USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=12 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 Set 1.1: A 6 MET CE :methyl -136:sc= -3.29! (180deg=-7.41!) USER MOD Set 1.2: A 10 TYR OH : rot 180:sc= -0.913 USER MOD Single : A 1 MET CE :methyl -177:sc= -2.35! (180deg=-2.37) USER MOD Single : A 1 MET N :NH3+ 164:sc= -0.957 (180deg=-1.51) USER MOD Single : A 3 ASN : amide:sc=-0.00166 X(o=-0.0017,f=-0.0017) USER MOD Single : A 5 ASN : amide:sc= -6.08! C(o=-6.1!,f=-11!) USER MOD Single : A 11 MET CE :methyl -161:sc= -0.188 (180deg=-0.896) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -116:sc= -2.5 (180deg=-6.92!) USER MOD Single : A 34 LYS NZ :NH3+ 137:sc= -2.78! (180deg=-5.53!) USER MOD Single : A 42 GLN : amide:sc=-0.000488 X(o=-0.00049,f=0) USER MOD Single : A 51 THR OG1 : rot 107:sc= 0.739 USER MOD Single : A 52 GLN : amide:sc= -5.75! K(o=-5.7!,f=-4.1) USER MOD Single : A 57 MET CE :methyl -123:sc= -2.74! (180deg=-6.26!) USER MOD Single : A 65 MET CE :methyl 162:sc= -0.0858 (180deg=-0.525) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -170:sc= 0 (180deg=-0.137) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.088 -29.935 0.424 1.00 0.00 N ATOM 2 CA MET A 1 -5.555 -28.591 0.865 1.00 0.00 C ATOM 3 C MET A 1 -4.585 -27.492 0.437 1.00 0.00 C ATOM 4 O MET A 1 -4.833 -26.312 0.674 1.00 0.00 O ATOM 5 CB MET A 1 -5.701 -28.587 2.392 1.00 0.00 C ATOM 6 CG MET A 1 -7.062 -29.047 2.915 1.00 0.00 C ATOM 7 SD MET A 1 -7.415 -30.793 2.618 1.00 0.00 S ATOM 8 CE MET A 1 -8.168 -30.722 0.994 1.00 0.00 C ATOM 0 H1 MET A 1 -5.604 -30.671 0.947 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.264 -30.047 -0.595 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.069 -30.027 0.611 1.00 0.00 H new ATOM 0 HA MET A 1 -6.516 -28.388 0.393 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.930 -29.230 2.817 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.511 -27.578 2.757 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.111 -28.855 3.987 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.841 -28.445 2.447 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.489 -31.721 0.698 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.031 -30.057 1.022 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.443 -30.345 0.273 1.00 0.00 H new ATOM 20 N GLU A 2 -3.482 -27.886 -0.194 1.00 0.00 N ATOM 21 CA GLU A 2 -2.476 -26.933 -0.649 1.00 0.00 C ATOM 22 C GLU A 2 -3.027 -26.037 -1.757 1.00 0.00 C ATOM 23 O GLU A 2 -2.963 -24.808 -1.676 1.00 0.00 O ATOM 24 CB GLU A 2 -1.235 -27.675 -1.144 1.00 0.00 C ATOM 25 CG GLU A 2 -0.575 -28.527 -0.072 1.00 0.00 C ATOM 26 CD GLU A 2 0.634 -29.281 -0.590 1.00 0.00 C ATOM 27 OE1 GLU A 2 1.590 -28.624 -1.052 1.00 0.00 O ATOM 28 OE2 GLU A 2 0.625 -30.529 -0.532 1.00 0.00 O ATOM 0 H GLU A 2 -3.263 -28.860 -0.402 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.203 -26.300 0.195 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -1.512 -28.312 -1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.512 -26.950 -1.518 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.273 -27.889 0.759 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.302 -29.238 0.320 1.00 0.00 H new ATOM 35 N ASN A 3 -3.562 -26.661 -2.797 1.00 0.00 N ATOM 36 CA ASN A 3 -4.118 -25.919 -3.917 1.00 0.00 C ATOM 37 C ASN A 3 -5.301 -25.072 -3.470 1.00 0.00 C ATOM 38 O ASN A 3 -5.546 -24.001 -4.017 1.00 0.00 O ATOM 39 CB ASN A 3 -4.557 -26.872 -5.030 1.00 0.00 C ATOM 40 CG ASN A 3 -3.415 -27.722 -5.555 1.00 0.00 C ATOM 41 OD1 ASN A 3 -2.406 -27.201 -6.030 1.00 0.00 O ATOM 42 ND2 ASN A 3 -3.571 -29.039 -5.475 1.00 0.00 N ATOM 0 H ASN A 3 -3.622 -27.675 -2.888 1.00 0.00 H new ATOM 0 HA ASN A 3 -3.339 -25.260 -4.301 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -5.347 -27.523 -4.655 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -4.982 -26.295 -5.851 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -2.838 -29.661 -5.815 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -4.424 -29.428 -5.074 1.00 0.00 H new ATOM 49 N LEU A 4 -6.034 -25.558 -2.471 1.00 0.00 N ATOM 50 CA LEU A 4 -7.193 -24.839 -1.955 1.00 0.00 C ATOM 51 C LEU A 4 -6.774 -23.618 -1.150 1.00 0.00 C ATOM 52 O LEU A 4 -7.259 -22.519 -1.399 1.00 0.00 O ATOM 53 CB LEU A 4 -8.065 -25.766 -1.108 1.00 0.00 C ATOM 54 CG LEU A 4 -8.610 -26.988 -1.850 1.00 0.00 C ATOM 55 CD1 LEU A 4 -9.504 -27.813 -0.940 1.00 0.00 C ATOM 56 CD2 LEU A 4 -9.367 -26.560 -3.098 1.00 0.00 C ATOM 0 H LEU A 4 -5.845 -26.445 -2.004 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.777 -24.492 -2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.483 -26.108 -0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.905 -25.193 -0.714 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.767 -27.608 -2.154 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.881 -28.677 -1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.931 -28.152 -0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.342 -27.203 -0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.748 -27.442 -3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.201 -25.917 -2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.696 -26.014 -3.761 1.00 0.00 H new ATOM 68 N ASN A 5 -5.868 -23.796 -0.196 1.00 0.00 N ATOM 69 CA ASN A 5 -5.414 -22.660 0.597 1.00 0.00 C ATOM 70 C ASN A 5 -4.573 -21.729 -0.274 1.00 0.00 C ATOM 71 O ASN A 5 -4.361 -20.566 0.069 1.00 0.00 O ATOM 72 CB ASN A 5 -4.617 -23.112 1.827 1.00 0.00 C ATOM 73 CG ASN A 5 -3.245 -23.648 1.475 1.00 0.00 C ATOM 74 OD1 ASN A 5 -3.115 -24.569 0.677 1.00 0.00 O ATOM 75 ND2 ASN A 5 -2.211 -23.068 2.074 1.00 0.00 N ATOM 0 H ASN A 5 -5.442 -24.691 0.044 1.00 0.00 H new ATOM 0 HA ASN A 5 -6.291 -22.123 0.958 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.508 -22.271 2.512 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -5.179 -23.883 2.355 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -1.262 -23.387 1.876 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -2.366 -22.304 2.732 1.00 0.00 H new ATOM 82 N MET A 6 -4.096 -22.249 -1.405 1.00 0.00 N ATOM 83 CA MET A 6 -3.290 -21.461 -2.326 1.00 0.00 C ATOM 84 C MET A 6 -4.191 -20.682 -3.290 1.00 0.00 C ATOM 85 O MET A 6 -4.006 -19.477 -3.494 1.00 0.00 O ATOM 86 CB MET A 6 -2.337 -22.379 -3.095 1.00 0.00 C ATOM 87 CG MET A 6 -1.239 -21.645 -3.849 1.00 0.00 C ATOM 88 SD MET A 6 -0.278 -20.551 -2.784 1.00 0.00 S ATOM 89 CE MET A 6 0.963 -19.955 -3.930 1.00 0.00 C ATOM 0 H MET A 6 -4.256 -23.212 -1.702 1.00 0.00 H new ATOM 0 HA MET A 6 -2.700 -20.741 -1.759 1.00 0.00 H new ATOM 0 HB2 MET A 6 -1.878 -23.076 -2.394 1.00 0.00 H new ATOM 0 HB3 MET A 6 -2.915 -22.973 -3.803 1.00 0.00 H new ATOM 0 HG2 MET A 6 -0.573 -22.373 -4.312 1.00 0.00 H new ATOM 0 HG3 MET A 6 -1.684 -21.062 -4.655 1.00 0.00 H new ATOM 0 HE1 MET A 6 1.941 -19.971 -3.448 1.00 0.00 H new ATOM 0 HE2 MET A 6 0.982 -20.596 -4.811 1.00 0.00 H new ATOM 0 HE3 MET A 6 0.722 -18.935 -4.229 1.00 0.00 H new ATOM 99 N ASP A 7 -5.182 -21.367 -3.866 1.00 0.00 N ATOM 100 CA ASP A 7 -6.112 -20.728 -4.783 1.00 0.00 C ATOM 101 C ASP A 7 -7.060 -19.822 -4.011 1.00 0.00 C ATOM 102 O ASP A 7 -7.359 -18.708 -4.446 1.00 0.00 O ATOM 103 CB ASP A 7 -6.888 -21.766 -5.603 1.00 0.00 C ATOM 104 CG ASP A 7 -7.892 -22.559 -4.788 1.00 0.00 C ATOM 105 OD1 ASP A 7 -8.793 -21.939 -4.186 1.00 0.00 O ATOM 106 OD2 ASP A 7 -7.793 -23.803 -4.775 1.00 0.00 O ATOM 0 H ASP A 7 -5.356 -22.360 -3.711 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.542 -20.121 -5.486 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.411 -21.259 -6.414 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.180 -22.456 -6.063 1.00 0.00 H new ATOM 111 N LEU A 8 -7.514 -20.289 -2.848 1.00 0.00 N ATOM 112 CA LEU A 8 -8.394 -19.498 -2.020 1.00 0.00 C ATOM 113 C LEU A 8 -7.677 -18.225 -1.592 1.00 0.00 C ATOM 114 O LEU A 8 -8.295 -17.170 -1.442 1.00 0.00 O ATOM 115 CB LEU A 8 -8.821 -20.302 -0.796 1.00 0.00 C ATOM 116 CG LEU A 8 -9.820 -21.432 -1.062 1.00 0.00 C ATOM 117 CD1 LEU A 8 -10.135 -22.177 0.230 1.00 0.00 C ATOM 118 CD2 LEU A 8 -11.095 -20.880 -1.682 1.00 0.00 C ATOM 0 H LEU A 8 -7.283 -21.207 -2.468 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.285 -19.232 -2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.930 -20.730 -0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.259 -19.618 -0.069 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.370 -22.133 -1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.846 -22.977 0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.218 -22.603 0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -10.566 -21.485 0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -11.794 -21.696 -1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -11.548 -20.160 -1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.858 -20.388 -2.625 1.00 0.00 H new ATOM 130 N LEU A 9 -6.360 -18.327 -1.414 1.00 0.00 N ATOM 131 CA LEU A 9 -5.564 -17.175 -1.026 1.00 0.00 C ATOM 132 C LEU A 9 -5.486 -16.197 -2.190 1.00 0.00 C ATOM 133 O LEU A 9 -5.762 -15.010 -2.025 1.00 0.00 O ATOM 134 CB LEU A 9 -4.167 -17.596 -0.557 1.00 0.00 C ATOM 135 CG LEU A 9 -3.303 -16.458 -0.007 1.00 0.00 C ATOM 136 CD1 LEU A 9 -2.143 -17.008 0.810 1.00 0.00 C ATOM 137 CD2 LEU A 9 -2.785 -15.585 -1.141 1.00 0.00 C ATOM 0 H LEU A 9 -5.830 -19.190 -1.532 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.046 -16.681 -0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.273 -18.358 0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.643 -18.059 -1.393 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.924 -15.846 0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.542 -16.182 1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.531 -17.591 1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.524 -17.646 0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.173 -14.781 -0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.183 -16.189 -1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.627 -15.158 -1.685 1.00 0.00 H new ATOM 149 N TYR A 10 -5.161 -16.702 -3.388 1.00 0.00 N ATOM 150 CA TYR A 10 -5.105 -15.842 -4.575 1.00 0.00 C ATOM 151 C TYR A 10 -6.369 -15.007 -4.643 1.00 0.00 C ATOM 152 O TYR A 10 -6.332 -13.780 -4.736 1.00 0.00 O ATOM 153 CB TYR A 10 -5.047 -16.662 -5.868 1.00 0.00 C ATOM 154 CG TYR A 10 -3.880 -17.605 -6.007 1.00 0.00 C ATOM 155 CD1 TYR A 10 -2.820 -17.601 -5.114 1.00 0.00 C ATOM 156 CD2 TYR A 10 -3.853 -18.505 -7.056 1.00 0.00 C ATOM 157 CE1 TYR A 10 -1.764 -18.475 -5.267 1.00 0.00 C ATOM 158 CE2 TYR A 10 -2.803 -19.383 -7.217 1.00 0.00 C ATOM 159 CZ TYR A 10 -1.762 -19.365 -6.321 1.00 0.00 C ATOM 160 OH TYR A 10 -0.712 -20.238 -6.478 1.00 0.00 O ATOM 0 H TYR A 10 -4.937 -17.682 -3.559 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.208 -15.228 -4.489 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.967 -17.241 -5.948 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.031 -15.971 -6.711 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.821 -16.905 -4.288 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.670 -18.520 -7.762 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.943 -18.463 -4.565 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -2.799 -20.080 -8.042 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.866 -20.797 -7.268 1.00 0.00 H new ATOM 170 N MET A 11 -7.492 -15.714 -4.611 1.00 0.00 N ATOM 171 CA MET A 11 -8.801 -15.097 -4.679 1.00 0.00 C ATOM 172 C MET A 11 -9.024 -14.210 -3.467 1.00 0.00 C ATOM 173 O MET A 11 -9.593 -13.124 -3.572 1.00 0.00 O ATOM 174 CB MET A 11 -9.869 -16.187 -4.751 1.00 0.00 C ATOM 175 CG MET A 11 -11.236 -15.676 -5.177 1.00 0.00 C ATOM 176 SD MET A 11 -12.471 -16.986 -5.272 1.00 0.00 S ATOM 177 CE MET A 11 -11.738 -18.052 -6.511 1.00 0.00 C ATOM 0 H MET A 11 -7.516 -16.731 -4.537 1.00 0.00 H new ATOM 0 HA MET A 11 -8.865 -14.476 -5.572 1.00 0.00 H new ATOM 0 HB2 MET A 11 -9.544 -16.956 -5.452 1.00 0.00 H new ATOM 0 HB3 MET A 11 -9.957 -16.662 -3.774 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.572 -14.917 -4.471 1.00 0.00 H new ATOM 0 HG3 MET A 11 -11.151 -15.191 -6.150 1.00 0.00 H new ATOM 0 HE1 MET A 11 -12.504 -18.708 -6.926 1.00 0.00 H new ATOM 0 HE2 MET A 11 -11.311 -17.443 -7.308 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.953 -18.655 -6.054 1.00 0.00 H new ATOM 187 N ALA A 12 -8.552 -14.674 -2.316 1.00 0.00 N ATOM 188 CA ALA A 12 -8.680 -13.912 -1.083 1.00 0.00 C ATOM 189 C ALA A 12 -7.960 -12.585 -1.219 1.00 0.00 C ATOM 190 O ALA A 12 -8.394 -11.587 -0.665 1.00 0.00 O ATOM 191 CB ALA A 12 -8.139 -14.702 0.097 1.00 0.00 C ATOM 0 H ALA A 12 -8.079 -15.572 -2.212 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.737 -13.719 -0.898 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.245 -14.113 1.008 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.698 -15.632 0.199 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.086 -14.928 -0.069 1.00 0.00 H new ATOM 197 N ALA A 13 -6.870 -12.579 -1.978 1.00 0.00 N ATOM 198 CA ALA A 13 -6.106 -11.363 -2.205 1.00 0.00 C ATOM 199 C ALA A 13 -6.916 -10.388 -3.041 1.00 0.00 C ATOM 200 O ALA A 13 -6.868 -9.180 -2.823 1.00 0.00 O ATOM 201 CB ALA A 13 -4.790 -11.689 -2.892 1.00 0.00 C ATOM 0 H ALA A 13 -6.497 -13.405 -2.446 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.887 -10.899 -1.244 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.228 -10.770 -3.056 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.208 -12.363 -2.263 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.989 -12.169 -3.850 1.00 0.00 H new ATOM 207 N ALA A 14 -7.676 -10.927 -3.991 1.00 0.00 N ATOM 208 CA ALA A 14 -8.517 -10.105 -4.847 1.00 0.00 C ATOM 209 C ALA A 14 -9.626 -9.477 -4.017 1.00 0.00 C ATOM 210 O ALA A 14 -9.826 -8.263 -4.038 1.00 0.00 O ATOM 211 CB ALA A 14 -9.100 -10.936 -5.982 1.00 0.00 C ATOM 0 H ALA A 14 -7.725 -11.927 -4.185 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.911 -9.313 -5.288 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.726 -10.304 -6.611 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.290 -11.355 -6.580 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.702 -11.745 -5.568 1.00 0.00 H new ATOM 217 N VAL A 15 -10.327 -10.319 -3.264 1.00 0.00 N ATOM 218 CA VAL A 15 -11.402 -9.856 -2.398 1.00 0.00 C ATOM 219 C VAL A 15 -10.835 -8.927 -1.335 1.00 0.00 C ATOM 220 O VAL A 15 -11.356 -7.843 -1.100 1.00 0.00 O ATOM 221 CB VAL A 15 -12.124 -11.035 -1.718 1.00 0.00 C ATOM 222 CG1 VAL A 15 -13.300 -10.541 -0.888 1.00 0.00 C ATOM 223 CG2 VAL A 15 -12.580 -12.047 -2.758 1.00 0.00 C ATOM 0 H VAL A 15 -10.168 -11.326 -3.237 1.00 0.00 H new ATOM 0 HA VAL A 15 -12.127 -9.323 -3.013 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.423 -11.528 -1.045 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -13.795 -11.390 -0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -12.941 -9.858 -0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -14.008 -10.021 -1.533 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -13.088 -12.874 -2.262 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -13.265 -11.567 -3.457 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -11.714 -12.426 -3.301 1.00 0.00 H new ATOM 233 N MET A 16 -9.743 -9.360 -0.715 1.00 0.00 N ATOM 234 CA MET A 16 -9.072 -8.565 0.312 1.00 0.00 C ATOM 235 C MET A 16 -8.629 -7.222 -0.247 1.00 0.00 C ATOM 236 O MET A 16 -8.826 -6.179 0.376 1.00 0.00 O ATOM 237 CB MET A 16 -7.861 -9.321 0.878 1.00 0.00 C ATOM 238 CG MET A 16 -8.158 -10.070 2.167 1.00 0.00 C ATOM 239 SD MET A 16 -9.512 -11.249 1.995 1.00 0.00 S ATOM 240 CE MET A 16 -9.634 -11.872 3.670 1.00 0.00 C ATOM 0 H MET A 16 -9.301 -10.259 -0.905 1.00 0.00 H new ATOM 0 HA MET A 16 -9.785 -8.389 1.118 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.504 -10.029 0.130 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.053 -8.612 1.058 1.00 0.00 H new ATOM 0 HG2 MET A 16 -7.261 -10.599 2.489 1.00 0.00 H new ATOM 0 HG3 MET A 16 -8.404 -9.353 2.950 1.00 0.00 H new ATOM 0 HE1 MET A 16 -10.431 -12.614 3.725 1.00 0.00 H new ATOM 0 HE2 MET A 16 -8.689 -12.333 3.956 1.00 0.00 H new ATOM 0 HE3 MET A 16 -9.857 -11.049 4.349 1.00 0.00 H new ATOM 250 N MET A 17 -8.031 -7.261 -1.425 1.00 0.00 N ATOM 251 CA MET A 17 -7.552 -6.053 -2.085 1.00 0.00 C ATOM 252 C MET A 17 -8.708 -5.137 -2.460 1.00 0.00 C ATOM 253 O MET A 17 -8.628 -3.924 -2.281 1.00 0.00 O ATOM 254 CB MET A 17 -6.748 -6.409 -3.338 1.00 0.00 C ATOM 255 CG MET A 17 -5.322 -6.840 -3.045 1.00 0.00 C ATOM 256 SD MET A 17 -4.313 -5.485 -2.411 1.00 0.00 S ATOM 257 CE MET A 17 -2.685 -6.233 -2.417 1.00 0.00 C ATOM 0 H MET A 17 -7.864 -8.120 -1.949 1.00 0.00 H new ATOM 0 HA MET A 17 -6.906 -5.526 -1.383 1.00 0.00 H new ATOM 0 HB2 MET A 17 -7.259 -7.211 -3.871 1.00 0.00 H new ATOM 0 HB3 MET A 17 -6.728 -5.546 -4.004 1.00 0.00 H new ATOM 0 HG2 MET A 17 -5.333 -7.653 -2.319 1.00 0.00 H new ATOM 0 HG3 MET A 17 -4.869 -7.232 -3.956 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.314 -6.305 -1.395 1.00 0.00 H new ATOM 0 HE2 MET A 17 -2.744 -7.230 -2.853 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.005 -5.619 -3.007 1.00 0.00 H new ATOM 267 N GLY A 18 -9.779 -5.727 -2.981 1.00 0.00 N ATOM 268 CA GLY A 18 -10.935 -4.948 -3.381 1.00 0.00 C ATOM 269 C GLY A 18 -11.689 -4.376 -2.204 1.00 0.00 C ATOM 270 O GLY A 18 -11.985 -3.187 -2.175 1.00 0.00 O ATOM 0 H GLY A 18 -9.866 -6.732 -3.133 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.612 -4.134 -4.031 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.606 -5.576 -3.967 1.00 0.00 H new ATOM 274 N LEU A 19 -12.007 -5.222 -1.229 1.00 0.00 N ATOM 275 CA LEU A 19 -12.736 -4.779 -0.048 1.00 0.00 C ATOM 276 C LEU A 19 -11.942 -3.706 0.679 1.00 0.00 C ATOM 277 O LEU A 19 -12.484 -2.668 1.073 1.00 0.00 O ATOM 278 CB LEU A 19 -13.016 -5.969 0.875 1.00 0.00 C ATOM 279 CG LEU A 19 -11.792 -6.574 1.564 1.00 0.00 C ATOM 280 CD1 LEU A 19 -11.465 -5.827 2.849 1.00 0.00 C ATOM 281 CD2 LEU A 19 -12.023 -8.049 1.850 1.00 0.00 C ATOM 0 H LEU A 19 -11.772 -6.215 -1.234 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.691 -4.353 -0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.723 -5.652 1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.506 -6.750 0.293 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.940 -6.477 0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -10.591 -6.277 3.319 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.256 -4.782 2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.314 -5.886 3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.144 -8.467 2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.890 -8.162 2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -12.201 -8.578 0.914 1.00 0.00 H new ATOM 293 N ALA A 20 -10.645 -3.951 0.831 1.00 0.00 N ATOM 294 CA ALA A 20 -9.769 -2.997 1.483 1.00 0.00 C ATOM 295 C ALA A 20 -9.681 -1.738 0.640 1.00 0.00 C ATOM 296 O ALA A 20 -9.662 -0.628 1.164 1.00 0.00 O ATOM 297 CB ALA A 20 -8.387 -3.595 1.698 1.00 0.00 C ATOM 0 H ALA A 20 -10.182 -4.802 0.511 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.179 -2.746 2.461 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.746 -2.863 2.188 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.468 -4.483 2.325 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.955 -3.868 0.735 1.00 0.00 H new ATOM 303 N ALA A 21 -9.647 -1.929 -0.677 1.00 0.00 N ATOM 304 CA ALA A 21 -9.580 -0.813 -1.612 1.00 0.00 C ATOM 305 C ALA A 21 -10.804 0.067 -1.477 1.00 0.00 C ATOM 306 O ALA A 21 -10.703 1.290 -1.429 1.00 0.00 O ATOM 307 CB ALA A 21 -9.445 -1.314 -3.041 1.00 0.00 C ATOM 0 H ALA A 21 -9.665 -2.848 -1.119 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.697 -0.221 -1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.397 -0.464 -3.722 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.534 -1.906 -3.135 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.307 -1.932 -3.293 1.00 0.00 H new ATOM 313 N ILE A 22 -11.958 -0.570 -1.406 1.00 0.00 N ATOM 314 CA ILE A 22 -13.214 0.148 -1.265 1.00 0.00 C ATOM 315 C ILE A 22 -13.213 0.962 0.022 1.00 0.00 C ATOM 316 O ILE A 22 -13.295 2.186 -0.013 1.00 0.00 O ATOM 317 CB ILE A 22 -14.426 -0.802 -1.273 1.00 0.00 C ATOM 318 CG1 ILE A 22 -14.437 -1.638 -2.552 1.00 0.00 C ATOM 319 CG2 ILE A 22 -15.725 -0.018 -1.140 1.00 0.00 C ATOM 320 CD1 ILE A 22 -14.511 -0.811 -3.816 1.00 0.00 C ATOM 0 H ILE A 22 -12.053 -1.585 -1.444 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.304 0.814 -2.123 1.00 0.00 H new ATOM 0 HB ILE A 22 -14.342 -1.473 -0.418 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -13.537 -2.252 -2.582 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -15.287 -2.319 -2.523 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -16.569 -0.708 -1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.720 0.538 -0.203 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -15.817 0.677 -1.974 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -14.515 -1.471 -4.683 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -15.424 -0.216 -3.809 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.647 -0.148 -3.868 1.00 0.00 H new ATOM 332 N GLY A 23 -13.099 0.278 1.158 1.00 0.00 N ATOM 333 CA GLY A 23 -13.074 0.974 2.434 1.00 0.00 C ATOM 334 C GLY A 23 -11.991 2.037 2.479 1.00 0.00 C ATOM 335 O GLY A 23 -12.257 3.205 2.785 1.00 0.00 O ATOM 0 H GLY A 23 -13.024 -0.737 1.218 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -14.044 1.437 2.614 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.910 0.255 3.236 1.00 0.00 H new ATOM 339 N ALA A 24 -10.765 1.629 2.161 1.00 0.00 N ATOM 340 CA ALA A 24 -9.631 2.542 2.149 1.00 0.00 C ATOM 341 C ALA A 24 -9.894 3.713 1.216 1.00 0.00 C ATOM 342 O ALA A 24 -9.573 4.855 1.534 1.00 0.00 O ATOM 343 CB ALA A 24 -8.367 1.812 1.724 1.00 0.00 C ATOM 0 H ALA A 24 -10.534 0.668 1.908 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.493 2.927 3.160 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.528 2.508 1.720 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.162 1.001 2.423 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.503 1.402 0.723 1.00 0.00 H new ATOM 349 N ALA A 25 -10.476 3.413 0.059 1.00 0.00 N ATOM 350 CA ALA A 25 -10.785 4.436 -0.930 1.00 0.00 C ATOM 351 C ALA A 25 -11.773 5.450 -0.366 1.00 0.00 C ATOM 352 O ALA A 25 -11.603 6.659 -0.530 1.00 0.00 O ATOM 353 CB ALA A 25 -11.346 3.799 -2.190 1.00 0.00 C ATOM 0 H ALA A 25 -10.743 2.468 -0.216 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.862 4.959 -1.182 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.572 4.576 -2.921 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.611 3.111 -2.608 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.257 3.253 -1.947 1.00 0.00 H new ATOM 359 N ILE A 26 -12.800 4.953 0.308 1.00 0.00 N ATOM 360 CA ILE A 26 -13.800 5.824 0.899 1.00 0.00 C ATOM 361 C ILE A 26 -13.161 6.778 1.901 1.00 0.00 C ATOM 362 O ILE A 26 -13.305 7.992 1.784 1.00 0.00 O ATOM 363 CB ILE A 26 -14.912 5.024 1.602 1.00 0.00 C ATOM 364 CG1 ILE A 26 -15.550 4.034 0.631 1.00 0.00 C ATOM 365 CG2 ILE A 26 -15.970 5.963 2.165 1.00 0.00 C ATOM 366 CD1 ILE A 26 -16.563 3.117 1.280 1.00 0.00 C ATOM 0 H ILE A 26 -12.961 3.957 0.458 1.00 0.00 H new ATOM 0 HA ILE A 26 -14.245 6.393 0.083 1.00 0.00 H new ATOM 0 HB ILE A 26 -14.466 4.468 2.427 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -16.036 4.588 -0.172 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -14.766 3.430 0.174 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -16.748 5.380 2.658 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -15.510 6.639 2.886 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -16.410 6.543 1.354 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -16.975 2.441 0.530 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -16.078 2.536 2.065 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -17.367 3.712 1.713 1.00 0.00 H new ATOM 378 N GLY A 27 -12.456 6.227 2.890 1.00 0.00 N ATOM 379 CA GLY A 27 -11.823 7.072 3.895 1.00 0.00 C ATOM 380 C GLY A 27 -10.740 7.962 3.323 1.00 0.00 C ATOM 381 O GLY A 27 -10.744 9.170 3.559 1.00 0.00 O ATOM 0 H GLY A 27 -12.313 5.225 3.013 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.582 7.693 4.370 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.394 6.442 4.674 1.00 0.00 H new ATOM 385 N ILE A 28 -9.806 7.387 2.561 1.00 0.00 N ATOM 386 CA ILE A 28 -8.745 8.189 1.969 1.00 0.00 C ATOM 387 C ILE A 28 -9.362 9.394 1.295 1.00 0.00 C ATOM 388 O ILE A 28 -8.949 10.524 1.508 1.00 0.00 O ATOM 389 CB ILE A 28 -7.894 7.398 0.959 1.00 0.00 C ATOM 390 CG1 ILE A 28 -8.751 6.799 -0.149 1.00 0.00 C ATOM 391 CG2 ILE A 28 -7.093 6.317 1.662 1.00 0.00 C ATOM 392 CD1 ILE A 28 -8.974 7.734 -1.319 1.00 0.00 C ATOM 0 H ILE A 28 -9.766 6.391 2.346 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.073 8.497 2.769 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.199 8.098 0.495 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -8.277 5.886 -0.510 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.718 6.513 0.266 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.499 5.770 0.930 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.431 6.775 2.397 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -7.773 5.629 2.164 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.592 7.239 -2.068 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -9.477 8.637 -0.973 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -8.013 8.000 -1.760 1.00 0.00 H new ATOM 404 N GLY A 29 -10.404 9.138 0.531 1.00 0.00 N ATOM 405 CA GLY A 29 -11.118 10.217 -0.118 1.00 0.00 C ATOM 406 C GLY A 29 -11.687 11.176 0.912 1.00 0.00 C ATOM 407 O GLY A 29 -11.664 12.392 0.723 1.00 0.00 O ATOM 0 H GLY A 29 -10.771 8.205 0.346 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.447 10.752 -0.790 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.924 9.811 -0.729 1.00 0.00 H new ATOM 411 N ILE A 30 -12.189 10.616 2.018 1.00 0.00 N ATOM 412 CA ILE A 30 -12.758 11.414 3.102 1.00 0.00 C ATOM 413 C ILE A 30 -11.733 12.411 3.648 1.00 0.00 C ATOM 414 O ILE A 30 -11.838 13.615 3.407 1.00 0.00 O ATOM 415 CB ILE A 30 -13.283 10.512 4.259 1.00 0.00 C ATOM 416 CG1 ILE A 30 -14.477 9.687 3.784 1.00 0.00 C ATOM 417 CG2 ILE A 30 -13.685 11.351 5.468 1.00 0.00 C ATOM 418 CD1 ILE A 30 -14.974 8.698 4.817 1.00 0.00 C ATOM 0 H ILE A 30 -12.211 9.610 2.183 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.600 11.966 2.685 1.00 0.00 H new ATOM 0 HB ILE A 30 -12.476 9.842 4.556 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -15.291 10.361 3.516 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -14.199 9.147 2.879 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -14.048 10.697 6.261 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -12.821 11.910 5.826 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -14.474 12.046 5.182 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -15.823 8.146 4.413 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -14.174 8.001 5.068 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -15.283 9.234 5.714 1.00 0.00 H new ATOM 430 N LEU A 31 -10.749 11.903 4.385 1.00 0.00 N ATOM 431 CA LEU A 31 -9.709 12.749 4.975 1.00 0.00 C ATOM 432 C LEU A 31 -8.735 13.237 3.912 1.00 0.00 C ATOM 433 O LEU A 31 -8.304 14.391 3.930 1.00 0.00 O ATOM 434 CB LEU A 31 -8.950 11.973 6.057 1.00 0.00 C ATOM 435 CG LEU A 31 -7.842 12.757 6.768 1.00 0.00 C ATOM 436 CD1 LEU A 31 -8.419 13.963 7.494 1.00 0.00 C ATOM 437 CD2 LEU A 31 -7.095 11.859 7.741 1.00 0.00 C ATOM 0 H LEU A 31 -10.648 10.909 4.590 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.192 13.617 5.424 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.666 11.629 6.804 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.510 11.085 5.603 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.138 13.114 6.016 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.616 14.506 7.992 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.910 14.620 6.776 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.145 13.629 8.235 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.312 12.432 8.237 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.790 11.473 8.487 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.647 11.027 7.198 1.00 0.00 H new ATOM 449 N GLY A 32 -8.389 12.355 2.985 1.00 0.00 N ATOM 450 CA GLY A 32 -7.471 12.723 1.925 1.00 0.00 C ATOM 451 C GLY A 32 -8.000 13.879 1.109 1.00 0.00 C ATOM 452 O GLY A 32 -7.247 14.771 0.730 1.00 0.00 O ATOM 0 H GLY A 32 -8.726 11.393 2.947 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.506 12.992 2.355 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.302 11.865 1.275 1.00 0.00 H new ATOM 456 N GLY A 33 -9.304 13.872 0.850 1.00 0.00 N ATOM 457 CA GLY A 33 -9.910 14.943 0.084 1.00 0.00 C ATOM 458 C GLY A 33 -9.826 16.271 0.804 1.00 0.00 C ATOM 459 O GLY A 33 -9.386 17.265 0.233 1.00 0.00 O ATOM 0 H GLY A 33 -9.950 13.145 1.157 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.414 15.023 -0.883 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.955 14.702 -0.112 1.00 0.00 H new ATOM 463 N LYS A 34 -10.240 16.286 2.067 1.00 0.00 N ATOM 464 CA LYS A 34 -10.199 17.502 2.869 1.00 0.00 C ATOM 465 C LYS A 34 -8.763 18.009 3.007 1.00 0.00 C ATOM 466 O LYS A 34 -8.465 19.175 2.719 1.00 0.00 O ATOM 467 CB LYS A 34 -10.815 17.245 4.251 1.00 0.00 C ATOM 468 CG LYS A 34 -10.170 16.108 5.021 1.00 0.00 C ATOM 469 CD LYS A 34 -10.904 15.816 6.328 1.00 0.00 C ATOM 470 CE LYS A 34 -10.752 16.944 7.340 1.00 0.00 C ATOM 471 NZ LYS A 34 -11.491 18.170 6.931 1.00 0.00 N ATOM 0 H LYS A 34 -10.607 15.470 2.556 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.784 18.271 2.364 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.742 18.157 4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.876 17.029 4.128 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.160 15.211 4.402 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.131 16.359 5.236 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.962 15.657 6.120 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.521 14.891 6.758 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.116 16.610 8.312 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.695 17.182 7.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.983 18.570 7.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.820 18.870 6.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.187 17.927 6.197 1.00 0.00 H new ATOM 485 N PHE A 35 -7.875 17.121 3.439 1.00 0.00 N ATOM 486 CA PHE A 35 -6.470 17.465 3.617 1.00 0.00 C ATOM 487 C PHE A 35 -5.873 17.907 2.293 1.00 0.00 C ATOM 488 O PHE A 35 -5.279 18.982 2.183 1.00 0.00 O ATOM 489 CB PHE A 35 -5.700 16.259 4.152 1.00 0.00 C ATOM 490 CG PHE A 35 -4.341 16.610 4.679 1.00 0.00 C ATOM 491 CD1 PHE A 35 -4.206 17.470 5.755 1.00 0.00 C ATOM 492 CD2 PHE A 35 -3.202 16.097 4.089 1.00 0.00 C ATOM 493 CE1 PHE A 35 -2.957 17.810 6.232 1.00 0.00 C ATOM 494 CE2 PHE A 35 -1.951 16.432 4.563 1.00 0.00 C ATOM 495 CZ PHE A 35 -1.828 17.291 5.633 1.00 0.00 C ATOM 0 H PHE A 35 -8.104 16.155 3.673 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.396 18.283 4.334 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -6.280 15.789 4.946 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -5.594 15.522 3.356 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -5.088 17.879 6.226 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -3.292 15.426 3.247 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.863 18.481 7.073 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -1.068 16.021 4.096 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.849 17.558 6.002 1.00 0.00 H new ATOM 505 N LEU A 36 -6.046 17.060 1.289 1.00 0.00 N ATOM 506 CA LEU A 36 -5.544 17.345 -0.048 1.00 0.00 C ATOM 507 C LEU A 36 -6.149 18.639 -0.570 1.00 0.00 C ATOM 508 O LEU A 36 -5.486 19.409 -1.259 1.00 0.00 O ATOM 509 CB LEU A 36 -5.873 16.194 -1.004 1.00 0.00 C ATOM 510 CG LEU A 36 -5.386 16.375 -2.444 1.00 0.00 C ATOM 511 CD1 LEU A 36 -3.883 16.609 -2.484 1.00 0.00 C ATOM 512 CD2 LEU A 36 -5.756 15.161 -3.281 1.00 0.00 C ATOM 0 H LEU A 36 -6.532 16.167 1.375 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.461 17.454 0.008 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.439 15.277 -0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.954 16.055 -1.019 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.877 17.253 -2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.562 16.735 -3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.639 17.507 -1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.370 15.753 -2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.404 15.303 -4.303 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.291 14.271 -2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.839 15.038 -3.284 1.00 0.00 H new ATOM 524 N GLU A 37 -7.413 18.878 -0.227 1.00 0.00 N ATOM 525 CA GLU A 37 -8.103 20.089 -0.656 1.00 0.00 C ATOM 526 C GLU A 37 -7.347 21.323 -0.180 1.00 0.00 C ATOM 527 O GLU A 37 -6.924 22.152 -0.986 1.00 0.00 O ATOM 528 CB GLU A 37 -9.537 20.114 -0.118 1.00 0.00 C ATOM 529 CG GLU A 37 -10.332 21.331 -0.561 1.00 0.00 C ATOM 530 CD GLU A 37 -10.542 21.382 -2.062 1.00 0.00 C ATOM 531 OE1 GLU A 37 -9.537 21.435 -2.803 1.00 0.00 O ATOM 532 OE2 GLU A 37 -11.712 21.368 -2.499 1.00 0.00 O ATOM 0 H GLU A 37 -7.978 18.250 0.345 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.141 20.094 -1.745 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.055 19.213 -0.446 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.508 20.086 0.971 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.302 21.327 -0.063 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.813 22.234 -0.241 1.00 0.00 H new ATOM 539 N GLY A 38 -7.167 21.432 1.136 1.00 0.00 N ATOM 540 CA GLY A 38 -6.446 22.568 1.692 1.00 0.00 C ATOM 541 C GLY A 38 -5.048 22.701 1.107 1.00 0.00 C ATOM 542 O GLY A 38 -4.673 23.747 0.552 1.00 0.00 O ATOM 0 H GLY A 38 -7.505 20.759 1.824 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.007 23.482 1.500 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.377 22.458 2.774 1.00 0.00 H new ATOM 546 N ALA A 39 -4.271 21.633 1.234 1.00 0.00 N ATOM 547 CA ALA A 39 -2.908 21.616 0.724 1.00 0.00 C ATOM 548 C ALA A 39 -2.878 21.789 -0.791 1.00 0.00 C ATOM 549 O ALA A 39 -1.836 22.100 -1.367 1.00 0.00 O ATOM 550 CB ALA A 39 -2.221 20.327 1.129 1.00 0.00 C ATOM 0 H ALA A 39 -4.563 20.767 1.687 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.370 22.458 1.160 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.201 20.322 0.744 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.198 20.253 2.216 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.768 19.478 0.719 1.00 0.00 H new ATOM 556 N ALA A 40 -4.020 21.595 -1.439 1.00 0.00 N ATOM 557 CA ALA A 40 -4.101 21.750 -2.883 1.00 0.00 C ATOM 558 C ALA A 40 -4.600 23.140 -3.251 1.00 0.00 C ATOM 559 O ALA A 40 -4.312 23.642 -4.337 1.00 0.00 O ATOM 560 CB ALA A 40 -4.976 20.668 -3.485 1.00 0.00 C ATOM 0 H ALA A 40 -4.897 21.332 -0.989 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.100 21.640 -3.300 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.025 20.799 -4.566 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.553 19.690 -3.257 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.980 20.736 -3.065 1.00 0.00 H new ATOM 566 N ARG A 41 -5.315 23.779 -2.328 1.00 0.00 N ATOM 567 CA ARG A 41 -5.801 25.127 -2.560 1.00 0.00 C ATOM 568 C ARG A 41 -4.723 26.127 -2.158 1.00 0.00 C ATOM 569 O ARG A 41 -4.784 27.300 -2.525 1.00 0.00 O ATOM 570 CB ARG A 41 -7.087 25.385 -1.778 1.00 0.00 C ATOM 571 CG ARG A 41 -6.928 25.226 -0.281 1.00 0.00 C ATOM 572 CD ARG A 41 -8.226 25.512 0.451 1.00 0.00 C ATOM 573 NE ARG A 41 -8.723 26.858 0.180 1.00 0.00 N ATOM 574 CZ ARG A 41 -9.846 27.349 0.695 1.00 0.00 C ATOM 575 NH1 ARG A 41 -10.582 26.615 1.518 1.00 0.00 N ATOM 576 NH2 ARG A 41 -10.234 28.579 0.391 1.00 0.00 N ATOM 0 H ARG A 41 -5.566 23.385 -1.421 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.027 25.244 -3.620 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -7.436 26.395 -1.993 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.859 24.699 -2.128 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.598 24.212 -0.055 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.151 25.902 0.077 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.978 24.781 0.154 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.071 25.392 1.523 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.177 27.456 -0.440 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.287 25.669 1.759 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.443 26.997 1.910 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.671 29.150 -0.239 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.096 28.954 0.787 1.00 0.00 H new ATOM 590 N GLN A 42 -3.728 25.640 -1.409 1.00 0.00 N ATOM 591 CA GLN A 42 -2.611 26.460 -0.968 1.00 0.00 C ATOM 592 C GLN A 42 -1.412 26.278 -1.908 1.00 0.00 C ATOM 593 O GLN A 42 -0.610 25.360 -1.736 1.00 0.00 O ATOM 594 CB GLN A 42 -2.224 26.069 0.453 1.00 0.00 C ATOM 595 CG GLN A 42 -3.284 26.409 1.487 1.00 0.00 C ATOM 596 CD GLN A 42 -2.860 26.051 2.898 1.00 0.00 C ATOM 597 OE1 GLN A 42 -1.866 26.564 3.410 1.00 0.00 O ATOM 598 NE2 GLN A 42 -3.618 25.166 3.537 1.00 0.00 N ATOM 0 H GLN A 42 -3.680 24.670 -1.096 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.909 27.508 -0.987 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.027 24.997 0.485 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.294 26.572 0.719 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.505 27.475 1.438 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.206 25.881 1.244 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.434 24.765 3.075 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.384 24.888 4.490 1.00 0.00 H new ATOM 607 N PRO A 43 -1.283 27.154 -2.922 1.00 0.00 N ATOM 608 CA PRO A 43 -0.196 27.105 -3.909 1.00 0.00 C ATOM 609 C PRO A 43 1.172 26.710 -3.338 1.00 0.00 C ATOM 610 O PRO A 43 2.027 26.219 -4.069 1.00 0.00 O ATOM 611 CB PRO A 43 -0.150 28.541 -4.420 1.00 0.00 C ATOM 612 CG PRO A 43 -1.558 29.022 -4.334 1.00 0.00 C ATOM 613 CD PRO A 43 -2.207 28.274 -3.196 1.00 0.00 C ATOM 0 HA PRO A 43 -0.389 26.342 -4.663 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.515 29.155 -3.814 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.221 28.585 -5.444 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -1.589 30.097 -4.157 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -2.087 28.838 -5.269 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.331 28.911 -2.320 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.198 27.914 -3.471 1.00 0.00 H new ATOM 621 N ASP A 44 1.392 26.947 -2.051 1.00 0.00 N ATOM 622 CA ASP A 44 2.682 26.626 -1.436 1.00 0.00 C ATOM 623 C ASP A 44 2.766 25.167 -0.973 1.00 0.00 C ATOM 624 O ASP A 44 3.770 24.757 -0.391 1.00 0.00 O ATOM 625 CB ASP A 44 2.950 27.571 -0.263 1.00 0.00 C ATOM 626 CG ASP A 44 1.828 27.568 0.754 1.00 0.00 C ATOM 627 OD1 ASP A 44 0.677 27.857 0.366 1.00 0.00 O ATOM 628 OD2 ASP A 44 2.101 27.282 1.938 1.00 0.00 O ATOM 0 H ASP A 44 0.706 27.355 -1.416 1.00 0.00 H new ATOM 0 HA ASP A 44 3.448 26.761 -2.200 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.880 27.282 0.226 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.090 28.584 -0.641 1.00 0.00 H new ATOM 633 N LEU A 45 1.718 24.385 -1.231 1.00 0.00 N ATOM 634 CA LEU A 45 1.692 22.977 -0.832 1.00 0.00 C ATOM 635 C LEU A 45 1.632 22.039 -2.043 1.00 0.00 C ATOM 636 O LEU A 45 1.271 20.866 -1.913 1.00 0.00 O ATOM 637 CB LEU A 45 0.509 22.729 0.104 1.00 0.00 C ATOM 638 CG LEU A 45 0.648 23.353 1.496 1.00 0.00 C ATOM 639 CD1 LEU A 45 1.889 22.828 2.199 1.00 0.00 C ATOM 640 CD2 LEU A 45 0.705 24.867 1.394 1.00 0.00 C ATOM 0 H LEU A 45 0.877 24.701 -1.714 1.00 0.00 H new ATOM 0 HA LEU A 45 2.621 22.758 -0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.395 23.119 -0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.372 21.653 0.216 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.226 23.073 2.084 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.969 23.284 3.186 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.817 21.745 2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.773 23.077 1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.804 25.295 2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.562 25.159 0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.210 25.235 0.930 1.00 0.00 H new ATOM 652 N ILE A 46 1.997 22.541 -3.224 1.00 0.00 N ATOM 653 CA ILE A 46 1.979 21.705 -4.423 1.00 0.00 C ATOM 654 C ILE A 46 2.763 20.422 -4.191 1.00 0.00 C ATOM 655 O ILE A 46 2.305 19.341 -4.537 1.00 0.00 O ATOM 656 CB ILE A 46 2.571 22.405 -5.654 1.00 0.00 C ATOM 657 CG1 ILE A 46 1.991 23.806 -5.810 1.00 0.00 C ATOM 658 CG2 ILE A 46 2.300 21.579 -6.904 1.00 0.00 C ATOM 659 CD1 ILE A 46 2.547 24.555 -6.998 1.00 0.00 C ATOM 0 H ILE A 46 2.303 23.502 -3.374 1.00 0.00 H new ATOM 0 HA ILE A 46 0.928 21.493 -4.619 1.00 0.00 H new ATOM 0 HB ILE A 46 3.648 22.496 -5.516 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.908 23.734 -5.909 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.191 24.377 -4.903 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.724 22.083 -7.772 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.758 20.596 -6.797 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.224 21.466 -7.039 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.092 25.544 -7.050 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.627 24.658 -6.891 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.324 24.005 -7.912 1.00 0.00 H new ATOM 671 N PRO A 47 3.967 20.512 -3.603 1.00 0.00 N ATOM 672 CA PRO A 47 4.776 19.330 -3.337 1.00 0.00 C ATOM 673 C PRO A 47 4.122 18.466 -2.274 1.00 0.00 C ATOM 674 O PRO A 47 4.367 17.259 -2.196 1.00 0.00 O ATOM 675 CB PRO A 47 6.117 19.886 -2.844 1.00 0.00 C ATOM 676 CG PRO A 47 6.085 21.347 -3.156 1.00 0.00 C ATOM 677 CD PRO A 47 4.634 21.742 -3.152 1.00 0.00 C ATOM 0 HA PRO A 47 4.893 18.696 -4.216 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.242 19.716 -1.775 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.952 19.396 -3.345 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.646 21.916 -2.415 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.541 21.549 -4.125 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.299 22.045 -2.160 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.439 22.578 -3.823 1.00 0.00 H new ATOM 685 N LEU A 48 3.265 19.095 -1.473 1.00 0.00 N ATOM 686 CA LEU A 48 2.537 18.387 -0.440 1.00 0.00 C ATOM 687 C LEU A 48 1.544 17.468 -1.127 1.00 0.00 C ATOM 688 O LEU A 48 1.321 16.337 -0.703 1.00 0.00 O ATOM 689 CB LEU A 48 1.814 19.374 0.487 1.00 0.00 C ATOM 690 CG LEU A 48 1.205 18.750 1.744 1.00 0.00 C ATOM 691 CD1 LEU A 48 2.266 18.003 2.540 1.00 0.00 C ATOM 692 CD2 LEU A 48 0.549 19.820 2.605 1.00 0.00 C ATOM 0 H LEU A 48 3.062 20.093 -1.525 1.00 0.00 H new ATOM 0 HA LEU A 48 3.223 17.808 0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.519 20.149 0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.022 19.866 -0.077 1.00 0.00 H new ATOM 0 HG LEU A 48 0.441 18.036 1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.813 17.566 3.430 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.692 17.211 1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.053 18.696 2.836 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.121 19.359 3.495 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.296 20.557 2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.240 20.312 2.036 1.00 0.00 H new ATOM 704 N LEU A 49 0.987 17.978 -2.227 1.00 0.00 N ATOM 705 CA LEU A 49 0.034 17.241 -3.050 1.00 0.00 C ATOM 706 C LEU A 49 0.507 15.816 -3.304 1.00 0.00 C ATOM 707 O LEU A 49 -0.123 14.848 -2.875 1.00 0.00 O ATOM 708 CB LEU A 49 -0.142 17.960 -4.392 1.00 0.00 C ATOM 709 CG LEU A 49 -0.747 19.362 -4.313 1.00 0.00 C ATOM 710 CD1 LEU A 49 -0.978 19.928 -5.711 1.00 0.00 C ATOM 711 CD2 LEU A 49 -2.046 19.336 -3.523 1.00 0.00 C ATOM 0 H LEU A 49 1.187 18.917 -2.571 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.915 17.198 -2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.832 18.030 -4.877 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.774 17.346 -5.033 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.042 20.013 -3.795 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.409 20.926 -5.633 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.028 19.984 -6.243 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.662 19.279 -6.258 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.464 20.342 -3.476 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.757 18.670 -4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.850 18.977 -2.513 1.00 0.00 H new ATOM 723 N ARG A 50 1.610 15.701 -4.027 1.00 0.00 N ATOM 724 CA ARG A 50 2.175 14.414 -4.372 1.00 0.00 C ATOM 725 C ARG A 50 2.698 13.699 -3.132 1.00 0.00 C ATOM 726 O ARG A 50 2.515 12.490 -2.972 1.00 0.00 O ATOM 727 CB ARG A 50 3.307 14.617 -5.371 1.00 0.00 C ATOM 728 CG ARG A 50 4.423 15.503 -4.840 1.00 0.00 C ATOM 729 CD ARG A 50 5.503 15.736 -5.881 1.00 0.00 C ATOM 730 NE ARG A 50 6.599 16.544 -5.349 1.00 0.00 N ATOM 731 CZ ARG A 50 7.667 16.904 -6.056 1.00 0.00 C ATOM 732 NH1 ARG A 50 7.784 16.540 -7.326 1.00 0.00 N ATOM 733 NH2 ARG A 50 8.621 17.632 -5.491 1.00 0.00 N ATOM 0 H ARG A 50 2.135 16.497 -4.389 1.00 0.00 H new ATOM 0 HA ARG A 50 1.396 13.794 -4.816 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.721 13.646 -5.643 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.904 15.059 -6.282 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.008 16.461 -4.526 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.864 15.042 -3.956 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.891 14.777 -6.224 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.071 16.234 -6.749 1.00 0.00 H new ATOM 0 HE ARG A 50 6.541 16.850 -4.378 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.053 15.981 -7.766 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.605 16.819 -7.863 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.536 17.916 -4.515 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.440 17.908 -6.033 1.00 0.00 H new ATOM 747 N THR A 51 3.359 14.455 -2.263 1.00 0.00 N ATOM 748 CA THR A 51 3.928 13.897 -1.042 1.00 0.00 C ATOM 749 C THR A 51 2.858 13.245 -0.176 1.00 0.00 C ATOM 750 O THR A 51 3.089 12.198 0.422 1.00 0.00 O ATOM 751 CB THR A 51 4.640 14.990 -0.249 1.00 0.00 C ATOM 752 OG1 THR A 51 5.608 15.633 -1.053 1.00 0.00 O ATOM 753 CG2 THR A 51 5.340 14.479 0.991 1.00 0.00 C ATOM 0 H THR A 51 3.514 15.456 -2.381 1.00 0.00 H new ATOM 0 HA THR A 51 4.646 13.129 -1.329 1.00 0.00 H new ATOM 0 HB THR A 51 3.855 15.680 0.061 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.288 16.526 -1.300 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.824 15.310 1.504 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.611 14.017 1.656 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.091 13.741 0.707 1.00 0.00 H new ATOM 761 N GLN A 52 1.689 13.871 -0.104 1.00 0.00 N ATOM 762 CA GLN A 52 0.595 13.341 0.702 1.00 0.00 C ATOM 763 C GLN A 52 -0.159 12.274 -0.073 1.00 0.00 C ATOM 764 O GLN A 52 -0.677 11.323 0.501 1.00 0.00 O ATOM 765 CB GLN A 52 -0.370 14.454 1.113 1.00 0.00 C ATOM 766 CG GLN A 52 -1.190 15.010 -0.042 1.00 0.00 C ATOM 767 CD GLN A 52 -2.114 16.127 0.389 1.00 0.00 C ATOM 768 OE1 GLN A 52 -3.058 15.908 1.147 1.00 0.00 O ATOM 769 NE2 GLN A 52 -1.840 17.333 -0.085 1.00 0.00 N ATOM 0 H GLN A 52 1.475 14.741 -0.591 1.00 0.00 H new ATOM 0 HA GLN A 52 1.023 12.900 1.602 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.047 14.072 1.877 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.198 15.266 1.568 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.517 15.378 -0.817 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.778 14.207 -0.485 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.046 17.467 -0.711 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.423 18.128 0.176 1.00 0.00 H new ATOM 778 N PHE A 53 -0.218 12.440 -1.387 1.00 0.00 N ATOM 779 CA PHE A 53 -0.916 11.487 -2.237 1.00 0.00 C ATOM 780 C PHE A 53 -0.314 10.094 -2.090 1.00 0.00 C ATOM 781 O PHE A 53 -1.031 9.125 -1.842 1.00 0.00 O ATOM 782 CB PHE A 53 -0.855 11.927 -3.708 1.00 0.00 C ATOM 783 CG PHE A 53 -1.546 10.978 -4.651 1.00 0.00 C ATOM 784 CD1 PHE A 53 -2.905 10.736 -4.537 1.00 0.00 C ATOM 785 CD2 PHE A 53 -0.835 10.322 -5.644 1.00 0.00 C ATOM 786 CE1 PHE A 53 -3.542 9.858 -5.394 1.00 0.00 C ATOM 787 CE2 PHE A 53 -1.468 9.445 -6.504 1.00 0.00 C ATOM 788 CZ PHE A 53 -2.823 9.212 -6.378 1.00 0.00 C ATOM 0 H PHE A 53 0.207 13.222 -1.885 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.959 11.456 -1.921 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.308 12.914 -3.802 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.189 12.026 -4.006 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.474 11.239 -3.769 1.00 0.00 H new ATOM 0 HD2 PHE A 53 0.226 10.498 -5.747 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.602 9.678 -5.293 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.903 8.942 -7.275 1.00 0.00 H new ATOM 0 HZ PHE A 53 -3.319 8.526 -7.048 1.00 0.00 H new ATOM 798 N PHE A 54 1.004 9.995 -2.256 1.00 0.00 N ATOM 799 CA PHE A 54 1.679 8.705 -2.163 1.00 0.00 C ATOM 800 C PHE A 54 1.780 8.227 -0.705 1.00 0.00 C ATOM 801 O PHE A 54 1.690 7.028 -0.440 1.00 0.00 O ATOM 802 CB PHE A 54 3.053 8.767 -2.860 1.00 0.00 C ATOM 803 CG PHE A 54 4.207 9.168 -1.988 1.00 0.00 C ATOM 804 CD1 PHE A 54 4.166 10.328 -1.246 1.00 0.00 C ATOM 805 CD2 PHE A 54 5.337 8.372 -1.922 1.00 0.00 C ATOM 806 CE1 PHE A 54 5.230 10.687 -0.448 1.00 0.00 C ATOM 807 CE2 PHE A 54 6.402 8.728 -1.126 1.00 0.00 C ATOM 808 CZ PHE A 54 6.347 9.886 -0.387 1.00 0.00 C ATOM 0 H PHE A 54 1.619 10.785 -2.453 1.00 0.00 H new ATOM 0 HA PHE A 54 1.080 7.961 -2.687 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.268 7.788 -3.288 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.987 9.470 -3.690 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.292 10.961 -1.290 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.384 7.462 -2.501 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.187 11.598 0.130 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.279 8.099 -1.082 1.00 0.00 H new ATOM 0 HZ PHE A 54 7.180 10.167 0.241 1.00 0.00 H new ATOM 818 N ILE A 55 1.929 9.161 0.242 1.00 0.00 N ATOM 819 CA ILE A 55 1.992 8.796 1.666 1.00 0.00 C ATOM 820 C ILE A 55 0.631 8.311 2.141 1.00 0.00 C ATOM 821 O ILE A 55 0.500 7.227 2.700 1.00 0.00 O ATOM 822 CB ILE A 55 2.418 9.981 2.577 1.00 0.00 C ATOM 823 CG1 ILE A 55 3.862 10.393 2.306 1.00 0.00 C ATOM 824 CG2 ILE A 55 2.240 9.629 4.055 1.00 0.00 C ATOM 825 CD1 ILE A 55 4.888 9.387 2.784 1.00 0.00 C ATOM 0 H ILE A 55 2.007 10.161 0.055 1.00 0.00 H new ATOM 0 HA ILE A 55 2.745 8.012 1.745 1.00 0.00 H new ATOM 0 HB ILE A 55 1.769 10.824 2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.990 10.547 1.235 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.053 11.350 2.791 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.545 10.476 4.670 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.193 9.398 4.250 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.855 8.763 4.299 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.889 9.752 2.555 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.789 9.250 3.861 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.725 8.434 2.281 1.00 0.00 H new ATOM 837 N VAL A 56 -0.375 9.147 1.930 1.00 0.00 N ATOM 838 CA VAL A 56 -1.733 8.843 2.351 1.00 0.00 C ATOM 839 C VAL A 56 -2.306 7.635 1.615 1.00 0.00 C ATOM 840 O VAL A 56 -3.037 6.841 2.196 1.00 0.00 O ATOM 841 CB VAL A 56 -2.663 10.057 2.148 1.00 0.00 C ATOM 842 CG1 VAL A 56 -4.077 9.740 2.614 1.00 0.00 C ATOM 843 CG2 VAL A 56 -2.110 11.275 2.877 1.00 0.00 C ATOM 0 H VAL A 56 -0.273 10.049 1.465 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.681 8.603 3.413 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.706 10.284 1.083 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.714 10.611 2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.469 8.899 2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.062 9.483 3.673 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.777 12.124 2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.036 11.058 3.943 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.121 11.515 2.486 1.00 0.00 H new ATOM 853 N MET A 57 -1.984 7.488 0.340 1.00 0.00 N ATOM 854 CA MET A 57 -2.482 6.362 -0.425 1.00 0.00 C ATOM 855 C MET A 57 -1.623 5.128 -0.176 1.00 0.00 C ATOM 856 O MET A 57 -2.100 3.995 -0.252 1.00 0.00 O ATOM 857 CB MET A 57 -2.491 6.707 -1.910 1.00 0.00 C ATOM 858 CG MET A 57 -3.456 7.823 -2.276 1.00 0.00 C ATOM 859 SD MET A 57 -5.168 7.426 -1.875 1.00 0.00 S ATOM 860 CE MET A 57 -6.007 8.866 -2.533 1.00 0.00 C ATOM 0 H MET A 57 -1.386 8.129 -0.181 1.00 0.00 H new ATOM 0 HA MET A 57 -3.501 6.143 -0.105 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.484 6.996 -2.212 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.750 5.814 -2.479 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.167 8.734 -1.752 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.376 8.031 -3.343 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.583 9.345 -1.741 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.271 9.569 -2.923 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.678 8.561 -3.336 1.00 0.00 H new ATOM 870 N GLY A 58 -0.352 5.361 0.117 1.00 0.00 N ATOM 871 CA GLY A 58 0.570 4.270 0.359 1.00 0.00 C ATOM 872 C GLY A 58 0.492 3.699 1.762 1.00 0.00 C ATOM 873 O GLY A 58 0.621 2.488 1.938 1.00 0.00 O ATOM 0 H GLY A 58 0.059 6.291 0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.371 3.474 -0.358 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.586 4.619 0.175 1.00 0.00 H new ATOM 877 N LEU A 59 0.291 4.550 2.771 1.00 0.00 N ATOM 878 CA LEU A 59 0.213 4.067 4.143 1.00 0.00 C ATOM 879 C LEU A 59 -1.092 3.301 4.352 1.00 0.00 C ATOM 880 O LEU A 59 -1.198 2.458 5.243 1.00 0.00 O ATOM 881 CB LEU A 59 0.368 5.227 5.147 1.00 0.00 C ATOM 882 CG LEU A 59 -0.899 5.977 5.560 1.00 0.00 C ATOM 883 CD1 LEU A 59 -1.673 6.428 4.350 1.00 0.00 C ATOM 884 CD2 LEU A 59 -1.764 5.130 6.487 1.00 0.00 C ATOM 0 H LEU A 59 0.182 5.558 2.663 1.00 0.00 H new ATOM 0 HA LEU A 59 1.039 3.380 4.325 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.834 4.831 6.049 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.063 5.950 4.721 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.598 6.866 6.115 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.570 6.959 4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.053 7.092 3.748 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.958 5.560 3.756 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.657 5.690 6.763 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.055 4.212 5.976 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.199 4.881 7.385 1.00 0.00 H new ATOM 896 N VAL A 60 -2.065 3.575 3.486 1.00 0.00 N ATOM 897 CA VAL A 60 -3.354 2.905 3.526 1.00 0.00 C ATOM 898 C VAL A 60 -3.296 1.629 2.693 1.00 0.00 C ATOM 899 O VAL A 60 -3.754 0.571 3.124 1.00 0.00 O ATOM 900 CB VAL A 60 -4.486 3.828 3.009 1.00 0.00 C ATOM 901 CG1 VAL A 60 -5.798 3.070 2.882 1.00 0.00 C ATOM 902 CG2 VAL A 60 -4.661 5.020 3.936 1.00 0.00 C ATOM 0 H VAL A 60 -1.979 4.266 2.741 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.576 2.654 4.563 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.201 4.185 2.019 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.573 3.744 2.517 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.675 2.245 2.181 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.087 2.678 3.857 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.460 5.659 3.560 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.918 4.669 4.936 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.731 5.588 3.978 1.00 0.00 H new ATOM 912 N ASP A 61 -2.709 1.731 1.504 1.00 0.00 N ATOM 913 CA ASP A 61 -2.572 0.588 0.624 1.00 0.00 C ATOM 914 C ASP A 61 -1.486 -0.358 1.132 1.00 0.00 C ATOM 915 O ASP A 61 -1.476 -1.550 0.807 1.00 0.00 O ATOM 916 CB ASP A 61 -2.237 1.064 -0.787 1.00 0.00 C ATOM 917 CG ASP A 61 -3.348 1.901 -1.395 1.00 0.00 C ATOM 918 OD1 ASP A 61 -4.369 2.124 -0.710 1.00 0.00 O ATOM 919 OD2 ASP A 61 -3.196 2.337 -2.556 1.00 0.00 O ATOM 0 H ASP A 61 -2.322 2.598 1.132 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.517 0.044 0.606 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.318 1.649 -0.761 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.047 0.200 -1.423 1.00 0.00 H new ATOM 924 N ALA A 62 -0.577 0.176 1.942 1.00 0.00 N ATOM 925 CA ALA A 62 0.496 -0.627 2.504 1.00 0.00 C ATOM 926 C ALA A 62 -0.076 -1.779 3.316 1.00 0.00 C ATOM 927 O ALA A 62 0.533 -2.839 3.417 1.00 0.00 O ATOM 928 CB ALA A 62 1.412 0.227 3.367 1.00 0.00 C ATOM 0 H ALA A 62 -0.564 1.157 2.221 1.00 0.00 H new ATOM 0 HA ALA A 62 1.084 -1.037 1.683 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.208 -0.394 3.778 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.847 1.021 2.760 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.838 0.667 4.182 1.00 0.00 H new ATOM 934 N ILE A 63 -1.258 -1.569 3.886 1.00 0.00 N ATOM 935 CA ILE A 63 -1.906 -2.601 4.676 1.00 0.00 C ATOM 936 C ILE A 63 -2.115 -3.859 3.829 1.00 0.00 C ATOM 937 O ILE A 63 -1.438 -4.864 4.052 1.00 0.00 O ATOM 938 CB ILE A 63 -3.224 -2.086 5.309 1.00 0.00 C ATOM 939 CG1 ILE A 63 -2.908 -1.234 6.540 1.00 0.00 C ATOM 940 CG2 ILE A 63 -4.162 -3.230 5.683 1.00 0.00 C ATOM 941 CD1 ILE A 63 -2.201 0.068 6.221 1.00 0.00 C ATOM 0 H ILE A 63 -1.782 -0.697 3.814 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.254 -2.868 5.507 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.737 -1.477 4.565 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.837 -1.012 7.064 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.288 -1.815 7.222 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.073 -2.824 6.123 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.414 -3.801 4.789 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.670 -3.883 6.404 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.012 0.615 7.145 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.254 -0.144 5.724 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.828 0.671 5.564 1.00 0.00 H new ATOM 953 N PRO A 64 -3.028 -3.850 2.834 1.00 0.00 N ATOM 954 CA PRO A 64 -3.226 -5.023 1.993 1.00 0.00 C ATOM 955 C PRO A 64 -1.932 -5.430 1.314 1.00 0.00 C ATOM 956 O PRO A 64 -1.721 -6.597 0.998 1.00 0.00 O ATOM 957 CB PRO A 64 -4.252 -4.583 0.945 1.00 0.00 C ATOM 958 CG PRO A 64 -4.896 -3.361 1.497 1.00 0.00 C ATOM 959 CD PRO A 64 -3.914 -2.735 2.450 1.00 0.00 C ATOM 0 HA PRO A 64 -3.559 -5.884 2.573 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.770 -4.374 -0.010 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.989 -5.366 0.766 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.153 -2.666 0.697 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.824 -3.613 2.011 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.356 -1.928 1.975 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.417 -2.308 3.318 1.00 0.00 H new ATOM 967 N MET A 65 -1.062 -4.454 1.105 1.00 0.00 N ATOM 968 CA MET A 65 0.217 -4.705 0.472 1.00 0.00 C ATOM 969 C MET A 65 1.126 -5.479 1.415 1.00 0.00 C ATOM 970 O MET A 65 1.955 -6.277 0.980 1.00 0.00 O ATOM 971 CB MET A 65 0.861 -3.382 0.078 1.00 0.00 C ATOM 972 CG MET A 65 2.214 -3.531 -0.586 1.00 0.00 C ATOM 973 SD MET A 65 2.151 -4.518 -2.093 1.00 0.00 S ATOM 974 CE MET A 65 1.035 -3.539 -3.094 1.00 0.00 C ATOM 0 H MET A 65 -1.221 -3.481 1.366 1.00 0.00 H new ATOM 0 HA MET A 65 0.062 -5.304 -0.425 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.192 -2.851 -0.599 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.971 -2.763 0.969 1.00 0.00 H new ATOM 0 HG2 MET A 65 2.608 -2.542 -0.821 1.00 0.00 H new ATOM 0 HG3 MET A 65 2.909 -3.993 0.116 1.00 0.00 H new ATOM 0 HE1 MET A 65 1.138 -3.826 -4.140 1.00 0.00 H new ATOM 0 HE2 MET A 65 0.009 -3.712 -2.770 1.00 0.00 H new ATOM 0 HE3 MET A 65 1.278 -2.482 -2.982 1.00 0.00 H new ATOM 984 N ILE A 66 0.941 -5.257 2.712 1.00 0.00 N ATOM 985 CA ILE A 66 1.731 -5.949 3.722 1.00 0.00 C ATOM 986 C ILE A 66 1.181 -7.353 3.923 1.00 0.00 C ATOM 987 O ILE A 66 1.936 -8.319 3.985 1.00 0.00 O ATOM 988 CB ILE A 66 1.750 -5.175 5.067 1.00 0.00 C ATOM 989 CG1 ILE A 66 2.599 -3.908 4.934 1.00 0.00 C ATOM 990 CG2 ILE A 66 2.281 -6.039 6.207 1.00 0.00 C ATOM 991 CD1 ILE A 66 2.551 -3.018 6.156 1.00 0.00 C ATOM 0 H ILE A 66 0.252 -4.605 3.087 1.00 0.00 H new ATOM 0 HA ILE A 66 2.761 -6.008 3.369 1.00 0.00 H new ATOM 0 HB ILE A 66 0.722 -4.901 5.305 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.634 -4.192 4.742 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.258 -3.341 4.068 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.279 -5.462 7.132 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.645 -6.916 6.325 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.299 -6.356 5.979 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.175 -2.140 5.991 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.523 -2.704 6.337 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.920 -3.568 7.022 1.00 0.00 H new ATOM 1003 N ALA A 67 -0.139 -7.460 4.001 1.00 0.00 N ATOM 1004 CA ALA A 67 -0.775 -8.753 4.173 1.00 0.00 C ATOM 1005 C ALA A 67 -0.609 -9.583 2.914 1.00 0.00 C ATOM 1006 O ALA A 67 -0.057 -10.682 2.946 1.00 0.00 O ATOM 1007 CB ALA A 67 -2.245 -8.584 4.524 1.00 0.00 C ATOM 0 H ALA A 67 -0.784 -6.671 3.948 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.293 -9.277 4.999 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.704 -9.565 4.649 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.335 -8.020 5.453 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.751 -8.046 3.722 1.00 0.00 H new ATOM 1013 N VAL A 68 -1.070 -9.036 1.797 1.00 0.00 N ATOM 1014 CA VAL A 68 -0.954 -9.713 0.517 1.00 0.00 C ATOM 1015 C VAL A 68 0.515 -9.895 0.153 1.00 0.00 C ATOM 1016 O VAL A 68 0.929 -10.965 -0.285 1.00 0.00 O ATOM 1017 CB VAL A 68 -1.679 -8.932 -0.602 1.00 0.00 C ATOM 1018 CG1 VAL A 68 -1.504 -9.617 -1.948 1.00 0.00 C ATOM 1019 CG2 VAL A 68 -3.158 -8.774 -0.269 1.00 0.00 C ATOM 0 H VAL A 68 -1.527 -8.125 1.754 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.429 -10.689 0.611 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.230 -7.941 -0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.024 -9.046 -2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.443 -9.673 -2.193 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.919 -10.624 -1.901 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.654 -8.222 -1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.616 -9.758 -0.170 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.264 -8.229 0.669 1.00 0.00 H new ATOM 1029 N GLY A 69 1.309 -8.848 0.353 1.00 0.00 N ATOM 1030 CA GLY A 69 2.722 -8.935 0.047 1.00 0.00 C ATOM 1031 C GLY A 69 3.411 -10.044 0.817 1.00 0.00 C ATOM 1032 O GLY A 69 4.167 -10.821 0.242 1.00 0.00 O ATOM 0 H GLY A 69 1.001 -7.947 0.719 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.850 -9.104 -1.022 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.201 -7.984 0.278 1.00 0.00 H new ATOM 1036 N LEU A 70 3.150 -10.123 2.120 1.00 0.00 N ATOM 1037 CA LEU A 70 3.752 -11.145 2.955 1.00 0.00 C ATOM 1038 C LEU A 70 3.261 -12.531 2.560 1.00 0.00 C ATOM 1039 O LEU A 70 4.055 -13.463 2.423 1.00 0.00 O ATOM 1040 CB LEU A 70 3.437 -10.870 4.424 1.00 0.00 C ATOM 1041 CG LEU A 70 4.446 -9.982 5.158 1.00 0.00 C ATOM 1042 CD1 LEU A 70 5.799 -10.674 5.242 1.00 0.00 C ATOM 1043 CD2 LEU A 70 4.580 -8.630 4.470 1.00 0.00 C ATOM 0 H LEU A 70 2.524 -9.488 2.615 1.00 0.00 H new ATOM 0 HA LEU A 70 4.832 -11.116 2.810 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.455 -10.402 4.486 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.369 -11.823 4.948 1.00 0.00 H new ATOM 0 HG LEU A 70 4.078 -9.812 6.170 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.505 -10.030 5.766 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.694 -11.614 5.784 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.168 -10.874 4.236 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.302 -8.017 5.010 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.922 -8.776 3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.612 -8.128 4.462 1.00 0.00 H new ATOM 1055 N GLY A 71 1.951 -12.667 2.372 1.00 0.00 N ATOM 1056 CA GLY A 71 1.398 -13.952 1.989 1.00 0.00 C ATOM 1057 C GLY A 71 1.922 -14.412 0.642 1.00 0.00 C ATOM 1058 O GLY A 71 2.436 -15.520 0.509 1.00 0.00 O ATOM 0 H GLY A 71 1.268 -11.916 2.477 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.645 -14.695 2.748 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.311 -13.883 1.952 1.00 0.00 H new ATOM 1062 N LEU A 72 1.797 -13.547 -0.356 1.00 0.00 N ATOM 1063 CA LEU A 72 2.260 -13.844 -1.705 1.00 0.00 C ATOM 1064 C LEU A 72 3.777 -13.977 -1.745 1.00 0.00 C ATOM 1065 O LEU A 72 4.323 -14.762 -2.519 1.00 0.00 O ATOM 1066 CB LEU A 72 1.800 -12.741 -2.660 1.00 0.00 C ATOM 1067 CG LEU A 72 0.325 -12.803 -3.058 1.00 0.00 C ATOM 1068 CD1 LEU A 72 -0.564 -12.984 -1.836 1.00 0.00 C ATOM 1069 CD2 LEU A 72 -0.067 -11.553 -3.828 1.00 0.00 C ATOM 0 H LEU A 72 1.374 -12.624 -0.254 1.00 0.00 H new ATOM 0 HA LEU A 72 1.831 -14.796 -2.018 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.995 -11.775 -2.195 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.407 -12.788 -3.564 1.00 0.00 H new ATOM 0 HG LEU A 72 0.182 -13.668 -3.705 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.608 -13.025 -2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.300 -13.912 -1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.422 -12.145 -1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.120 -11.611 -4.105 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.096 -10.675 -3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.541 -11.475 -4.729 1.00 0.00 H new ATOM 1081 N TYR A 73 4.456 -13.218 -0.889 1.00 0.00 N ATOM 1082 CA TYR A 73 5.913 -13.259 -0.819 1.00 0.00 C ATOM 1083 C TYR A 73 6.377 -14.693 -0.606 1.00 0.00 C ATOM 1084 O TYR A 73 7.282 -15.179 -1.280 1.00 0.00 O ATOM 1085 CB TYR A 73 6.420 -12.376 0.328 1.00 0.00 C ATOM 1086 CG TYR A 73 7.918 -12.411 0.502 1.00 0.00 C ATOM 1087 CD1 TYR A 73 8.753 -11.705 -0.354 1.00 0.00 C ATOM 1088 CD2 TYR A 73 8.498 -13.169 1.510 1.00 0.00 C ATOM 1089 CE1 TYR A 73 10.127 -11.755 -0.211 1.00 0.00 C ATOM 1090 CE2 TYR A 73 9.872 -13.221 1.663 1.00 0.00 C ATOM 1091 CZ TYR A 73 10.681 -12.513 0.800 1.00 0.00 C ATOM 1092 OH TYR A 73 12.049 -12.564 0.945 1.00 0.00 O ATOM 0 H TYR A 73 4.021 -12.568 -0.235 1.00 0.00 H new ATOM 0 HA TYR A 73 6.319 -12.881 -1.757 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.108 -11.347 0.148 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.947 -12.695 1.257 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.322 -11.108 -1.144 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.867 -13.727 2.186 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.764 -11.204 -0.887 1.00 0.00 H new ATOM 0 HE2 TYR A 73 10.308 -13.813 2.454 1.00 0.00 H new ATOM 0 HH TYR A 73 12.276 -13.140 1.704 1.00 0.00 H new ATOM 1102 N VAL A 74 5.730 -15.364 0.337 1.00 0.00 N ATOM 1103 CA VAL A 74 6.045 -16.750 0.652 1.00 0.00 C ATOM 1104 C VAL A 74 5.273 -17.697 -0.261 1.00 0.00 C ATOM 1105 O VAL A 74 5.733 -18.794 -0.577 1.00 0.00 O ATOM 1106 CB VAL A 74 5.706 -17.077 2.123 1.00 0.00 C ATOM 1107 CG1 VAL A 74 6.094 -18.508 2.464 1.00 0.00 C ATOM 1108 CG2 VAL A 74 6.393 -16.098 3.061 1.00 0.00 C ATOM 0 H VAL A 74 4.978 -14.967 0.901 1.00 0.00 H new ATOM 0 HA VAL A 74 7.115 -16.886 0.496 1.00 0.00 H new ATOM 0 HB VAL A 74 4.628 -16.978 2.252 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.845 -18.714 3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.550 -19.196 1.818 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.166 -18.640 2.314 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.142 -16.345 4.092 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.473 -16.161 2.925 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.058 -15.085 2.839 1.00 0.00 H new ATOM 1118 N MET A 75 4.086 -17.273 -0.678 1.00 0.00 N ATOM 1119 CA MET A 75 3.249 -18.097 -1.537 1.00 0.00 C ATOM 1120 C MET A 75 3.752 -18.123 -2.981 1.00 0.00 C ATOM 1121 O MET A 75 4.321 -19.116 -3.426 1.00 0.00 O ATOM 1122 CB MET A 75 1.802 -17.606 -1.487 1.00 0.00 C ATOM 1123 CG MET A 75 1.093 -17.938 -0.182 1.00 0.00 C ATOM 1124 SD MET A 75 1.052 -19.706 0.170 1.00 0.00 S ATOM 1125 CE MET A 75 0.188 -19.720 1.739 1.00 0.00 C ATOM 0 H MET A 75 3.684 -16.367 -0.436 1.00 0.00 H new ATOM 0 HA MET A 75 3.299 -19.119 -1.160 1.00 0.00 H new ATOM 0 HB2 MET A 75 1.788 -16.526 -1.634 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.248 -18.048 -2.315 1.00 0.00 H new ATOM 0 HG2 MET A 75 1.593 -17.422 0.638 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.072 -17.558 -0.223 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.239 -20.718 2.174 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.653 -19.005 2.417 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.855 -19.446 1.582 1.00 0.00 H new ATOM 1135 N PHE A 76 3.534 -17.037 -3.714 1.00 0.00 N ATOM 1136 CA PHE A 76 3.950 -16.971 -5.116 1.00 0.00 C ATOM 1137 C PHE A 76 5.462 -17.092 -5.302 1.00 0.00 C ATOM 1138 O PHE A 76 5.919 -17.530 -6.356 1.00 0.00 O ATOM 1139 CB PHE A 76 3.465 -15.674 -5.767 1.00 0.00 C ATOM 1140 CG PHE A 76 1.991 -15.660 -6.069 1.00 0.00 C ATOM 1141 CD1 PHE A 76 1.397 -16.711 -6.749 1.00 0.00 C ATOM 1142 CD2 PHE A 76 1.202 -14.597 -5.671 1.00 0.00 C ATOM 1143 CE1 PHE A 76 0.042 -16.700 -7.020 1.00 0.00 C ATOM 1144 CE2 PHE A 76 -0.151 -14.579 -5.942 1.00 0.00 C ATOM 1145 CZ PHE A 76 -0.731 -15.632 -6.616 1.00 0.00 C ATOM 0 H PHE A 76 3.075 -16.195 -3.367 1.00 0.00 H new ATOM 0 HA PHE A 76 3.489 -17.830 -5.604 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.699 -14.838 -5.108 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.018 -15.514 -6.693 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.999 -17.548 -7.071 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.650 -13.770 -5.141 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.411 -17.527 -7.547 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.755 -13.741 -5.626 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.790 -15.621 -6.828 1.00 0.00 H new ATOM 1155 N ALA A 77 6.241 -16.685 -4.305 1.00 0.00 N ATOM 1156 CA ALA A 77 7.693 -16.739 -4.419 1.00 0.00 C ATOM 1157 C ALA A 77 8.286 -17.963 -3.738 1.00 0.00 C ATOM 1158 O ALA A 77 9.110 -18.671 -4.318 1.00 0.00 O ATOM 1159 CB ALA A 77 8.315 -15.468 -3.861 1.00 0.00 C ATOM 0 H ALA A 77 5.896 -16.318 -3.418 1.00 0.00 H new ATOM 0 HA ALA A 77 7.928 -16.820 -5.480 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.400 -15.523 -3.953 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.947 -14.607 -4.419 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.045 -15.362 -2.810 1.00 0.00 H new ATOM 1165 N VAL A 78 7.880 -18.197 -2.503 1.00 0.00 N ATOM 1166 CA VAL A 78 8.385 -19.326 -1.735 1.00 0.00 C ATOM 1167 C VAL A 78 7.509 -20.569 -1.898 1.00 0.00 C ATOM 1168 O VAL A 78 7.858 -21.644 -1.411 1.00 0.00 O ATOM 1169 CB VAL A 78 8.521 -18.983 -0.237 1.00 0.00 C ATOM 1170 CG1 VAL A 78 9.101 -20.157 0.538 1.00 0.00 C ATOM 1171 CG2 VAL A 78 9.375 -17.739 -0.053 1.00 0.00 C ATOM 0 H VAL A 78 7.200 -17.620 -2.008 1.00 0.00 H new ATOM 0 HA VAL A 78 9.374 -19.546 -2.136 1.00 0.00 H new ATOM 0 HB VAL A 78 7.526 -18.779 0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 78 9.187 -19.891 1.591 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.445 -21.021 0.435 1.00 0.00 H new ATOM 0 HG13 VAL A 78 10.087 -20.402 0.144 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.461 -17.511 1.009 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.368 -17.914 -0.468 1.00 0.00 H new ATOM 0 HG23 VAL A 78 8.910 -16.899 -0.568 1.00 0.00 H new ATOM 1181 N ALA A 79 6.376 -20.428 -2.583 1.00 0.00 N ATOM 1182 CA ALA A 79 5.475 -21.559 -2.799 1.00 0.00 C ATOM 1183 C ALA A 79 4.945 -21.578 -4.229 1.00 0.00 C ATOM 1184 O ALA A 79 5.248 -22.485 -5.005 1.00 0.00 O ATOM 1185 CB ALA A 79 4.322 -21.519 -1.809 1.00 0.00 C ATOM 0 H ALA A 79 6.061 -19.550 -2.995 1.00 0.00 H new ATOM 0 HA ALA A 79 6.044 -22.474 -2.638 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.662 -22.368 -1.985 1.00 0.00 H new ATOM 0 HB2 ALA A 79 4.713 -21.568 -0.793 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.763 -20.592 -1.939 1.00 0.00 H new TER 1191 ALA A 79