0.00 C ATOM 0 H LEU A 70 -0.783 -13.958 -6.623 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.905 -16.603 -6.796 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.027 -14.328 -7.041 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.313 -14.232 -8.639 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.704 -14.776 -8.513 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.725 -16.499 -10.312 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.546 -15.195 -10.585 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.995 -16.786 -10.010 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.447 -17.123 -8.118 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.820 -17.498 -7.502 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.840 -16.310 -6.656 1.00 0.00 H new ATOM 1056 N GLY A 71 0.161 -15.878 -9.287 1.00 0.00 N ATOM 1057 CA GLY A 71 1.196 -16.562 -10.109 1.00 0.00 C ATOM 1058 C GLY A 71 1.923 -17.789 -9.497 1.00 0.00 C ATOM 1059 O GLY A 71 1.885 -18.863 -10.101 1.00 0.00 O ATOM 0 H GLY A 71 0.216 -14.860 -9.321 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.725 -16.883 -11.038 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.953 -15.824 -10.374 1.00 0.00 H new ATOM 1063 N LEU A 72 2.537 -17.655 -8.301 1.00 0.00 N ATOM 1064 CA LEU A 72 3.201 -18.791 -7.610 1.00 0.00 C ATOM 1065 C LEU A 72 2.261 -19.922 -7.081 1.00 0.00 C ATOM 1066 O LEU A 72 2.516 -21.099 -7.347 1.00 0.00 O ATOM 1067 CB LEU A 72 4.173 -18.297 -6.502 1.00 0.00 C ATOM 1068 CG LEU A 72 5.289 -19.322 -6.157 1.00 0.00 C ATOM 1069 CD1 LEU A 72 6.298 -19.575 -7.300 1.00 0.00 C ATOM 1070 CD2 LEU A 72 6.075 -18.870 -4.922 1.00 0.00 C ATOM 0 H LEU A 72 2.589 -16.773 -7.791 1.00 0.00 H new ATOM 0 HA LEU A 72 3.772 -19.275 -8.402 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.634 -17.363 -6.824 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.602 -18.076 -5.600 1.00 0.00 H new ATOM 0 HG LEU A 72 4.760 -20.257 -5.973 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.042 -20.302 -6.974 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.770 -19.961 -8.172 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.794 -18.640 -7.561 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.851 -19.601 -4.697 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.535 -17.901 -5.118 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.399 -18.786 -4.071 1.00 0.00 H new ATOM 1082 N TYR A 73 1.180 -19.561 -6.362 1.00 0.00 N ATOM 1083 CA TYR A 73 0.026 -20.457 -6.057 1.00 0.00 C ATOM 1084 C TYR A 73 -0.478 -21.393 -7.205 1.00 0.00 C ATOM 1085 O TYR A 73 -0.675 -22.594 -6.999 1.00 0.00 O ATOM 1086 CB TYR A 73 -1.110 -19.557 -5.495 1.00 0.00 C ATOM 1087 CG TYR A 73 -2.336 -20.288 -4.918 1.00 0.00 C ATOM 1088 CD1 TYR A 73 -2.244 -21.016 -3.727 1.00 0.00 C ATOM 1089 CD2 TYR A 73 -3.566 -20.207 -5.577 1.00 0.00 C ATOM 1090 CE1 TYR A 73 -3.370 -21.625 -3.182 1.00 0.00 C ATOM 1091 CE2 TYR A 73 -4.696 -20.796 -5.016 1.00 0.00 C ATOM 1092 CZ TYR A 73 -4.599 -21.509 -3.824 1.00 0.00 C ATOM 1093 OH TYR A 73 -5.715 -22.088 -3.283 1.00 0.00 O ATOM 0 H TYR A 73 1.074 -18.627 -5.967 1.00 0.00 H new ATOM 0 HA TYR A 73 0.378 -21.189 -5.331 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.690 -18.924 -4.714 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -1.450 -18.896 -6.293 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.291 -21.106 -3.227 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.640 -19.688 -6.521 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.290 -22.186 -2.263 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.653 -20.699 -5.508 1.00 0.00 H new ATOM 0 HH TYR A 73 -6.488 -21.909 -3.858 1.00 0.00 H new ATOM 1103 N VAL A 74 -0.666 -20.814 -8.396 1.00 0.00 N ATOM 1104 CA VAL A 74 -1.098 -21.553 -9.615 1.00 0.00 C ATOM 1105 C VAL A 74 0.071 -22.385 -10.256 1.00 0.00 C ATOM 1106 O VAL A 74 -0.169 -23.527 -10.648 1.00 0.00 O ATOM 1107 CB VAL A 74 -1.868 -20.586 -10.583 1.00 0.00 C ATOM 1108 CG1 VAL A 74 -2.324 -21.253 -11.898 1.00 0.00 C ATOM 1109 CG2 VAL A 74 -3.149 -19.976 -9.953 1.00 0.00 C ATOM 0 H VAL A 74 -0.526 -19.816 -8.555 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.818 -22.325 -9.342 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.125 -19.814 -10.784 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.848 -20.522 -12.514 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.453 -21.625 -12.438 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.993 -22.083 -11.672 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.632 -19.318 -10.675 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.835 -20.777 -9.676 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.881 -19.404 -9.064 1.00 0.00 H new ATOM 1119 N MET A 75 1.317 -21.867 -10.333 1.00 0.00 N ATOM 1120 CA MET A 75 2.516 -22.651 -10.755 1.00 0.00 C ATOM 1121 C MET A 75 2.808 -23.952 -9.929 1.00 0.00 C ATOM 1122 O MET A 75 3.009 -25.006 -10.540 1.00 0.00 O ATOM 1123 CB MET A 75 3.714 -21.659 -10.810 1.00 0.00 C ATOM 1124 CG MET A 75 5.009 -22.185 -11.458 1.00 0.00 C ATOM 1125 SD MET A 75 5.875 -23.311 -10.342 1.00 0.00 S ATOM 1126 CE MET A 75 7.262 -23.795 -11.384 1.00 0.00 C ATOM 0 H MET A 75 1.527 -20.895 -10.106 1.00 0.00 H new ATOM 0 HA MET A 75 2.321 -23.075 -11.740 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.396 -20.770 -11.354 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.944 -21.345 -9.792 1.00 0.00 H new ATOM 0 HG2 MET A 75 4.772 -22.700 -12.389 1.00 0.00 H new ATOM 0 HG3 MET A 75 5.659 -21.348 -11.713 1.00 0.00 H new ATOM 0 HE1 MET A 75 7.899 -24.493 -10.841 1.00 0.00 H new ATOM 0 HE2 MET A 75 6.888 -24.274 -12.289 1.00 0.00 H new ATOM 0 HE3 MET A 75 7.840 -22.911 -11.654 1.00 0.00 H new ATOM 1136 N PHE A 76 2.836 -23.897 -8.579 1.00 0.00 N ATOM 1137 CA PHE A 76 3.110 -25.092 -7.726 1.00 0.00 C ATOM 1138 C PHE A 76 1.917 -26.092 -7.597 1.00 0.00 C ATOM 1139 O PHE A 76 2.091 -27.279 -7.888 1.00 0.00 O ATOM 1140 CB PHE A 76 3.713 -24.619 -6.368 1.00 0.00 C ATOM 1141 CG PHE A 76 4.240 -25.729 -5.433 1.00 0.00 C ATOM 1142 CD1 PHE A 76 5.339 -26.508 -5.816 1.00 0.00 C ATOM 1143 CD2 PHE A 76 3.626 -25.979 -4.198 1.00 0.00 C ATOM 1144 CE1 PHE A 76 5.803 -27.529 -4.989 1.00 0.00 C ATOM 1145 CE2 PHE A 76 4.095 -26.996 -3.373 1.00 0.00 C ATOM 1146 CZ PHE A 76 5.183 -27.770 -3.767 1.00 0.00 C ATOM 0 H PHE A 76 2.673 -23.041 -8.049 1.00 0.00 H new ATOM 0 HA PHE A 76 3.854 -25.707 -8.233 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.532 -23.930 -6.578 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.950 -24.054 -5.833 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.830 -26.316 -6.759 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.784 -25.379 -3.885 1.00 0.00 H new ATOM 0 HE1 PHE A 76 6.644 -28.133 -5.297 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.614 -27.186 -2.425 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.546 -28.558 -3.124 1.00 0.00 H new ATOM 1156 N ALA A 77 0.737 -25.630 -7.151 1.00 0.00 N ATOM 1157 CA ALA A 77 -0.452 -26.506 -6.948 1.00 0.00 C ATOM 1158 C ALA A 77 -1.190 -26.962 -8.245 1.00 0.00 C ATOM 1159 O ALA A 77 -1.428 -28.163 -8.402 1.00 0.00 O ATOM 1160 CB ALA A 77 -1.405 -25.830 -5.948 1.00 0.00 C ATOM 0 H ALA A 77 0.571 -24.650 -6.920 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.075 -27.445 -6.543 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.278 -26.463 -5.793 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.891 -25.682 -4.998 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.722 -24.865 -6.343 1.00 0.00 H new ATOM 1166 N VAL A 78 -1.556 -26.037 -9.158 1.00 0.00 N ATOM 1167 CA VAL A 78 -2.247 -26.380 -10.440 1.00 0.00 C ATOM 1168 C VAL A 78 -1.246 -26.982 -11.485 1.00 0.00 C ATOM 1169 O VAL A 78 -1.436 -28.118 -11.927 1.00 0.00 O ATOM 1170 CB VAL A 78 -3.125 -25.190 -10.976 1.00 0.00 C ATOM 1171 CG1 VAL A 78 -3.918 -25.547 -12.256 1.00 0.00 C ATOM 1172 CG2 VAL A 78 -4.143 -24.633 -9.949 1.00 0.00 C ATOM 0 H VAL A 78 -1.387 -25.038 -9.038 1.00 0.00 H new ATOM 0 HA VAL A 78 -2.964 -27.176 -10.241 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.380 -24.424 -11.191 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.503 -24.684 -12.574 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.223 -25.827 -13.048 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.587 -26.382 -12.049 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.706 -23.816 -10.401 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.830 -25.425 -9.651 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.611 -24.265 -9.072 1.00 0.00 H new ATOM 1182 N ALA A 79 -0.203 -26.219 -11.870 1.00 0.00 N ATOM 1183 CA ALA A 79 0.908 -26.667 -12.752 1.00 0.00 C ATOM 1184 C ALA A 79 0.459 -26.990 -14.187 1.00 0.00 C ATOM 1185 O ALA A 79 0.823 -26.346 -15.172 1.00 0.00 O ATOM 1186 CB ALA A 79 1.746 -27.801 -12.127 1.00 0.00 C ATOM 0 H ALA A 79 -0.102 -25.249 -11.572 1.00 0.00 H new ATOM 0 HA ALA A 79 1.570 -25.806 -12.839 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.542 -28.087 -12.815 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.183 -27.456 -11.190 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.106 -28.662 -11.934 1.00 0.00 H new TER 1192 ALA A 79