USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 616 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= -0.108 (180deg=-0.122) USER MOD Single : A 3 ASN : amide:sc= -2.54 K(o=-2.5,f=-7!) USER MOD Single : A 5 ASN :FLIP amide:sc= -0.41 F(o=-1.6,f=-0.41) USER MOD Single : A 6 MET CE :methyl -162:sc= -4.17 (180deg=-5.25!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 160:sc= -0.176 (180deg=-0.791) USER MOD Single : A 16 MET CE :methyl -111:sc= -2.24! (180deg=-5.43!) USER MOD Single : A 17 MET CE :methyl 158:sc= -6.11! (180deg=-8.13!) USER MOD Single : A 34 LYS NZ :NH3+ -107:sc= -2.42! (180deg=-5.18!) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 113:sc= 0.778 USER MOD Single : A 52 GLN : amide:sc= -3.54! C(o=-3.5!,f=-4.6!) 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 -162:sc= -5.85! (180deg=-6.58!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.926 -29.273 -0.049 1.00 0.00 N ATOM 2 CA MET A 1 -5.096 -27.843 0.320 1.00 0.00 C ATOM 3 C MET A 1 -4.176 -26.936 -0.495 1.00 0.00 C ATOM 4 O MET A 1 -4.279 -25.712 -0.425 1.00 0.00 O ATOM 5 CB MET A 1 -4.804 -27.690 1.816 1.00 0.00 C ATOM 6 CG MET A 1 -4.925 -26.262 2.321 1.00 0.00 C ATOM 7 SD MET A 1 -6.574 -25.575 2.076 1.00 0.00 S ATOM 8 CE MET A 1 -6.358 -23.937 2.766 1.00 0.00 C ATOM 0 H1 MET A 1 -5.602 -29.853 0.488 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.100 -29.392 -1.067 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.956 -29.576 0.174 1.00 0.00 H new ATOM 0 HA MET A 1 -6.120 -27.540 0.100 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.491 -28.324 2.377 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.797 -28.053 2.019 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.678 -26.234 3.382 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.195 -25.636 1.807 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.294 -23.384 2.689 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.070 -24.019 3.814 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.579 -23.410 2.215 1.00 0.00 H new ATOM 20 N GLU A 2 -3.284 -27.540 -1.269 1.00 0.00 N ATOM 21 CA GLU A 2 -2.351 -26.785 -2.095 1.00 0.00 C ATOM 22 C GLU A 2 -3.092 -25.935 -3.119 1.00 0.00 C ATOM 23 O GLU A 2 -2.879 -24.725 -3.210 1.00 0.00 O ATOM 24 CB GLU A 2 -1.384 -27.735 -2.809 1.00 0.00 C ATOM 25 CG GLU A 2 -0.352 -27.023 -3.669 1.00 0.00 C ATOM 26 CD GLU A 2 0.560 -27.991 -4.395 1.00 0.00 C ATOM 27 OE1 GLU A 2 0.049 -28.797 -5.202 1.00 0.00 O ATOM 28 OE2 GLU A 2 1.786 -27.947 -4.157 1.00 0.00 O ATOM 0 H GLU A 2 -3.187 -28.553 -1.342 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.784 -26.122 -1.442 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.868 -28.341 -2.064 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.957 -28.419 -3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.862 -26.393 -4.397 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.248 -26.364 -3.041 1.00 0.00 H new ATOM 35 N ASN A 3 -3.957 -26.574 -3.897 1.00 0.00 N ATOM 36 CA ASN A 3 -4.719 -25.869 -4.918 1.00 0.00 C ATOM 37 C ASN A 3 -5.685 -24.876 -4.285 1.00 0.00 C ATOM 38 O ASN A 3 -5.952 -23.817 -4.850 1.00 0.00 O ATOM 39 CB ASN A 3 -5.479 -26.861 -5.803 1.00 0.00 C ATOM 40 CG ASN A 3 -6.445 -27.723 -5.014 1.00 0.00 C ATOM 41 OD1 ASN A 3 -7.376 -27.216 -4.386 1.00 0.00 O ATOM 42 ND2 ASN A 3 -6.231 -29.033 -5.043 1.00 0.00 N ATOM 0 H ASN A 3 -4.147 -27.575 -3.840 1.00 0.00 H new ATOM 0 HA ASN A 3 -4.017 -25.314 -5.541 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -6.028 -26.313 -6.568 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -4.765 -27.502 -6.321 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -6.850 -29.662 -4.532 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -5.448 -29.410 -5.576 1.00 0.00 H new ATOM 49 N LEU A 4 -6.196 -25.215 -3.107 1.00 0.00 N ATOM 50 CA LEU A 4 -7.123 -24.336 -2.404 1.00 0.00 C ATOM 51 C LEU A 4 -6.377 -23.190 -1.739 1.00 0.00 C ATOM 52 O LEU A 4 -6.903 -22.089 -1.613 1.00 0.00 O ATOM 53 CB LEU A 4 -7.927 -25.114 -1.360 1.00 0.00 C ATOM 54 CG LEU A 4 -8.827 -26.217 -1.918 1.00 0.00 C ATOM 55 CD1 LEU A 4 -9.617 -26.878 -0.800 1.00 0.00 C ATOM 56 CD2 LEU A 4 -9.765 -25.654 -2.976 1.00 0.00 C ATOM 0 H LEU A 4 -5.986 -26.087 -2.621 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.815 -23.924 -3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.232 -25.560 -0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.545 -24.410 -0.803 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.196 -26.973 -2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.252 -27.660 -1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.928 -27.316 -0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.238 -26.133 -0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.398 -26.452 -3.363 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.389 -24.878 -2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.180 -25.228 -3.791 1.00 0.00 H new ATOM 68 N ASN A 5 -5.143 -23.445 -1.327 1.00 0.00 N ATOM 69 CA ASN A 5 -4.342 -22.412 -0.688 1.00 0.00 C ATOM 70 C ASN A 5 -3.791 -21.450 -1.732 1.00 0.00 C ATOM 71 O ASN A 5 -3.581 -20.270 -1.452 1.00 0.00 O ATOM 72 CB ASN A 5 -3.199 -23.038 0.119 1.00 0.00 C ATOM 73 CG ASN A 5 -2.403 -22.029 0.940 1.00 0.00 C ATOM 74 OD1 ASN A 5 -2.867 -20.781 1.005 1.00 0.00 O flip ATOM 75 ND2 ASN A 5 -1.379 -22.376 1.527 1.00 0.00 N flip ATOM 0 H ASN A 5 -4.679 -24.348 -1.422 1.00 0.00 H new ATOM 0 HA ASN A 5 -4.980 -21.854 -0.003 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -3.610 -23.794 0.788 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -2.522 -23.551 -0.564 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -1.052 -23.340 1.456 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -0.857 -21.700 2.085 1.00 0.00 H new ATOM 82 N MET A 6 -3.570 -21.955 -2.942 1.00 0.00 N ATOM 83 CA MET A 6 -3.061 -21.130 -4.026 1.00 0.00 C ATOM 84 C MET A 6 -4.189 -20.312 -4.653 1.00 0.00 C ATOM 85 O MET A 6 -4.064 -19.095 -4.828 1.00 0.00 O ATOM 86 CB MET A 6 -2.377 -21.997 -5.083 1.00 0.00 C ATOM 87 CG MET A 6 -1.102 -22.662 -4.592 1.00 0.00 C ATOM 88 SD MET A 6 -0.301 -23.647 -5.872 1.00 0.00 S ATOM 89 CE MET A 6 -1.609 -24.801 -6.278 1.00 0.00 C ATOM 0 H MET A 6 -3.736 -22.930 -3.194 1.00 0.00 H new ATOM 0 HA MET A 6 -2.323 -20.440 -3.616 1.00 0.00 H new ATOM 0 HB2 MET A 6 -3.073 -22.767 -5.416 1.00 0.00 H new ATOM 0 HB3 MET A 6 -2.144 -21.381 -5.951 1.00 0.00 H new ATOM 0 HG2 MET A 6 -0.410 -21.897 -4.240 1.00 0.00 H new ATOM 0 HG3 MET A 6 -1.334 -23.300 -3.739 1.00 0.00 H new ATOM 0 HE1 MET A 6 -1.188 -25.658 -6.803 1.00 0.00 H new ATOM 0 HE2 MET A 6 -2.094 -25.138 -5.362 1.00 0.00 H new ATOM 0 HE3 MET A 6 -2.343 -24.309 -6.917 1.00 0.00 H new ATOM 99 N ASP A 7 -5.297 -20.978 -4.981 1.00 0.00 N ATOM 100 CA ASP A 7 -6.432 -20.293 -5.574 1.00 0.00 C ATOM 101 C ASP A 7 -7.071 -19.351 -4.557 1.00 0.00 C ATOM 102 O ASP A 7 -7.453 -18.232 -4.901 1.00 0.00 O ATOM 103 CB ASP A 7 -7.464 -21.290 -6.114 1.00 0.00 C ATOM 104 CG ASP A 7 -8.066 -22.168 -5.037 1.00 0.00 C ATOM 105 OD1 ASP A 7 -7.642 -22.052 -3.873 1.00 0.00 O ATOM 106 OD2 ASP A 7 -8.958 -22.978 -5.361 1.00 0.00 O ATOM 0 H ASP A 7 -5.427 -21.981 -4.846 1.00 0.00 H new ATOM 0 HA ASP A 7 -6.070 -19.704 -6.417 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -8.262 -20.742 -6.615 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.991 -21.921 -6.866 1.00 0.00 H new ATOM 111 N LEU A 8 -7.172 -19.790 -3.298 1.00 0.00 N ATOM 112 CA LEU A 8 -7.748 -18.940 -2.262 1.00 0.00 C ATOM 113 C LEU A 8 -6.866 -17.716 -2.066 1.00 0.00 C ATOM 114 O LEU A 8 -7.350 -16.639 -1.719 1.00 0.00 O ATOM 115 CB LEU A 8 -7.906 -19.704 -0.946 1.00 0.00 C ATOM 116 CG LEU A 8 -8.633 -18.955 0.180 1.00 0.00 C ATOM 117 CD1 LEU A 8 -7.791 -17.801 0.704 1.00 0.00 C ATOM 118 CD2 LEU A 8 -9.986 -18.452 -0.303 1.00 0.00 C ATOM 0 H LEU A 8 -6.868 -20.710 -2.980 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.741 -18.624 -2.580 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.445 -20.630 -1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.915 -19.984 -0.589 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.793 -19.654 1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.331 -17.289 1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.849 -18.186 1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.589 -17.100 -0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -10.488 -17.923 0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.843 -17.774 -1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.597 -19.298 -0.618 1.00 0.00 H new ATOM 130 N LEU A 9 -5.565 -17.887 -2.308 1.00 0.00 N ATOM 131 CA LEU A 9 -4.616 -16.791 -2.175 1.00 0.00 C ATOM 132 C LEU A 9 -4.871 -15.754 -3.259 1.00 0.00 C ATOM 133 O LEU A 9 -5.200 -14.607 -2.960 1.00 0.00 O ATOM 134 CB LEU A 9 -3.174 -17.304 -2.266 1.00 0.00 C ATOM 135 CG LEU A 9 -2.079 -16.253 -2.031 1.00 0.00 C ATOM 136 CD1 LEU A 9 -2.134 -15.151 -3.079 1.00 0.00 C ATOM 137 CD2 LEU A 9 -2.195 -15.665 -0.631 1.00 0.00 C ATOM 0 H LEU A 9 -5.150 -18.773 -2.596 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.753 -16.331 -1.196 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.046 -18.105 -1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.025 -17.743 -3.252 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.114 -16.751 -2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.346 -14.424 -2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.992 -15.583 -4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.104 -14.656 -3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.411 -14.922 -0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.170 -15.192 -0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.087 -16.459 0.107 1.00 0.00 H new ATOM 149 N TYR A 10 -4.731 -16.160 -4.524 1.00 0.00 N ATOM 150 CA TYR A 10 -4.955 -15.233 -5.633 1.00 0.00 C ATOM 151 C TYR A 10 -6.292 -14.534 -5.455 1.00 0.00 C ATOM 152 O TYR A 10 -6.391 -13.310 -5.542 1.00 0.00 O ATOM 153 CB TYR A 10 -4.960 -15.950 -6.987 1.00 0.00 C ATOM 154 CG TYR A 10 -3.864 -16.974 -7.180 1.00 0.00 C ATOM 155 CD1 TYR A 10 -2.624 -16.831 -6.575 1.00 0.00 C ATOM 156 CD2 TYR A 10 -4.072 -18.075 -7.999 1.00 0.00 C ATOM 157 CE1 TYR A 10 -1.621 -17.762 -6.779 1.00 0.00 C ATOM 158 CE2 TYR A 10 -3.078 -19.009 -8.206 1.00 0.00 C ATOM 159 CZ TYR A 10 -1.853 -18.848 -7.596 1.00 0.00 C ATOM 160 OH TYR A 10 -0.858 -19.774 -7.802 1.00 0.00 O ATOM 0 H TYR A 10 -4.469 -17.106 -4.801 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.136 -14.514 -5.624 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.923 -16.444 -7.114 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.879 -15.202 -7.776 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.439 -15.981 -5.935 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.029 -18.203 -8.483 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.661 -17.639 -6.300 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -3.259 -19.862 -8.843 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.184 -20.477 -8.402 1.00 0.00 H new ATOM 170 N MET A 11 -7.319 -15.336 -5.202 1.00 0.00 N ATOM 171 CA MET A 11 -8.664 -14.827 -5.007 1.00 0.00 C ATOM 172 C MET A 11 -8.715 -13.922 -3.786 1.00 0.00 C ATOM 173 O MET A 11 -9.317 -12.850 -3.819 1.00 0.00 O ATOM 174 CB MET A 11 -9.639 -15.992 -4.841 1.00 0.00 C ATOM 175 CG MET A 11 -11.100 -15.578 -4.890 1.00 0.00 C ATOM 176 SD MET A 11 -11.548 -14.801 -6.454 1.00 0.00 S ATOM 177 CE MET A 11 -11.122 -16.102 -7.610 1.00 0.00 C ATOM 0 H MET A 11 -7.241 -16.350 -5.127 1.00 0.00 H new ATOM 0 HA MET A 11 -8.951 -14.244 -5.882 1.00 0.00 H new ATOM 0 HB2 MET A 11 -9.452 -16.725 -5.625 1.00 0.00 H new ATOM 0 HB3 MET A 11 -9.442 -16.486 -3.889 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.728 -16.455 -4.731 1.00 0.00 H new ATOM 0 HG3 MET A 11 -11.306 -14.886 -4.073 1.00 0.00 H new ATOM 0 HE1 MET A 11 -11.648 -15.940 -8.551 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.047 -16.092 -7.789 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.411 -17.067 -7.194 1.00 0.00 H new ATOM 187 N ALA A 12 -8.058 -14.352 -2.714 1.00 0.00 N ATOM 188 CA ALA A 12 -8.011 -13.571 -1.485 1.00 0.00 C ATOM 189 C ALA A 12 -7.480 -12.181 -1.778 1.00 0.00 C ATOM 190 O ALA A 12 -8.008 -11.191 -1.290 1.00 0.00 O ATOM 191 CB ALA A 12 -7.142 -14.260 -0.443 1.00 0.00 C ATOM 0 H ALA A 12 -7.551 -15.236 -2.672 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.022 -13.489 -1.085 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.120 -13.660 0.467 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.554 -15.244 -0.219 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.129 -14.370 -0.829 1.00 0.00 H new ATOM 197 N ALA A 13 -6.441 -12.114 -2.597 1.00 0.00 N ATOM 198 CA ALA A 13 -5.855 -10.838 -2.972 1.00 0.00 C ATOM 199 C ALA A 13 -6.915 -9.943 -3.598 1.00 0.00 C ATOM 200 O ALA A 13 -7.012 -8.761 -3.276 1.00 0.00 O ATOM 201 CB ALA A 13 -4.703 -11.055 -3.939 1.00 0.00 C ATOM 0 H ALA A 13 -5.988 -12.927 -3.013 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.468 -10.348 -2.078 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.272 -10.092 -4.213 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.940 -11.672 -3.464 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.069 -11.557 -4.835 1.00 0.00 H new ATOM 207 N ALA A 14 -7.719 -10.521 -4.485 1.00 0.00 N ATOM 208 CA ALA A 14 -8.785 -9.776 -5.142 1.00 0.00 C ATOM 209 C ALA A 14 -9.756 -9.227 -4.106 1.00 0.00 C ATOM 210 O ALA A 14 -10.010 -8.024 -4.051 1.00 0.00 O ATOM 211 CB ALA A 14 -9.513 -10.658 -6.145 1.00 0.00 C ATOM 0 H ALA A 14 -7.652 -11.500 -4.764 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.344 -8.939 -5.683 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.306 -10.085 -6.626 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.809 -11.008 -6.900 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.947 -11.514 -5.629 1.00 0.00 H new ATOM 217 N VAL A 15 -10.281 -10.119 -3.268 1.00 0.00 N ATOM 218 CA VAL A 15 -11.209 -9.723 -2.216 1.00 0.00 C ATOM 219 C VAL A 15 -10.552 -8.699 -1.296 1.00 0.00 C ATOM 220 O VAL A 15 -10.993 -7.559 -1.203 1.00 0.00 O ATOM 221 CB VAL A 15 -11.665 -10.939 -1.382 1.00 0.00 C ATOM 222 CG1 VAL A 15 -12.682 -10.519 -0.329 1.00 0.00 C ATOM 223 CG2 VAL A 15 -12.235 -12.020 -2.287 1.00 0.00 C ATOM 0 H VAL A 15 -10.079 -11.118 -3.299 1.00 0.00 H new ATOM 0 HA VAL A 15 -12.084 -9.283 -2.694 1.00 0.00 H new ATOM 0 HB VAL A 15 -10.797 -11.349 -0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -12.990 -11.391 0.248 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -12.232 -9.783 0.338 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -13.552 -10.081 -0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -12.552 -12.870 -1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -13.091 -11.623 -2.833 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -11.471 -12.342 -2.995 1.00 0.00 H new ATOM 233 N MET A 16 -9.484 -9.123 -0.626 1.00 0.00 N ATOM 234 CA MET A 16 -8.742 -8.261 0.282 1.00 0.00 C ATOM 235 C MET A 16 -8.439 -6.906 -0.348 1.00 0.00 C ATOM 236 O MET A 16 -8.645 -5.861 0.268 1.00 0.00 O ATOM 237 CB MET A 16 -7.443 -8.956 0.691 1.00 0.00 C ATOM 238 CG MET A 16 -7.385 -9.310 2.164 1.00 0.00 C ATOM 239 SD MET A 16 -8.673 -10.472 2.656 1.00 0.00 S ATOM 240 CE MET A 16 -8.204 -11.924 1.717 1.00 0.00 C ATOM 0 H MET A 16 -9.112 -10.070 -0.698 1.00 0.00 H new ATOM 0 HA MET A 16 -9.358 -8.080 1.163 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.326 -9.866 0.102 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.601 -8.308 0.448 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.409 -9.739 2.392 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.479 -8.399 2.756 1.00 0.00 H new ATOM 0 HE1 MET A 16 -8.942 -12.106 0.936 1.00 0.00 H new ATOM 0 HE2 MET A 16 -7.226 -11.763 1.263 1.00 0.00 H new ATOM 0 HE3 MET A 16 -8.158 -12.787 2.381 1.00 0.00 H new ATOM 250 N MET A 17 -7.952 -6.933 -1.574 1.00 0.00 N ATOM 251 CA MET A 17 -7.623 -5.706 -2.289 1.00 0.00 C ATOM 252 C MET A 17 -8.864 -4.850 -2.500 1.00 0.00 C ATOM 253 O MET A 17 -8.831 -3.641 -2.291 1.00 0.00 O ATOM 254 CB MET A 17 -6.974 -6.021 -3.640 1.00 0.00 C ATOM 255 CG MET A 17 -5.543 -6.531 -3.541 1.00 0.00 C ATOM 256 SD MET A 17 -4.318 -5.204 -3.565 1.00 0.00 S ATOM 257 CE MET A 17 -4.795 -4.251 -2.126 1.00 0.00 C ATOM 0 H MET A 17 -7.774 -7.789 -2.099 1.00 0.00 H new ATOM 0 HA MET A 17 -6.913 -5.148 -1.679 1.00 0.00 H new ATOM 0 HB2 MET A 17 -7.579 -6.767 -4.156 1.00 0.00 H new ATOM 0 HB3 MET A 17 -6.985 -5.121 -4.255 1.00 0.00 H new ATOM 0 HG2 MET A 17 -5.431 -7.105 -2.621 1.00 0.00 H new ATOM 0 HG3 MET A 17 -5.348 -7.213 -4.369 1.00 0.00 H new ATOM 0 HE1 MET A 17 -3.946 -3.659 -1.784 1.00 0.00 H new ATOM 0 HE2 MET A 17 -5.619 -3.587 -2.386 1.00 0.00 H new ATOM 0 HE3 MET A 17 -5.111 -4.926 -1.331 1.00 0.00 H new ATOM 267 N GLY A 18 -9.954 -5.484 -2.919 1.00 0.00 N ATOM 268 CA GLY A 18 -11.189 -4.759 -3.164 1.00 0.00 C ATOM 269 C GLY A 18 -11.800 -4.186 -1.902 1.00 0.00 C ATOM 270 O GLY A 18 -12.149 -3.009 -1.858 1.00 0.00 O ATOM 0 H GLY A 18 -10.005 -6.488 -3.094 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.995 -3.949 -3.867 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.908 -5.427 -3.638 1.00 0.00 H new ATOM 274 N LEU A 19 -11.940 -5.018 -0.877 1.00 0.00 N ATOM 275 CA LEU A 19 -12.526 -4.577 0.381 1.00 0.00 C ATOM 276 C LEU A 19 -11.691 -3.454 0.982 1.00 0.00 C ATOM 277 O LEU A 19 -12.229 -2.459 1.474 1.00 0.00 O ATOM 278 CB LEU A 19 -12.643 -5.758 1.351 1.00 0.00 C ATOM 279 CG LEU A 19 -11.333 -6.252 1.965 1.00 0.00 C ATOM 280 CD1 LEU A 19 -11.000 -5.475 3.233 1.00 0.00 C ATOM 281 CD2 LEU A 19 -11.419 -7.742 2.261 1.00 0.00 C ATOM 0 H LEU A 19 -11.657 -5.998 -0.893 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.528 -4.192 0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.316 -5.473 2.160 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.111 -6.590 0.825 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.532 -6.083 1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -10.064 -5.845 3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.898 -4.416 2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -11.800 -5.607 3.961 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.480 -8.081 2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.233 -7.927 2.962 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.606 -8.287 1.336 1.00 0.00 H new ATOM 293 N ALA A 20 -10.370 -3.602 0.914 1.00 0.00 N ATOM 294 CA ALA A 20 -9.471 -2.583 1.429 1.00 0.00 C ATOM 295 C ALA A 20 -9.527 -1.352 0.537 1.00 0.00 C ATOM 296 O ALA A 20 -9.389 -0.224 1.006 1.00 0.00 O ATOM 297 CB ALA A 20 -8.047 -3.113 1.528 1.00 0.00 C ATOM 0 H ALA A 20 -9.904 -4.414 0.509 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.792 -2.308 2.434 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.394 -2.331 1.916 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.024 -3.971 2.199 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.702 -3.416 0.539 1.00 0.00 H new ATOM 303 N ALA A 21 -9.756 -1.583 -0.755 1.00 0.00 N ATOM 304 CA ALA A 21 -9.853 -0.490 -1.716 1.00 0.00 C ATOM 305 C ALA A 21 -11.089 0.344 -1.439 1.00 0.00 C ATOM 306 O ALA A 21 -11.041 1.571 -1.442 1.00 0.00 O ATOM 307 CB ALA A 21 -9.881 -1.014 -3.144 1.00 0.00 C ATOM 0 H ALA A 21 -9.877 -2.513 -1.157 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.969 0.137 -1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.954 -0.176 -3.838 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.967 -1.573 -3.344 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.743 -1.669 -3.274 1.00 0.00 H new ATOM 313 N ILE A 22 -12.190 -0.341 -1.185 1.00 0.00 N ATOM 314 CA ILE A 22 -13.450 0.323 -0.889 1.00 0.00 C ATOM 315 C ILE A 22 -13.337 1.126 0.399 1.00 0.00 C ATOM 316 O ILE A 22 -13.549 2.336 0.403 1.00 0.00 O ATOM 317 CB ILE A 22 -14.608 -0.687 -0.771 1.00 0.00 C ATOM 318 CG1 ILE A 22 -14.796 -1.430 -2.093 1.00 0.00 C ATOM 319 CG2 ILE A 22 -15.897 0.016 -0.369 1.00 0.00 C ATOM 320 CD1 ILE A 22 -15.845 -2.518 -2.031 1.00 0.00 C ATOM 0 H ILE A 22 -12.238 -1.360 -1.178 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.668 0.996 -1.718 1.00 0.00 H new ATOM 0 HB ILE A 22 -14.358 -1.410 0.005 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -15.072 -0.714 -2.867 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.845 -1.870 -2.391 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -16.701 -0.715 -0.291 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.759 0.507 0.594 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -16.155 0.761 -1.122 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -15.925 -3.003 -3.004 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -15.560 -3.256 -1.281 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -16.807 -2.081 -1.763 1.00 0.00 H new ATOM 332 N GLY A 23 -12.985 0.453 1.492 1.00 0.00 N ATOM 333 CA GLY A 23 -12.840 1.141 2.763 1.00 0.00 C ATOM 334 C GLY A 23 -11.815 2.254 2.685 1.00 0.00 C ATOM 335 O GLY A 23 -12.090 3.400 3.058 1.00 0.00 O ATOM 0 H GLY A 23 -12.799 -0.549 1.520 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.803 1.554 3.065 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.544 0.427 3.531 1.00 0.00 H new ATOM 339 N ALA A 24 -10.630 1.915 2.185 1.00 0.00 N ATOM 340 CA ALA A 24 -9.557 2.885 2.042 1.00 0.00 C ATOM 341 C ALA A 24 -9.989 4.028 1.135 1.00 0.00 C ATOM 342 O ALA A 24 -9.708 5.189 1.411 1.00 0.00 O ATOM 343 CB ALA A 24 -8.303 2.219 1.494 1.00 0.00 C ATOM 0 H ALA A 24 -10.392 0.974 1.873 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.329 3.292 3.027 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.511 2.961 1.394 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.980 1.433 2.177 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.519 1.785 0.518 1.00 0.00 H new ATOM 349 N ALA A 25 -10.684 3.694 0.054 1.00 0.00 N ATOM 350 CA ALA A 25 -11.157 4.707 -0.878 1.00 0.00 C ATOM 351 C ALA A 25 -12.124 5.662 -0.187 1.00 0.00 C ATOM 352 O ALA A 25 -12.003 6.880 -0.306 1.00 0.00 O ATOM 353 CB ALA A 25 -11.823 4.057 -2.081 1.00 0.00 C ATOM 0 H ALA A 25 -10.930 2.736 -0.197 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.297 5.279 -1.226 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.170 4.830 -2.767 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.105 3.415 -2.592 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.672 3.459 -1.748 1.00 0.00 H new ATOM 359 N ILE A 26 -13.074 5.103 0.551 1.00 0.00 N ATOM 360 CA ILE A 26 -14.047 5.913 1.266 1.00 0.00 C ATOM 361 C ILE A 26 -13.361 6.899 2.211 1.00 0.00 C ATOM 362 O ILE A 26 -13.529 8.109 2.080 1.00 0.00 O ATOM 363 CB ILE A 26 -15.040 5.047 2.053 1.00 0.00 C ATOM 364 CG1 ILE A 26 -15.869 4.214 1.081 1.00 0.00 C ATOM 365 CG2 ILE A 26 -15.946 5.910 2.923 1.00 0.00 C ATOM 366 CD1 ILE A 26 -16.608 5.040 0.049 1.00 0.00 C ATOM 0 H ILE A 26 -13.190 4.097 0.669 1.00 0.00 H new ATOM 0 HA ILE A 26 -14.601 6.474 0.513 1.00 0.00 H new ATOM 0 HB ILE A 26 -14.481 4.382 2.712 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -15.213 3.510 0.568 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -16.591 3.624 1.646 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -16.640 5.272 3.470 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -15.340 6.477 3.630 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -16.507 6.599 2.292 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -17.175 4.380 -0.607 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -17.290 5.726 0.552 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -15.891 5.610 -0.542 1.00 0.00 H new ATOM 378 N GLY A 27 -12.589 6.380 3.168 1.00 0.00 N ATOM 379 CA GLY A 27 -11.909 7.253 4.118 1.00 0.00 C ATOM 380 C GLY A 27 -10.827 8.101 3.480 1.00 0.00 C ATOM 381 O GLY A 27 -10.749 9.302 3.736 1.00 0.00 O ATOM 0 H GLY A 27 -12.423 5.383 3.302 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.642 7.906 4.591 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.467 6.646 4.908 1.00 0.00 H new ATOM 385 N ILE A 28 -9.986 7.492 2.644 1.00 0.00 N ATOM 386 CA ILE A 28 -8.921 8.242 1.984 1.00 0.00 C ATOM 387 C ILE A 28 -9.533 9.459 1.326 1.00 0.00 C ATOM 388 O ILE A 28 -9.070 10.581 1.489 1.00 0.00 O ATOM 389 CB ILE A 28 -8.168 7.392 0.934 1.00 0.00 C ATOM 390 CG1 ILE A 28 -6.814 8.024 0.613 1.00 0.00 C ATOM 391 CG2 ILE A 28 -8.979 7.208 -0.341 1.00 0.00 C ATOM 392 CD1 ILE A 28 -5.919 8.169 1.820 1.00 0.00 C ATOM 0 H ILE A 28 -10.020 6.499 2.411 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.187 8.535 2.735 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.011 6.404 1.367 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.306 7.416 -0.136 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.976 9.007 0.170 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.411 6.605 -1.050 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.917 6.705 -0.106 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -9.190 8.182 -0.781 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.975 8.624 1.520 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.408 8.801 2.561 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.727 7.186 2.251 1.00 0.00 H new ATOM 404 N GLY A 29 -10.624 9.212 0.633 1.00 0.00 N ATOM 405 CA GLY A 29 -11.354 10.287 -0.004 1.00 0.00 C ATOM 406 C GLY A 29 -11.874 11.268 1.028 1.00 0.00 C ATOM 407 O GLY A 29 -11.846 12.479 0.820 1.00 0.00 O ATOM 0 H GLY A 29 -11.023 8.283 0.497 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.705 10.805 -0.711 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.187 9.878 -0.576 1.00 0.00 H new ATOM 411 N ILE A 30 -12.338 10.733 2.159 1.00 0.00 N ATOM 412 CA ILE A 30 -12.853 11.564 3.244 1.00 0.00 C ATOM 413 C ILE A 30 -11.792 12.557 3.729 1.00 0.00 C ATOM 414 O ILE A 30 -11.917 13.762 3.514 1.00 0.00 O ATOM 415 CB ILE A 30 -13.350 10.697 4.431 1.00 0.00 C ATOM 416 CG1 ILE A 30 -14.602 9.923 4.021 1.00 0.00 C ATOM 417 CG2 ILE A 30 -13.640 11.561 5.654 1.00 0.00 C ATOM 418 CD1 ILE A 30 -15.770 10.810 3.651 1.00 0.00 C ATOM 0 H ILE A 30 -12.367 9.731 2.345 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.700 12.124 2.848 1.00 0.00 H new ATOM 0 HB ILE A 30 -12.563 9.991 4.695 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -14.361 9.282 3.173 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -14.899 9.269 4.841 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -13.987 10.929 6.472 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -12.731 12.080 5.957 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -14.410 12.292 5.409 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -16.622 10.191 3.371 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -16.038 11.433 4.504 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -15.492 11.446 2.811 1.00 0.00 H new ATOM 430 N LEU A 31 -10.751 12.043 4.383 1.00 0.00 N ATOM 431 CA LEU A 31 -9.672 12.885 4.904 1.00 0.00 C ATOM 432 C LEU A 31 -8.742 13.336 3.782 1.00 0.00 C ATOM 433 O LEU A 31 -8.354 14.502 3.715 1.00 0.00 O ATOM 434 CB LEU A 31 -8.880 12.113 5.968 1.00 0.00 C ATOM 435 CG LEU A 31 -7.817 12.915 6.733 1.00 0.00 C ATOM 436 CD1 LEU A 31 -6.708 13.385 5.804 1.00 0.00 C ATOM 437 CD2 LEU A 31 -8.453 14.098 7.445 1.00 0.00 C ATOM 0 H LEU A 31 -10.631 11.047 4.565 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.114 13.773 5.356 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.586 11.702 6.690 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.390 11.268 5.485 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.372 12.257 7.479 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.971 13.950 6.374 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.228 12.521 5.345 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.130 14.021 5.026 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.685 14.655 7.982 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.929 14.750 6.713 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.201 13.738 8.151 1.00 0.00 H new ATOM 449 N GLY A 32 -8.382 12.407 2.906 1.00 0.00 N ATOM 450 CA GLY A 32 -7.500 12.741 1.803 1.00 0.00 C ATOM 451 C GLY A 32 -8.118 13.781 0.896 1.00 0.00 C ATOM 452 O GLY A 32 -7.431 14.679 0.409 1.00 0.00 O ATOM 0 H GLY A 32 -8.683 11.433 2.938 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.553 13.113 2.193 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.277 11.842 1.229 1.00 0.00 H new ATOM 456 N GLY A 33 -9.425 13.668 0.681 1.00 0.00 N ATOM 457 CA GLY A 33 -10.124 14.621 -0.159 1.00 0.00 C ATOM 458 C GLY A 33 -10.118 16.008 0.448 1.00 0.00 C ATOM 459 O GLY A 33 -9.733 16.974 -0.205 1.00 0.00 O ATOM 0 H GLY A 33 -10.012 12.932 1.074 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.656 14.652 -1.143 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.153 14.292 -0.306 1.00 0.00 H new ATOM 463 N LYS A 34 -10.536 16.103 1.708 1.00 0.00 N ATOM 464 CA LYS A 34 -10.563 17.382 2.409 1.00 0.00 C ATOM 465 C LYS A 34 -9.166 17.997 2.436 1.00 0.00 C ATOM 466 O LYS A 34 -8.969 19.165 2.075 1.00 0.00 O ATOM 467 CB LYS A 34 -11.092 17.192 3.838 1.00 0.00 C ATOM 468 CG LYS A 34 -10.316 16.180 4.660 1.00 0.00 C ATOM 469 CD LYS A 34 -10.928 15.988 6.044 1.00 0.00 C ATOM 470 CE LYS A 34 -10.806 17.240 6.900 1.00 0.00 C ATOM 471 NZ LYS A 34 -11.760 18.307 6.486 1.00 0.00 N ATOM 0 H LYS A 34 -10.860 15.311 2.263 1.00 0.00 H new ATOM 0 HA LYS A 34 -11.231 18.060 1.878 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.071 18.153 4.352 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.135 16.880 3.789 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.295 15.225 4.136 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.282 16.510 4.762 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.980 15.720 5.941 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.435 15.156 6.546 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.985 16.982 7.944 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.787 17.623 6.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.241 19.069 6.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.468 17.907 5.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.237 18.691 7.326 1.00 0.00 H new ATOM 485 N PHE A 35 -8.197 17.191 2.850 1.00 0.00 N ATOM 486 CA PHE A 35 -6.808 17.625 2.923 1.00 0.00 C ATOM 487 C PHE A 35 -6.317 18.012 1.537 1.00 0.00 C ATOM 488 O PHE A 35 -5.623 19.013 1.362 1.00 0.00 O ATOM 489 CB PHE A 35 -5.948 16.495 3.484 1.00 0.00 C ATOM 490 CG PHE A 35 -4.711 16.973 4.185 1.00 0.00 C ATOM 491 CD1 PHE A 35 -4.807 17.761 5.321 1.00 0.00 C ATOM 492 CD2 PHE A 35 -3.456 16.649 3.705 1.00 0.00 C ATOM 493 CE1 PHE A 35 -3.673 18.217 5.962 1.00 0.00 C ATOM 494 CE2 PHE A 35 -2.318 17.099 4.344 1.00 0.00 C ATOM 495 CZ PHE A 35 -2.426 17.885 5.473 1.00 0.00 C ATOM 0 H PHE A 35 -8.349 16.226 3.142 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.734 18.491 3.580 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -6.545 15.906 4.180 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -5.660 15.830 2.670 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -5.781 18.021 5.709 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -3.365 16.037 2.820 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.761 18.833 6.845 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -1.343 16.836 3.960 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.537 18.240 5.973 1.00 0.00 H new ATOM 505 N LEU A 36 -6.700 17.205 0.556 1.00 0.00 N ATOM 506 CA LEU A 36 -6.321 17.447 -0.831 1.00 0.00 C ATOM 507 C LEU A 36 -6.925 18.757 -1.327 1.00 0.00 C ATOM 508 O LEU A 36 -6.266 19.533 -2.016 1.00 0.00 O ATOM 509 CB LEU A 36 -6.786 16.290 -1.719 1.00 0.00 C ATOM 510 CG LEU A 36 -6.432 16.422 -3.203 1.00 0.00 C ATOM 511 CD1 LEU A 36 -4.923 16.398 -3.394 1.00 0.00 C ATOM 512 CD2 LEU A 36 -7.094 15.315 -4.010 1.00 0.00 C ATOM 0 H LEU A 36 -7.275 16.374 0.696 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.235 17.518 -0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.352 15.365 -1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.868 16.195 -1.627 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.808 17.379 -3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.689 16.493 -4.454 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.474 17.227 -2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.523 15.457 -3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.831 15.425 -5.062 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.749 14.346 -3.649 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.176 15.380 -3.898 1.00 0.00 H new ATOM 524 N GLU A 37 -8.181 19.001 -0.960 1.00 0.00 N ATOM 525 CA GLU A 37 -8.870 20.223 -1.361 1.00 0.00 C ATOM 526 C GLU A 37 -8.127 21.449 -0.850 1.00 0.00 C ATOM 527 O GLU A 37 -7.789 22.341 -1.625 1.00 0.00 O ATOM 528 CB GLU A 37 -10.313 20.230 -0.847 1.00 0.00 C ATOM 529 CG GLU A 37 -11.221 19.248 -1.572 1.00 0.00 C ATOM 530 CD GLU A 37 -12.626 19.220 -0.998 1.00 0.00 C ATOM 531 OE1 GLU A 37 -13.290 20.278 -1.000 1.00 0.00 O ATOM 532 OE2 GLU A 37 -13.062 18.138 -0.551 1.00 0.00 O ATOM 0 H GLU A 37 -8.741 18.370 -0.387 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.891 20.255 -2.450 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.312 19.994 0.217 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.722 21.235 -0.950 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.269 19.515 -2.628 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.789 18.249 -1.515 1.00 0.00 H new ATOM 539 N GLY A 38 -7.862 21.486 0.453 1.00 0.00 N ATOM 540 CA GLY A 38 -7.145 22.618 1.019 1.00 0.00 C ATOM 541 C GLY A 38 -5.758 22.769 0.419 1.00 0.00 C ATOM 542 O GLY A 38 -5.436 23.789 -0.206 1.00 0.00 O ATOM 0 H GLY A 38 -8.127 20.762 1.121 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.716 23.531 0.848 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.062 22.492 2.098 1.00 0.00 H new ATOM 546 N ALA A 39 -4.929 21.747 0.605 1.00 0.00 N ATOM 547 CA ALA A 39 -3.574 21.761 0.075 1.00 0.00 C ATOM 548 C ALA A 39 -3.580 22.142 -1.399 1.00 0.00 C ATOM 549 O ALA A 39 -2.799 22.983 -1.839 1.00 0.00 O ATOM 550 CB ALA A 39 -2.916 20.404 0.275 1.00 0.00 C ATOM 0 H ALA A 39 -5.173 20.900 1.119 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.997 22.509 0.618 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.903 20.428 -0.126 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.880 20.171 1.339 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.494 19.639 -0.245 1.00 0.00 H new ATOM 556 N ALA A 40 -4.478 21.531 -2.160 1.00 0.00 N ATOM 557 CA ALA A 40 -4.581 21.825 -3.577 1.00 0.00 C ATOM 558 C ALA A 40 -5.195 23.200 -3.796 1.00 0.00 C ATOM 559 O ALA A 40 -4.931 23.852 -4.807 1.00 0.00 O ATOM 560 CB ALA A 40 -5.382 20.748 -4.285 1.00 0.00 C ATOM 0 H ALA A 40 -5.140 20.834 -1.820 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.578 21.835 -4.004 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.450 20.984 -5.347 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.888 19.785 -4.158 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.384 20.701 -3.859 1.00 0.00 H new ATOM 566 N ARG A 41 -5.989 23.654 -2.829 1.00 0.00 N ATOM 567 CA ARG A 41 -6.595 24.973 -2.917 1.00 0.00 C ATOM 568 C ARG A 41 -5.507 26.028 -2.808 1.00 0.00 C ATOM 569 O ARG A 41 -5.653 27.147 -3.297 1.00 0.00 O ATOM 570 CB ARG A 41 -7.636 25.179 -1.816 1.00 0.00 C ATOM 571 CG ARG A 41 -8.260 26.564 -1.828 1.00 0.00 C ATOM 572 CD ARG A 41 -9.184 26.768 -0.641 1.00 0.00 C ATOM 573 NE ARG A 41 -8.489 26.581 0.630 1.00 0.00 N ATOM 574 CZ ARG A 41 -9.081 26.675 1.819 1.00 0.00 C ATOM 575 NH1 ARG A 41 -10.378 26.947 1.905 1.00 0.00 N ATOM 576 NH2 ARG A 41 -8.375 26.496 2.927 1.00 0.00 N ATOM 0 H ARG A 41 -6.224 23.132 -1.985 1.00 0.00 H new ATOM 0 HA ARG A 41 -7.104 25.061 -3.877 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.423 24.433 -1.926 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.168 25.008 -0.847 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.474 27.319 -1.812 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -8.818 26.705 -2.754 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.607 27.772 -0.679 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.017 26.068 -0.705 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.492 26.366 0.605 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.927 27.085 1.057 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.825 27.017 2.819 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.378 26.286 2.868 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.828 26.568 3.838 1.00 0.00 H new ATOM 590 N GLN A 42 -4.411 25.644 -2.161 1.00 0.00 N ATOM 591 CA GLN A 42 -3.268 26.514 -1.982 1.00 0.00 C ATOM 592 C GLN A 42 -2.213 26.227 -3.059 1.00 0.00 C ATOM 593 O GLN A 42 -1.405 25.309 -2.914 1.00 0.00 O ATOM 594 CB GLN A 42 -2.669 26.295 -0.596 1.00 0.00 C ATOM 595 CG GLN A 42 -3.584 26.721 0.539 1.00 0.00 C ATOM 596 CD GLN A 42 -2.953 26.526 1.903 1.00 0.00 C ATOM 597 OE1 GLN A 42 -1.930 27.134 2.220 1.00 0.00 O ATOM 598 NE2 GLN A 42 -3.561 25.672 2.719 1.00 0.00 N ATOM 0 H GLN A 42 -4.296 24.718 -1.748 1.00 0.00 H new ATOM 0 HA GLN A 42 -3.591 27.551 -2.074 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.426 25.239 -0.478 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.733 26.848 -0.523 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.849 27.771 0.412 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.511 26.150 0.487 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.407 25.190 2.415 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.182 25.498 3.650 1.00 0.00 H new ATOM 607 N PRO A 43 -2.222 27.001 -4.160 1.00 0.00 N ATOM 608 CA PRO A 43 -1.282 26.832 -5.277 1.00 0.00 C ATOM 609 C PRO A 43 0.144 26.471 -4.853 1.00 0.00 C ATOM 610 O PRO A 43 0.894 25.881 -5.629 1.00 0.00 O ATOM 611 CB PRO A 43 -1.295 28.210 -5.932 1.00 0.00 C ATOM 612 CG PRO A 43 -2.664 28.746 -5.684 1.00 0.00 C ATOM 613 CD PRO A 43 -3.170 28.102 -4.416 1.00 0.00 C ATOM 0 HA PRO A 43 -1.582 26.004 -5.920 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -0.533 28.859 -5.500 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -1.086 28.141 -7.000 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.640 29.831 -5.582 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.324 28.519 -6.521 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.187 28.812 -3.589 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -4.187 27.730 -4.538 1.00 0.00 H new ATOM 621 N ASP A 44 0.530 26.847 -3.639 1.00 0.00 N ATOM 622 CA ASP A 44 1.881 26.574 -3.151 1.00 0.00 C ATOM 623 C ASP A 44 2.047 25.136 -2.656 1.00 0.00 C ATOM 624 O ASP A 44 3.133 24.754 -2.221 1.00 0.00 O ATOM 625 CB ASP A 44 2.240 27.550 -2.028 1.00 0.00 C ATOM 626 CG ASP A 44 2.231 28.994 -2.490 1.00 0.00 C ATOM 627 OD1 ASP A 44 3.006 29.329 -3.409 1.00 0.00 O ATOM 628 OD2 ASP A 44 1.447 29.792 -1.930 1.00 0.00 O ATOM 0 H ASP A 44 -0.068 27.339 -2.976 1.00 0.00 H new ATOM 0 HA ASP A 44 2.558 26.709 -3.994 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.533 27.430 -1.207 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.227 27.303 -1.638 1.00 0.00 H new ATOM 633 N LEU A 45 0.977 24.343 -2.698 1.00 0.00 N ATOM 634 CA LEU A 45 1.045 22.963 -2.225 1.00 0.00 C ATOM 635 C LEU A 45 0.685 21.941 -3.308 1.00 0.00 C ATOM 636 O LEU A 45 0.440 20.774 -3.000 1.00 0.00 O ATOM 637 CB LEU A 45 0.124 22.781 -1.021 1.00 0.00 C ATOM 638 CG LEU A 45 0.517 23.567 0.231 1.00 0.00 C ATOM 639 CD1 LEU A 45 0.384 25.064 -0.012 1.00 0.00 C ATOM 640 CD2 LEU A 45 -0.333 23.134 1.420 1.00 0.00 C ATOM 0 H LEU A 45 0.063 24.629 -3.050 1.00 0.00 H new ATOM 0 HA LEU A 45 2.081 22.777 -1.941 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.886 23.072 -1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.090 21.721 -0.768 1.00 0.00 H new ATOM 0 HG LEU A 45 1.561 23.352 0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.668 25.606 0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.037 25.359 -0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.649 25.301 -0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.041 23.703 2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.385 23.318 1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.182 22.071 1.607 1.00 0.00 H new ATOM 652 N ILE A 46 0.658 22.355 -4.574 1.00 0.00 N ATOM 653 CA ILE A 46 0.332 21.410 -5.643 1.00 0.00 C ATOM 654 C ILE A 46 1.223 20.175 -5.548 1.00 0.00 C ATOM 655 O ILE A 46 0.743 19.053 -5.656 1.00 0.00 O ATOM 656 CB ILE A 46 0.491 22.007 -7.049 1.00 0.00 C ATOM 657 CG1 ILE A 46 -0.190 23.371 -7.142 1.00 0.00 C ATOM 658 CG2 ILE A 46 -0.085 21.057 -8.089 1.00 0.00 C ATOM 659 CD1 ILE A 46 -1.673 23.325 -6.846 1.00 0.00 C ATOM 0 H ILE A 46 0.851 23.309 -4.880 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.717 21.151 -5.501 1.00 0.00 H new ATOM 0 HB ILE A 46 1.554 22.144 -7.245 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.291 24.057 -6.445 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.039 23.776 -8.143 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.033 21.490 -9.082 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.443 20.104 -8.043 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.144 20.895 -7.887 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.092 24.328 -6.930 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.166 22.665 -7.559 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.831 22.950 -5.835 1.00 0.00 H new ATOM 671 N PRO A 47 2.542 20.356 -5.337 1.00 0.00 N ATOM 672 CA PRO A 47 3.464 19.230 -5.217 1.00 0.00 C ATOM 673 C PRO A 47 3.231 18.481 -3.916 1.00 0.00 C ATOM 674 O PRO A 47 3.581 17.306 -3.784 1.00 0.00 O ATOM 675 CB PRO A 47 4.859 19.873 -5.241 1.00 0.00 C ATOM 676 CG PRO A 47 4.637 21.302 -5.620 1.00 0.00 C ATOM 677 CD PRO A 47 3.239 21.639 -5.189 1.00 0.00 C ATOM 0 HA PRO A 47 3.334 18.498 -6.014 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.343 19.796 -4.267 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.509 19.373 -5.960 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.362 21.952 -5.130 1.00 0.00 H new ATOM 0 HG3 PRO A 47 4.758 21.443 -6.694 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.208 22.002 -4.162 1.00 0.00 H new ATOM 0 HD3 PRO A 47 2.798 22.415 -5.814 1.00 0.00 H new ATOM 685 N LEU A 48 2.608 19.167 -2.966 1.00 0.00 N ATOM 686 CA LEU A 48 2.278 18.567 -1.690 1.00 0.00 C ATOM 687 C LEU A 48 1.225 17.504 -1.941 1.00 0.00 C ATOM 688 O LEU A 48 1.239 16.420 -1.359 1.00 0.00 O ATOM 689 CB LEU A 48 1.719 19.627 -0.743 1.00 0.00 C ATOM 690 CG LEU A 48 1.492 19.152 0.686 1.00 0.00 C ATOM 691 CD1 LEU A 48 2.816 18.896 1.386 1.00 0.00 C ATOM 692 CD2 LEU A 48 0.654 20.162 1.456 1.00 0.00 C ATOM 0 H LEU A 48 2.323 20.142 -3.061 1.00 0.00 H new ATOM 0 HA LEU A 48 3.167 18.131 -1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.404 20.475 -0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.773 19.990 -1.145 1.00 0.00 H new ATOM 0 HG LEU A 48 0.944 18.210 0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.629 18.558 2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.371 18.130 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.399 19.817 1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.501 19.807 2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.171 21.121 1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.312 20.283 0.965 1.00 0.00 H new ATOM 704 N LEU A 49 0.323 17.852 -2.850 1.00 0.00 N ATOM 705 CA LEU A 49 -0.765 16.990 -3.265 1.00 0.00 C ATOM 706 C LEU A 49 -0.285 15.576 -3.563 1.00 0.00 C ATOM 707 O LEU A 49 -0.665 14.622 -2.885 1.00 0.00 O ATOM 708 CB LEU A 49 -1.416 17.600 -4.507 1.00 0.00 C ATOM 709 CG LEU A 49 -1.986 19.003 -4.300 1.00 0.00 C ATOM 710 CD1 LEU A 49 -2.802 19.438 -5.507 1.00 0.00 C ATOM 711 CD2 LEU A 49 -2.829 19.059 -3.036 1.00 0.00 C ATOM 0 H LEU A 49 0.331 18.755 -3.324 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.487 16.916 -2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.678 17.636 -5.308 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.218 16.942 -4.842 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.151 19.695 -4.186 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.198 20.439 -5.337 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.167 19.444 -6.393 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.628 18.742 -5.658 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.225 20.066 -2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.655 18.352 -3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.212 18.799 -2.176 1.00 0.00 H new ATOM 723 N ARG A 50 0.547 15.451 -4.582 1.00 0.00 N ATOM 724 CA ARG A 50 1.075 14.166 -4.990 1.00 0.00 C ATOM 725 C ARG A 50 2.003 13.596 -3.929 1.00 0.00 C ATOM 726 O ARG A 50 1.991 12.392 -3.656 1.00 0.00 O ATOM 727 CB ARG A 50 1.825 14.321 -6.310 1.00 0.00 C ATOM 728 CG ARG A 50 0.939 14.747 -7.470 1.00 0.00 C ATOM 729 CD ARG A 50 1.730 14.843 -8.767 1.00 0.00 C ATOM 730 NE ARG A 50 0.886 15.234 -9.895 1.00 0.00 N ATOM 731 CZ ARG A 50 -0.104 14.487 -10.379 1.00 0.00 C ATOM 732 NH1 ARG A 50 -0.351 13.284 -9.872 1.00 0.00 N ATOM 733 NH2 ARG A 50 -0.844 14.940 -11.381 1.00 0.00 N ATOM 0 H ARG A 50 0.873 16.236 -5.146 1.00 0.00 H new ATOM 0 HA ARG A 50 0.243 13.473 -5.119 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.619 15.056 -6.182 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.304 13.374 -6.559 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.126 14.032 -7.590 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.484 15.712 -7.247 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.535 15.568 -8.648 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.196 13.881 -8.979 1.00 0.00 H new ATOM 0 HE ARG A 50 1.067 16.135 -10.338 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.220 12.926 -9.106 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.111 12.718 -10.249 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.654 15.859 -11.780 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.603 14.369 -11.753 1.00 0.00 H new ATOM 747 N THR A 51 2.823 14.465 -3.349 1.00 0.00 N ATOM 748 CA THR A 51 3.775 14.046 -2.335 1.00 0.00 C ATOM 749 C THR A 51 3.083 13.395 -1.150 1.00 0.00 C ATOM 750 O THR A 51 3.539 12.372 -0.640 1.00 0.00 O ATOM 751 CB THR A 51 4.611 15.234 -1.866 1.00 0.00 C ATOM 752 OG1 THR A 51 5.233 15.864 -2.968 1.00 0.00 O ATOM 753 CG2 THR A 51 5.693 14.850 -0.878 1.00 0.00 C ATOM 0 H THR A 51 2.846 15.462 -3.565 1.00 0.00 H new ATOM 0 HA THR A 51 4.431 13.303 -2.788 1.00 0.00 H new ATOM 0 HB THR A 51 3.914 15.907 -1.367 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.852 16.759 -3.091 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.250 15.740 -0.585 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.237 14.400 0.004 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.371 14.133 -1.341 1.00 0.00 H new ATOM 761 N GLN A 52 1.978 13.982 -0.711 1.00 0.00 N ATOM 762 CA GLN A 52 1.241 13.433 0.418 1.00 0.00 C ATOM 763 C GLN A 52 0.288 12.351 -0.050 1.00 0.00 C ATOM 764 O GLN A 52 0.065 11.360 0.645 1.00 0.00 O ATOM 765 CB GLN A 52 0.476 14.526 1.151 1.00 0.00 C ATOM 766 CG GLN A 52 1.374 15.628 1.670 1.00 0.00 C ATOM 767 CD GLN A 52 0.617 16.644 2.501 1.00 0.00 C ATOM 768 OE1 GLN A 52 -0.385 17.205 2.057 1.00 0.00 O ATOM 769 NE2 GLN A 52 1.096 16.894 3.714 1.00 0.00 N ATOM 0 H GLN A 52 1.576 14.828 -1.114 1.00 0.00 H new ATOM 0 HA GLN A 52 1.959 12.995 1.111 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.266 14.956 0.479 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.068 14.084 1.986 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.171 15.191 2.272 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.850 16.132 0.829 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.929 16.407 4.044 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.631 17.573 4.316 1.00 0.00 H new ATOM 778 N PHE A 53 -0.264 12.536 -1.241 1.00 0.00 N ATOM 779 CA PHE A 53 -1.188 11.565 -1.802 1.00 0.00 C ATOM 780 C PHE A 53 -0.566 10.176 -1.765 1.00 0.00 C ATOM 781 O PHE A 53 -1.180 9.223 -1.282 1.00 0.00 O ATOM 782 CB PHE A 53 -1.550 11.927 -3.247 1.00 0.00 C ATOM 783 CG PHE A 53 -2.582 11.025 -3.877 1.00 0.00 C ATOM 784 CD1 PHE A 53 -3.327 10.138 -3.109 1.00 0.00 C ATOM 785 CD2 PHE A 53 -2.816 11.074 -5.241 1.00 0.00 C ATOM 786 CE1 PHE A 53 -4.277 9.322 -3.693 1.00 0.00 C ATOM 787 CE2 PHE A 53 -3.763 10.261 -5.829 1.00 0.00 C ATOM 788 CZ PHE A 53 -4.495 9.384 -5.054 1.00 0.00 C ATOM 0 H PHE A 53 -0.088 13.347 -1.834 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.098 11.574 -1.203 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.919 12.952 -3.270 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.644 11.901 -3.853 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.161 10.086 -2.043 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.249 11.759 -5.854 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.848 8.636 -3.085 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.931 10.311 -6.895 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.237 8.747 -5.512 1.00 0.00 H new ATOM 798 N PHE A 54 0.667 10.063 -2.272 1.00 0.00 N ATOM 799 CA PHE A 54 1.347 8.776 -2.291 1.00 0.00 C ATOM 800 C PHE A 54 1.589 8.268 -0.870 1.00 0.00 C ATOM 801 O PHE A 54 1.507 7.068 -0.614 1.00 0.00 O ATOM 802 CB PHE A 54 2.659 8.841 -3.101 1.00 0.00 C ATOM 803 CG PHE A 54 3.808 9.590 -2.465 1.00 0.00 C ATOM 804 CD1 PHE A 54 4.340 9.193 -1.250 1.00 0.00 C ATOM 805 CD2 PHE A 54 4.382 10.676 -3.111 1.00 0.00 C ATOM 806 CE1 PHE A 54 5.412 9.860 -0.692 1.00 0.00 C ATOM 807 CE2 PHE A 54 5.455 11.345 -2.553 1.00 0.00 C ATOM 808 CZ PHE A 54 5.970 10.936 -1.345 1.00 0.00 C ATOM 0 H PHE A 54 1.202 10.837 -2.667 1.00 0.00 H new ATOM 0 HA PHE A 54 0.696 8.061 -2.794 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.986 7.821 -3.302 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.443 9.302 -4.065 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.910 8.349 -0.731 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.985 11.002 -4.061 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.813 9.538 0.257 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.890 12.190 -3.066 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.810 11.457 -0.910 1.00 0.00 H new ATOM 818 N ILE A 55 1.869 9.186 0.057 1.00 0.00 N ATOM 819 CA ILE A 55 2.111 8.811 1.452 1.00 0.00 C ATOM 820 C ILE A 55 0.851 8.248 2.099 1.00 0.00 C ATOM 821 O ILE A 55 0.815 7.090 2.509 1.00 0.00 O ATOM 822 CB ILE A 55 2.601 10.006 2.304 1.00 0.00 C ATOM 823 CG1 ILE A 55 3.890 10.584 1.726 1.00 0.00 C ATOM 824 CG2 ILE A 55 2.816 9.581 3.754 1.00 0.00 C ATOM 825 CD1 ILE A 55 4.454 11.735 2.530 1.00 0.00 C ATOM 0 H ILE A 55 1.934 10.187 -0.130 1.00 0.00 H new ATOM 0 HA ILE A 55 2.891 8.050 1.426 1.00 0.00 H new ATOM 0 HB ILE A 55 1.832 10.779 2.280 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.638 9.793 1.666 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.701 10.922 0.707 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.160 10.436 4.336 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.877 9.214 4.169 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.564 8.789 3.794 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.369 12.094 2.059 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.724 12.544 2.568 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.675 11.398 3.543 1.00 0.00 H new ATOM 837 N VAL A 56 -0.174 9.086 2.208 1.00 0.00 N ATOM 838 CA VAL A 56 -1.430 8.684 2.829 1.00 0.00 C ATOM 839 C VAL A 56 -2.003 7.430 2.178 1.00 0.00 C ATOM 840 O VAL A 56 -2.513 6.545 2.866 1.00 0.00 O ATOM 841 CB VAL A 56 -2.474 9.814 2.755 1.00 0.00 C ATOM 842 CG1 VAL A 56 -3.712 9.453 3.561 1.00 0.00 C ATOM 843 CG2 VAL A 56 -1.872 11.123 3.241 1.00 0.00 C ATOM 0 H VAL A 56 -0.159 10.050 1.874 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.207 8.467 3.874 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.775 9.942 1.715 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.438 10.264 3.496 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.152 8.539 3.162 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.435 9.297 4.603 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.622 11.912 3.183 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.543 11.011 4.274 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.019 11.386 2.615 1.00 0.00 H new ATOM 853 N MET A 57 -1.912 7.351 0.855 1.00 0.00 N ATOM 854 CA MET A 57 -2.424 6.196 0.129 1.00 0.00 C ATOM 855 C MET A 57 -1.549 4.979 0.377 1.00 0.00 C ATOM 856 O MET A 57 -2.041 3.860 0.523 1.00 0.00 O ATOM 857 CB MET A 57 -2.499 6.495 -1.371 1.00 0.00 C ATOM 858 CG MET A 57 -3.019 5.331 -2.196 1.00 0.00 C ATOM 859 SD MET A 57 -3.203 5.738 -3.941 1.00 0.00 S ATOM 860 CE MET A 57 -3.854 4.194 -4.577 1.00 0.00 C ATOM 0 H MET A 57 -1.491 8.070 0.266 1.00 0.00 H new ATOM 0 HA MET A 57 -3.429 5.982 0.493 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.144 7.359 -1.529 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.506 6.769 -1.729 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.337 4.487 -2.095 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.983 5.012 -1.799 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.022 4.285 -5.650 1.00 0.00 H new ATOM 0 HE2 MET A 57 -3.140 3.393 -4.388 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.797 3.964 -4.080 1.00 0.00 H new ATOM 870 N GLY A 58 -0.250 5.215 0.428 1.00 0.00 N ATOM 871 CA GLY A 58 0.695 4.141 0.661 1.00 0.00 C ATOM 872 C GLY A 58 0.558 3.544 2.046 1.00 0.00 C ATOM 873 O GLY A 58 0.533 2.324 2.200 1.00 0.00 O ATOM 0 H GLY A 58 0.172 6.136 0.312 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.545 3.360 -0.085 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.709 4.518 0.529 1.00 0.00 H new ATOM 877 N LEU A 59 0.457 4.403 3.060 1.00 0.00 N ATOM 878 CA LEU A 59 0.304 3.939 4.431 1.00 0.00 C ATOM 879 C LEU A 59 -0.926 3.049 4.540 1.00 0.00 C ATOM 880 O LEU A 59 -0.890 1.987 5.159 1.00 0.00 O ATOM 881 CB LEU A 59 0.183 5.130 5.383 1.00 0.00 C ATOM 882 CG LEU A 59 1.408 6.044 5.435 1.00 0.00 C ATOM 883 CD1 LEU A 59 1.154 7.228 6.359 1.00 0.00 C ATOM 884 CD2 LEU A 59 2.634 5.266 5.887 1.00 0.00 C ATOM 0 H LEU A 59 0.479 5.417 2.955 1.00 0.00 H new ATOM 0 HA LEU A 59 1.185 3.361 4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.682 5.724 5.089 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.014 4.755 6.387 1.00 0.00 H new ATOM 0 HG LEU A 59 1.594 6.427 4.432 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.037 7.867 6.383 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.302 7.800 5.992 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.941 6.866 7.365 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.496 5.932 5.918 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.458 4.854 6.881 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.828 4.454 5.187 1.00 0.00 H new ATOM 896 N VAL A 60 -2.007 3.483 3.903 1.00 0.00 N ATOM 897 CA VAL A 60 -3.248 2.725 3.898 1.00 0.00 C ATOM 898 C VAL A 60 -3.069 1.415 3.137 1.00 0.00 C ATOM 899 O VAL A 60 -3.393 0.341 3.642 1.00 0.00 O ATOM 900 CB VAL A 60 -4.394 3.532 3.255 1.00 0.00 C ATOM 901 CG1 VAL A 60 -5.698 2.752 3.309 1.00 0.00 C ATOM 902 CG2 VAL A 60 -4.544 4.885 3.936 1.00 0.00 C ATOM 0 H VAL A 60 -2.047 4.359 3.382 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.507 2.514 4.936 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.146 3.704 2.208 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.493 3.340 2.850 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.583 1.813 2.768 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.954 2.543 4.348 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.358 5.440 3.468 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.766 4.738 4.993 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.616 5.448 3.835 1.00 0.00 H new ATOM 912 N ASP A 61 -2.545 1.514 1.917 1.00 0.00 N ATOM 913 CA ASP A 61 -2.318 0.344 1.086 1.00 0.00 C ATOM 914 C ASP A 61 -1.198 -0.527 1.639 1.00 0.00 C ATOM 915 O ASP A 61 -1.036 -1.680 1.230 1.00 0.00 O ATOM 916 CB ASP A 61 -1.987 0.774 -0.341 1.00 0.00 C ATOM 917 CG ASP A 61 -3.186 1.359 -1.062 1.00 0.00 C ATOM 918 OD1 ASP A 61 -4.243 0.695 -1.090 1.00 0.00 O ATOM 919 OD2 ASP A 61 -3.064 2.473 -1.613 1.00 0.00 O ATOM 0 H ASP A 61 -2.271 2.397 1.485 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.233 -0.248 1.086 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.185 1.512 -0.318 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.615 -0.085 -0.899 1.00 0.00 H new ATOM 924 N ALA A 62 -0.430 0.011 2.578 1.00 0.00 N ATOM 925 CA ALA A 62 0.649 -0.750 3.180 1.00 0.00 C ATOM 926 C ALA A 62 0.085 -2.007 3.825 1.00 0.00 C ATOM 927 O ALA A 62 0.719 -3.059 3.826 1.00 0.00 O ATOM 928 CB ALA A 62 1.395 0.091 4.205 1.00 0.00 C ATOM 0 H ALA A 62 -0.535 0.961 2.934 1.00 0.00 H new ATOM 0 HA ALA A 62 1.359 -1.035 2.403 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.200 -0.499 4.644 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.815 0.971 3.718 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.706 0.405 4.989 1.00 0.00 H new ATOM 934 N ILE A 63 -1.131 -1.888 4.352 1.00 0.00 N ATOM 935 CA ILE A 63 -1.795 -3.012 4.986 1.00 0.00 C ATOM 936 C ILE A 63 -1.993 -4.156 3.985 1.00 0.00 C ATOM 937 O ILE A 63 -1.382 -5.213 4.145 1.00 0.00 O ATOM 938 CB ILE A 63 -3.124 -2.584 5.651 1.00 0.00 C ATOM 939 CG1 ILE A 63 -2.833 -1.617 6.799 1.00 0.00 C ATOM 940 CG2 ILE A 63 -3.903 -3.794 6.155 1.00 0.00 C ATOM 941 CD1 ILE A 63 -4.070 -1.177 7.553 1.00 0.00 C ATOM 0 H ILE A 63 -1.672 -1.023 4.350 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.152 -3.381 5.785 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.741 -2.083 4.905 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.143 -2.092 7.496 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.328 -0.736 6.401 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.832 -3.462 6.617 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.130 -4.455 5.318 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.304 -4.332 6.890 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.785 -0.493 8.352 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.753 -0.672 6.869 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.564 -2.049 7.981 1.00 0.00 H new ATOM 953 N PRO A 64 -2.827 -3.997 2.929 1.00 0.00 N ATOM 954 CA PRO A 64 -3.004 -5.068 1.957 1.00 0.00 C ATOM 955 C PRO A 64 -1.676 -5.474 1.345 1.00 0.00 C ATOM 956 O PRO A 64 -1.504 -6.605 0.896 1.00 0.00 O ATOM 957 CB PRO A 64 -3.918 -4.481 0.880 1.00 0.00 C ATOM 958 CG PRO A 64 -4.529 -3.261 1.473 1.00 0.00 C ATOM 959 CD PRO A 64 -3.638 -2.807 2.599 1.00 0.00 C ATOM 0 HA PRO A 64 -3.423 -5.962 2.419 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.352 -4.235 -0.019 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.685 -5.198 0.588 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.626 -2.477 0.722 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.532 -3.475 1.841 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.010 -1.970 2.295 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.221 -2.473 3.457 1.00 0.00 H new ATOM 967 N MET A 65 -0.733 -4.544 1.347 1.00 0.00 N ATOM 968 CA MET A 65 0.587 -4.812 0.806 1.00 0.00 C ATOM 969 C MET A 65 1.319 -5.774 1.733 1.00 0.00 C ATOM 970 O MET A 65 2.092 -6.623 1.289 1.00 0.00 O ATOM 971 CB MET A 65 1.371 -3.501 0.655 1.00 0.00 C ATOM 972 CG MET A 65 2.613 -3.604 -0.208 1.00 0.00 C ATOM 973 SD MET A 65 3.930 -4.587 0.535 1.00 0.00 S ATOM 974 CE MET A 65 5.171 -4.516 -0.755 1.00 0.00 C ATOM 0 H MET A 65 -0.858 -3.601 1.716 1.00 0.00 H new ATOM 0 HA MET A 65 0.496 -5.267 -0.180 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.711 -2.745 0.230 1.00 0.00 H new ATOM 0 HB3 MET A 65 1.661 -3.150 1.645 1.00 0.00 H new ATOM 0 HG2 MET A 65 2.342 -4.042 -1.169 1.00 0.00 H new ATOM 0 HG3 MET A 65 2.989 -2.601 -0.410 1.00 0.00 H new ATOM 0 HE1 MET A 65 6.051 -5.079 -0.445 1.00 0.00 H new ATOM 0 HE2 MET A 65 4.768 -4.947 -1.671 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.450 -3.478 -0.935 1.00 0.00 H new ATOM 984 N ILE A 66 1.036 -5.652 3.028 1.00 0.00 N ATOM 985 CA ILE A 66 1.646 -6.518 4.031 1.00 0.00 C ATOM 986 C ILE A 66 0.974 -7.884 4.027 1.00 0.00 C ATOM 987 O ILE A 66 1.643 -8.914 4.082 1.00 0.00 O ATOM 988 CB ILE A 66 1.571 -5.884 5.444 1.00 0.00 C ATOM 989 CG1 ILE A 66 2.528 -4.691 5.533 1.00 0.00 C ATOM 990 CG2 ILE A 66 1.898 -6.900 6.531 1.00 0.00 C ATOM 991 CD1 ILE A 66 2.414 -3.918 6.829 1.00 0.00 C ATOM 0 H ILE A 66 0.388 -4.961 3.406 1.00 0.00 H new ATOM 0 HA ILE A 66 2.698 -6.640 3.775 1.00 0.00 H new ATOM 0 HB ILE A 66 0.549 -5.542 5.605 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.552 -5.048 5.422 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.333 -4.017 4.699 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.836 -6.420 7.508 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.186 -7.724 6.485 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.907 -7.284 6.379 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.121 -3.088 6.821 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.401 -3.530 6.934 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.638 -4.578 7.667 1.00 0.00 H new ATOM 1003 N ALA A 67 -0.352 -7.888 3.950 1.00 0.00 N ATOM 1004 CA ALA A 67 -1.101 -9.130 3.923 1.00 0.00 C ATOM 1005 C ALA A 67 -0.825 -9.881 2.629 1.00 0.00 C ATOM 1006 O ALA A 67 -0.467 -11.058 2.637 1.00 0.00 O ATOM 1007 CB ALA A 67 -2.590 -8.858 4.078 1.00 0.00 C ATOM 0 H ALA A 67 -0.925 -7.046 3.905 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.779 -9.750 4.760 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.136 -9.801 4.055 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.771 -8.356 5.029 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.931 -8.222 3.261 1.00 0.00 H new ATOM 1013 N VAL A 68 -0.973 -9.179 1.513 1.00 0.00 N ATOM 1014 CA VAL A 68 -0.720 -9.768 0.208 1.00 0.00 C ATOM 1015 C VAL A 68 0.767 -10.026 0.026 1.00 0.00 C ATOM 1016 O VAL A 68 1.160 -10.965 -0.663 1.00 0.00 O ATOM 1017 CB VAL A 68 -1.236 -8.864 -0.932 1.00 0.00 C ATOM 1018 CG1 VAL A 68 -0.989 -9.505 -2.292 1.00 0.00 C ATOM 1019 CG2 VAL A 68 -2.715 -8.564 -0.739 1.00 0.00 C ATOM 0 H VAL A 68 -1.267 -8.203 1.487 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.261 -10.713 0.163 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.684 -7.925 -0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.362 -8.847 -3.077 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.080 -9.665 -2.430 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.508 -10.462 -2.343 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.066 -7.926 -1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.279 -9.497 -0.742 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.862 -8.054 0.213 1.00 0.00 H new ATOM 1029 N GLY A 69 1.592 -9.192 0.657 1.00 0.00 N ATOM 1030 CA GLY A 69 3.028 -9.362 0.560 1.00 0.00 C ATOM 1031 C GLY A 69 3.498 -10.602 1.293 1.00 0.00 C ATOM 1032 O GLY A 69 4.218 -11.431 0.734 1.00 0.00 O ATOM 0 H GLY A 69 1.290 -8.405 1.231 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.316 -9.429 -0.489 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.527 -8.485 0.972 1.00 0.00 H new ATOM 1036 N LEU A 70 3.082 -10.739 2.551 1.00 0.00 N ATOM 1037 CA LEU A 70 3.448 -11.881 3.351 1.00 0.00 C ATOM 1038 C LEU A 70 2.901 -13.148 2.726 1.00 0.00 C ATOM 1039 O LEU A 70 3.580 -14.173 2.658 1.00 0.00 O ATOM 1040 CB LEU A 70 2.901 -11.697 4.762 1.00 0.00 C ATOM 1041 CG LEU A 70 1.380 -11.764 4.916 1.00 0.00 C ATOM 1042 CD1 LEU A 70 0.887 -13.207 4.891 1.00 0.00 C ATOM 1043 CD2 LEU A 70 0.948 -11.073 6.201 1.00 0.00 C ATOM 0 H LEU A 70 2.488 -10.063 3.030 1.00 0.00 H new ATOM 0 HA LEU A 70 4.534 -11.966 3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.343 -12.460 5.402 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.240 -10.731 5.137 1.00 0.00 H new ATOM 0 HG LEU A 70 0.931 -11.243 4.071 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.197 -13.223 5.002 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.161 -13.669 3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.344 -13.762 5.710 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.136 -11.129 6.297 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.414 -11.567 7.054 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.257 -10.028 6.174 1.00 0.00 H new ATOM 1055 N GLY A 71 1.661 -13.061 2.271 1.00 0.00 N ATOM 1056 CA GLY A 71 1.019 -14.200 1.650 1.00 0.00 C ATOM 1057 C GLY A 71 1.741 -14.663 0.399 1.00 0.00 C ATOM 1058 O GLY A 71 2.070 -15.838 0.269 1.00 0.00 O ATOM 0 H GLY A 71 1.086 -12.220 2.321 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.974 -15.022 2.365 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.009 -13.940 1.397 1.00 0.00 H new ATOM 1062 N LEU A 72 1.983 -13.735 -0.521 1.00 0.00 N ATOM 1063 CA LEU A 72 2.664 -14.051 -1.772 1.00 0.00 C ATOM 1064 C LEU A 72 4.088 -14.512 -1.519 1.00 0.00 C ATOM 1065 O LEU A 72 4.631 -15.326 -2.265 1.00 0.00 O ATOM 1066 CB LEU A 72 2.663 -12.835 -2.700 1.00 0.00 C ATOM 1067 CG LEU A 72 3.361 -11.592 -2.155 1.00 0.00 C ATOM 1068 CD1 LEU A 72 4.875 -11.751 -2.209 1.00 0.00 C ATOM 1069 CD2 LEU A 72 2.912 -10.353 -2.921 1.00 0.00 C ATOM 0 H LEU A 72 1.717 -12.755 -0.423 1.00 0.00 H new ATOM 0 HA LEU A 72 2.122 -14.866 -2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.140 -13.116 -3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.630 -12.578 -2.932 1.00 0.00 H new ATOM 0 HG LEU A 72 3.078 -11.468 -1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.350 -10.852 -1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.172 -12.611 -1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.188 -11.904 -3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.418 -9.475 -2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.162 -10.467 -3.976 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.834 -10.230 -2.815 1.00 0.00 H new ATOM 1081 N TYR A 73 4.685 -13.998 -0.453 1.00 0.00 N ATOM 1082 CA TYR A 73 6.048 -14.358 -0.098 1.00 0.00 C ATOM 1083 C TYR A 73 6.189 -15.871 -0.015 1.00 0.00 C ATOM 1084 O TYR A 73 7.106 -16.457 -0.587 1.00 0.00 O ATOM 1085 CB TYR A 73 6.429 -13.716 1.239 1.00 0.00 C ATOM 1086 CG TYR A 73 7.817 -14.075 1.713 1.00 0.00 C ATOM 1087 CD1 TYR A 73 8.947 -13.526 1.117 1.00 0.00 C ATOM 1088 CD2 TYR A 73 7.996 -14.987 2.745 1.00 0.00 C ATOM 1089 CE1 TYR A 73 10.217 -13.874 1.541 1.00 0.00 C ATOM 1090 CE2 TYR A 73 9.262 -15.339 3.177 1.00 0.00 C ATOM 1091 CZ TYR A 73 10.369 -14.782 2.571 1.00 0.00 C ATOM 1092 OH TYR A 73 11.630 -15.132 2.997 1.00 0.00 O ATOM 0 H TYR A 73 4.246 -13.330 0.181 1.00 0.00 H new ATOM 0 HA TYR A 73 6.722 -13.988 -0.871 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.356 -12.633 1.145 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.706 -14.020 1.996 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.831 -12.817 0.311 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.132 -15.429 3.218 1.00 0.00 H new ATOM 0 HE1 TYR A 73 11.085 -13.438 1.069 1.00 0.00 H new ATOM 0 HE2 TYR A 73 9.383 -16.046 3.984 1.00 0.00 H new ATOM 0 HH TYR A 73 11.560 -15.780 3.729 1.00 0.00 H new ATOM 1102 N VAL A 74 5.260 -16.497 0.694 1.00 0.00 N ATOM 1103 CA VAL A 74 5.257 -17.943 0.847 1.00 0.00 C ATOM 1104 C VAL A 74 4.450 -18.594 -0.271 1.00 0.00 C ATOM 1105 O VAL A 74 4.728 -19.721 -0.678 1.00 0.00 O ATOM 1106 CB VAL A 74 4.659 -18.365 2.205 1.00 0.00 C ATOM 1107 CG1 VAL A 74 4.721 -19.877 2.373 1.00 0.00 C ATOM 1108 CG2 VAL A 74 5.374 -17.661 3.351 1.00 0.00 C ATOM 0 H VAL A 74 4.496 -16.022 1.174 1.00 0.00 H new ATOM 0 HA VAL A 74 6.294 -18.276 0.800 1.00 0.00 H new ATOM 0 HB VAL A 74 3.611 -18.065 2.226 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.294 -20.154 3.337 1.00 0.00 H new ATOM 0 HG12 VAL A 74 4.154 -20.355 1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.759 -20.206 2.328 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.936 -17.973 4.299 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.432 -17.923 3.336 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.266 -16.582 3.239 1.00 0.00 H new ATOM 1118 N MET A 75 3.431 -17.880 -0.748 1.00 0.00 N ATOM 1119 CA MET A 75 2.556 -18.395 -1.796 1.00 0.00 C ATOM 1120 C MET A 75 3.164 -18.252 -3.190 1.00 0.00 C ATOM 1121 O MET A 75 3.503 -19.239 -3.827 1.00 0.00 O ATOM 1122 CB MET A 75 1.199 -17.689 -1.739 1.00 0.00 C ATOM 1123 CG MET A 75 0.256 -18.232 -0.666 1.00 0.00 C ATOM 1124 SD MET A 75 1.035 -18.444 0.950 1.00 0.00 S ATOM 1125 CE MET A 75 1.717 -20.093 0.788 1.00 0.00 C ATOM 0 H MET A 75 3.192 -16.943 -0.424 1.00 0.00 H new ATOM 0 HA MET A 75 2.425 -19.461 -1.611 1.00 0.00 H new ATOM 0 HB2 MET A 75 1.362 -16.626 -1.560 1.00 0.00 H new ATOM 0 HB3 MET A 75 0.715 -17.778 -2.711 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.592 -17.555 -0.564 1.00 0.00 H new ATOM 0 HG3 MET A 75 -0.141 -19.192 -0.996 1.00 0.00 H new ATOM 0 HE1 MET A 75 1.942 -20.492 1.777 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.993 -20.739 0.292 1.00 0.00 H new ATOM 0 HE3 MET A 75 2.631 -20.052 0.196 1.00 0.00 H new ATOM 1135 N PHE A 76 3.284 -17.029 -3.675 1.00 0.00 N ATOM 1136 CA PHE A 76 3.832 -16.799 -5.012 1.00 0.00 C ATOM 1137 C PHE A 76 5.252 -17.339 -5.173 1.00 0.00 C ATOM 1138 O PHE A 76 5.697 -17.595 -6.292 1.00 0.00 O ATOM 1139 CB PHE A 76 3.833 -15.303 -5.336 1.00 0.00 C ATOM 1140 CG PHE A 76 2.488 -14.730 -5.707 1.00 0.00 C ATOM 1141 CD1 PHE A 76 1.323 -15.457 -5.528 1.00 0.00 C ATOM 1142 CD2 PHE A 76 2.398 -13.458 -6.247 1.00 0.00 C ATOM 1143 CE1 PHE A 76 0.102 -14.924 -5.879 1.00 0.00 C ATOM 1144 CE2 PHE A 76 1.178 -12.925 -6.603 1.00 0.00 C ATOM 1145 CZ PHE A 76 0.028 -13.658 -6.418 1.00 0.00 C ATOM 0 H PHE A 76 3.014 -16.183 -3.173 1.00 0.00 H new ATOM 0 HA PHE A 76 3.187 -17.340 -5.704 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.217 -14.760 -4.472 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.526 -15.125 -6.158 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.372 -16.451 -5.109 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.296 -12.876 -6.391 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.800 -15.500 -5.731 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.124 -11.933 -7.027 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.930 -13.242 -6.694 1.00 0.00 H new ATOM 1155 N ALA A 77 5.968 -17.494 -4.071 1.00 0.00 N ATOM 1156 CA ALA A 77 7.342 -17.975 -4.128 1.00 0.00 C ATOM 1157 C ALA A 77 7.424 -19.483 -4.307 1.00 0.00 C ATOM 1158 O ALA A 77 8.091 -19.976 -5.217 1.00 0.00 O ATOM 1159 CB ALA A 77 8.102 -17.550 -2.882 1.00 0.00 C ATOM 0 H ALA A 77 5.625 -17.296 -3.131 1.00 0.00 H new ATOM 0 HA ALA A 77 7.803 -17.523 -5.006 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.127 -17.916 -2.938 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.109 -16.462 -2.813 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.616 -17.966 -2.000 1.00 0.00 H new ATOM 1165 N VAL A 78 6.768 -20.207 -3.422 1.00 0.00 N ATOM 1166 CA VAL A 78 6.787 -21.661 -3.461 1.00 0.00 C ATOM 1167 C VAL A 78 5.409 -22.253 -3.738 1.00 0.00 C ATOM 1168 O VAL A 78 5.292 -23.420 -4.113 1.00 0.00 O ATOM 1169 CB VAL A 78 7.330 -22.238 -2.141 1.00 0.00 C ATOM 1170 CG1 VAL A 78 6.400 -21.911 -0.981 1.00 0.00 C ATOM 1171 CG2 VAL A 78 7.555 -23.739 -2.254 1.00 0.00 C ATOM 0 H VAL A 78 6.212 -19.813 -2.663 1.00 0.00 H new ATOM 0 HA VAL A 78 7.447 -21.938 -4.283 1.00 0.00 H new ATOM 0 HB VAL A 78 8.294 -21.770 -1.941 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.806 -22.330 -0.060 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.311 -20.829 -0.880 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.416 -22.340 -1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.939 -24.122 -1.308 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.611 -24.232 -2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 78 8.276 -23.940 -3.046 1.00 0.00 H new ATOM 1181 N ALA A 79 4.367 -21.455 -3.550 1.00 0.00 N ATOM 1182 CA ALA A 79 3.002 -21.932 -3.783 1.00 0.00 C ATOM 1183 C ALA A 79 2.399 -21.315 -5.041 1.00 0.00 C ATOM 1184 O ALA A 79 2.884 -21.544 -6.149 1.00 0.00 O ATOM 1185 CB ALA A 79 2.123 -21.642 -2.575 1.00 0.00 C ATOM 0 H ALA A 79 4.434 -20.485 -3.241 1.00 0.00 H new ATOM 0 HA ALA A 79 3.050 -23.011 -3.933 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.112 -22.003 -2.765 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.530 -22.147 -1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.096 -20.567 -2.394 1.00 0.00 H new TER 1191 ALA A 79