USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 571 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 NoAdj : A 60 ASNHD21 : A 60 ASN OD1 : A 102 CACA :(metal ligand) USER MOD NoAdj : A 60 ASNHD22 : A 60 ASN OD1 : A 102 CACA :(metal ligand) USER MOD Set 1.1: A 28 SER OG : rot 180:sc= -2.35! USER MOD Set 1.2: A 62 GLN : amide:sc= -2.24! C(o=-4.6!,f=-4!) USER MOD Set 2.1: A 49 ASN : amide:sc= 0 K(o=-4,f=-4.9) USER MOD Set 2.2: A 52 MET CE :methyl -144:sc= -3.96! (180deg=-6.01!) USER MOD Single : A 1 SER N :NH3+ -171:sc= -0.0269 (180deg=-0.105) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 110:sc= -0.231 USER MOD Single : A 3 ASN : amide:sc= -1.06 K(o=-1.1,f=-2.1!) USER MOD Single : A 5 THR OG1 : rot -2:sc= -0.663! USER MOD Single : A 8 GLN : amide:sc= -0.468 K(o=-0.47,f=-2.7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -7.72! C(o=-7.7!,f=-8.4!) USER MOD Single : A 24 ASN : amide:sc= -2.61! C(o=-2.6!,f=-1.6!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 80:sc= 0.952 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -55:sc= 0.627 USER MOD Single : A 44 SER OG : rot 61:sc= 0.173 USER MOD Single : A 53 ASN : amide:sc= -0.319 K(o=-0.32,f=-2.4!) USER MOD Single : A 61 HIS : no HD1:sc= -1.77! C(o=-1.8!,f=-2.7!) USER MOD Single : A 66 SER OG : rot -70:sc= -0.277 USER MOD Single : A 72 MET CE :methyl 139:sc= -0.507 (180deg=-3.88!) USER MOD Single : A 73 SER OG : rot -99:sc= 1.21 USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -12.405 0.074 -26.842 1.00 0.00 N ATOM 2 CA SER A 1 -11.641 -0.623 -25.767 1.00 0.00 C ATOM 3 C SER A 1 -12.593 -1.429 -24.879 1.00 0.00 C ATOM 4 O SER A 1 -12.257 -2.492 -24.398 1.00 0.00 O ATOM 5 CB SER A 1 -10.977 0.494 -24.965 1.00 0.00 C ATOM 6 OG SER A 1 -10.815 0.073 -23.617 1.00 0.00 O ATOM 0 H1 SER A 1 -11.741 0.491 -27.525 1.00 0.00 H new ATOM 0 H2 SER A 1 -13.020 -0.609 -27.329 1.00 0.00 H new ATOM 0 H3 SER A 1 -12.987 0.826 -26.422 1.00 0.00 H new ATOM 0 HA SER A 1 -10.911 -1.325 -26.169 1.00 0.00 H new ATOM 0 HB2 SER A 1 -10.009 0.743 -25.399 1.00 0.00 H new ATOM 0 HB3 SER A 1 -11.586 1.397 -25.005 1.00 0.00 H new ATOM 0 HG SER A 1 -10.388 0.788 -23.100 1.00 0.00 H new ATOM 14 N SER A 2 -13.779 -0.929 -24.659 1.00 0.00 N ATOM 15 CA SER A 2 -14.751 -1.668 -23.802 1.00 0.00 C ATOM 16 C SER A 2 -14.154 -1.909 -22.413 1.00 0.00 C ATOM 17 O SER A 2 -13.142 -1.340 -22.055 1.00 0.00 O ATOM 18 CB SER A 2 -14.984 -2.995 -24.523 1.00 0.00 C ATOM 19 OG SER A 2 -14.808 -2.808 -25.921 1.00 0.00 O ATOM 0 H SER A 2 -14.117 -0.043 -25.035 1.00 0.00 H new ATOM 0 HA SER A 2 -15.679 -1.114 -23.657 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.288 -3.749 -24.155 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.990 -3.362 -24.317 1.00 0.00 H new ATOM 0 HG SER A 2 -13.989 -3.261 -26.211 1.00 0.00 H new ATOM 25 N ASN A 3 -14.774 -2.747 -21.628 1.00 0.00 N ATOM 26 CA ASN A 3 -14.242 -3.023 -20.262 1.00 0.00 C ATOM 27 C ASN A 3 -14.176 -1.727 -19.448 1.00 0.00 C ATOM 28 O ASN A 3 -13.310 -0.899 -19.652 1.00 0.00 O ATOM 29 CB ASN A 3 -12.838 -3.585 -20.491 1.00 0.00 C ATOM 30 CG ASN A 3 -12.703 -4.928 -19.771 1.00 0.00 C ATOM 31 OD1 ASN A 3 -12.374 -4.973 -18.602 1.00 0.00 O ATOM 32 ND2 ASN A 3 -12.944 -6.032 -20.423 1.00 0.00 N ATOM 0 H ASN A 3 -15.625 -3.253 -21.873 1.00 0.00 H new ATOM 0 HA ASN A 3 -14.873 -3.716 -19.705 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -12.655 -3.712 -21.558 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -12.089 -2.885 -20.121 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -12.856 -6.932 -19.952 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -13.220 -5.995 -21.404 1.00 0.00 H new ATOM 39 N LEU A 4 -15.084 -1.547 -18.529 1.00 0.00 N ATOM 40 CA LEU A 4 -15.077 -0.309 -17.703 1.00 0.00 C ATOM 41 C LEU A 4 -15.689 -0.602 -16.333 1.00 0.00 C ATOM 42 O LEU A 4 -16.050 -1.721 -16.033 1.00 0.00 O ATOM 43 CB LEU A 4 -15.932 0.711 -18.469 1.00 0.00 C ATOM 44 CG LEU A 4 -17.056 0.003 -19.237 1.00 0.00 C ATOM 45 CD1 LEU A 4 -17.949 -0.758 -18.257 1.00 0.00 C ATOM 46 CD2 LEU A 4 -17.893 1.044 -19.985 1.00 0.00 C ATOM 0 H LEU A 4 -15.832 -2.206 -18.315 1.00 0.00 H new ATOM 0 HA LEU A 4 -14.068 0.068 -17.538 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -16.358 1.433 -17.772 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -15.306 1.270 -19.164 1.00 0.00 H new ATOM 0 HG LEU A 4 -16.622 -0.699 -19.949 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -18.746 -1.260 -18.805 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -17.354 -1.499 -17.723 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -18.384 -0.059 -17.543 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -18.692 0.544 -20.532 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -18.325 1.745 -19.271 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -17.258 1.586 -20.686 1.00 0.00 H new ATOM 58 N THR A 5 -15.816 0.393 -15.503 1.00 0.00 N ATOM 59 CA THR A 5 -16.418 0.161 -14.159 1.00 0.00 C ATOM 60 C THR A 5 -15.819 -1.092 -13.511 1.00 0.00 C ATOM 61 O THR A 5 -14.634 -1.340 -13.600 1.00 0.00 O ATOM 62 CB THR A 5 -17.907 -0.038 -14.440 1.00 0.00 C ATOM 63 OG1 THR A 5 -18.112 -1.313 -15.032 1.00 0.00 O ATOM 64 CG2 THR A 5 -18.402 1.054 -15.389 1.00 0.00 C ATOM 0 H THR A 5 -15.531 1.354 -15.694 1.00 0.00 H new ATOM 0 HA THR A 5 -16.231 0.985 -13.470 1.00 0.00 H new ATOM 0 HB THR A 5 -18.462 0.020 -13.504 1.00 0.00 H new ATOM 0 HG1 THR A 5 -17.249 -1.762 -15.150 1.00 0.00 H new ATOM 0 HG21 THR A 5 -19.464 0.910 -15.588 1.00 0.00 H new ATOM 0 HG22 THR A 5 -18.248 2.031 -14.931 1.00 0.00 H new ATOM 0 HG23 THR A 5 -17.847 1.001 -16.326 1.00 0.00 H new ATOM 72 N GLU A 6 -16.633 -1.880 -12.858 1.00 0.00 N ATOM 73 CA GLU A 6 -16.119 -3.118 -12.199 1.00 0.00 C ATOM 74 C GLU A 6 -15.073 -3.799 -13.083 1.00 0.00 C ATOM 75 O GLU A 6 -14.119 -4.377 -12.601 1.00 0.00 O ATOM 76 CB GLU A 6 -17.349 -4.011 -12.033 1.00 0.00 C ATOM 77 CG GLU A 6 -17.738 -4.609 -13.387 1.00 0.00 C ATOM 78 CD GLU A 6 -18.925 -5.557 -13.205 1.00 0.00 C ATOM 79 OE1 GLU A 6 -19.953 -5.102 -12.733 1.00 0.00 O ATOM 80 OE2 GLU A 6 -18.785 -6.721 -13.542 1.00 0.00 O ATOM 0 H GLU A 6 -17.635 -1.719 -12.752 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.633 -2.908 -11.246 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.138 -4.808 -11.320 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.179 -3.432 -11.628 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -17.998 -3.814 -14.086 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.892 -5.147 -13.815 1.00 0.00 H new ATOM 87 N GLU A 7 -15.241 -3.730 -14.373 1.00 0.00 N ATOM 88 CA GLU A 7 -14.253 -4.366 -15.287 1.00 0.00 C ATOM 89 C GLU A 7 -12.921 -3.625 -15.186 1.00 0.00 C ATOM 90 O GLU A 7 -11.876 -4.224 -15.028 1.00 0.00 O ATOM 91 CB GLU A 7 -14.849 -4.223 -16.688 1.00 0.00 C ATOM 92 CG GLU A 7 -16.272 -4.784 -16.697 1.00 0.00 C ATOM 93 CD GLU A 7 -17.204 -3.808 -17.415 1.00 0.00 C ATOM 94 OE1 GLU A 7 -16.877 -3.413 -18.522 1.00 0.00 O ATOM 95 OE2 GLU A 7 -18.230 -3.470 -16.845 1.00 0.00 O ATOM 0 H GLU A 7 -16.020 -3.260 -14.834 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.064 -5.411 -15.042 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -14.858 -3.174 -16.985 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.233 -4.755 -17.413 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -16.289 -5.753 -17.197 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.616 -4.946 -15.676 1.00 0.00 H new ATOM 102 N GLN A 8 -12.951 -2.321 -15.256 1.00 0.00 N ATOM 103 CA GLN A 8 -11.681 -1.551 -15.142 1.00 0.00 C ATOM 104 C GLN A 8 -11.169 -1.645 -13.703 1.00 0.00 C ATOM 105 O GLN A 8 -10.010 -1.913 -13.461 1.00 0.00 O ATOM 106 CB GLN A 8 -12.041 -0.105 -15.528 1.00 0.00 C ATOM 107 CG GLN A 8 -12.453 0.704 -14.292 1.00 0.00 C ATOM 108 CD GLN A 8 -12.639 2.171 -14.683 1.00 0.00 C ATOM 109 OE1 GLN A 8 -12.028 2.645 -15.620 1.00 0.00 O ATOM 110 NE2 GLN A 8 -13.464 2.916 -13.998 1.00 0.00 N ATOM 0 H GLN A 8 -13.793 -1.760 -15.386 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.889 -1.931 -15.788 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.187 0.370 -16.011 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.855 -0.110 -16.253 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.379 0.307 -13.876 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.692 0.617 -13.516 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -13.977 2.518 -13.211 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.595 3.896 -14.250 1.00 0.00 H new ATOM 119 N ILE A 9 -12.036 -1.440 -12.750 1.00 0.00 N ATOM 120 CA ILE A 9 -11.618 -1.532 -11.327 1.00 0.00 C ATOM 121 C ILE A 9 -10.925 -2.868 -11.078 1.00 0.00 C ATOM 122 O ILE A 9 -9.759 -2.919 -10.752 1.00 0.00 O ATOM 123 CB ILE A 9 -12.915 -1.455 -10.527 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.597 -0.110 -10.786 1.00 0.00 C ATOM 125 CG2 ILE A 9 -12.601 -1.592 -9.038 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.100 -0.249 -10.540 1.00 0.00 C ATOM 0 H ILE A 9 -13.019 -1.212 -12.898 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.919 -0.744 -11.048 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.581 -2.262 -10.834 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.179 0.655 -10.131 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.413 0.213 -11.811 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.526 -1.537 -8.464 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.117 -2.551 -8.855 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.935 -0.785 -8.731 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.589 0.708 -10.724 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.511 -1.002 -11.213 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.273 -0.553 -9.508 1.00 0.00 H new ATOM 138 N ALA A 10 -11.635 -3.953 -11.233 1.00 0.00 N ATOM 139 CA ALA A 10 -11.008 -5.286 -11.007 1.00 0.00 C ATOM 140 C ALA A 10 -9.617 -5.318 -11.646 1.00 0.00 C ATOM 141 O ALA A 10 -8.644 -5.710 -11.029 1.00 0.00 O ATOM 142 CB ALA A 10 -11.939 -6.286 -11.692 1.00 0.00 C ATOM 0 H ALA A 10 -12.618 -3.974 -11.505 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.882 -5.514 -9.949 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.544 -7.294 -11.569 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.930 -6.228 -11.242 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.008 -6.050 -12.754 1.00 0.00 H new ATOM 148 N GLU A 11 -9.518 -4.894 -12.876 1.00 0.00 N ATOM 149 CA GLU A 11 -8.190 -4.886 -13.553 1.00 0.00 C ATOM 150 C GLU A 11 -7.232 -3.967 -12.795 1.00 0.00 C ATOM 151 O GLU A 11 -6.081 -4.290 -12.582 1.00 0.00 O ATOM 152 CB GLU A 11 -8.463 -4.342 -14.957 1.00 0.00 C ATOM 153 CG GLU A 11 -8.408 -5.489 -15.969 1.00 0.00 C ATOM 154 CD GLU A 11 -6.968 -5.989 -16.096 1.00 0.00 C ATOM 155 OE1 GLU A 11 -6.291 -6.051 -15.084 1.00 0.00 O ATOM 156 OE2 GLU A 11 -6.566 -6.301 -17.206 1.00 0.00 O ATOM 0 H GLU A 11 -10.297 -4.554 -13.440 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.730 -5.874 -13.587 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.441 -3.862 -14.989 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.726 -3.581 -15.213 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.060 -6.302 -15.649 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.773 -5.151 -16.939 1.00 0.00 H new ATOM 163 N PHE A 12 -7.707 -2.825 -12.378 1.00 0.00 N ATOM 164 CA PHE A 12 -6.833 -1.886 -11.623 1.00 0.00 C ATOM 165 C PHE A 12 -6.409 -2.525 -10.300 1.00 0.00 C ATOM 166 O PHE A 12 -5.240 -2.581 -9.974 1.00 0.00 O ATOM 167 CB PHE A 12 -7.704 -0.653 -11.375 1.00 0.00 C ATOM 168 CG PHE A 12 -7.866 0.115 -12.666 1.00 0.00 C ATOM 169 CD1 PHE A 12 -6.739 0.462 -13.417 1.00 0.00 C ATOM 170 CD2 PHE A 12 -9.143 0.479 -13.111 1.00 0.00 C ATOM 171 CE1 PHE A 12 -6.885 1.173 -14.614 1.00 0.00 C ATOM 172 CE2 PHE A 12 -9.290 1.190 -14.308 1.00 0.00 C ATOM 173 CZ PHE A 12 -8.161 1.538 -15.059 1.00 0.00 C ATOM 0 H PHE A 12 -8.663 -2.503 -12.528 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.920 -1.634 -12.163 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.680 -0.954 -10.993 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.247 -0.018 -10.616 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.754 0.181 -13.073 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.014 0.211 -12.531 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.014 1.440 -15.194 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.275 1.470 -14.652 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.274 2.088 -15.982 1.00 0.00 H new ATOM 183 N LYS A 13 -7.354 -3.010 -9.539 1.00 0.00 N ATOM 184 CA LYS A 13 -7.017 -3.654 -8.238 1.00 0.00 C ATOM 185 C LYS A 13 -5.767 -4.516 -8.402 1.00 0.00 C ATOM 186 O LYS A 13 -4.787 -4.344 -7.704 1.00 0.00 O ATOM 187 CB LYS A 13 -8.230 -4.521 -7.897 1.00 0.00 C ATOM 188 CG LYS A 13 -9.168 -3.748 -6.970 1.00 0.00 C ATOM 189 CD LYS A 13 -9.862 -4.721 -6.016 1.00 0.00 C ATOM 190 CE LYS A 13 -9.733 -4.209 -4.579 1.00 0.00 C ATOM 191 NZ LYS A 13 -11.126 -4.194 -4.051 1.00 0.00 N ATOM 0 H LYS A 13 -8.349 -2.987 -9.764 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.809 -2.928 -7.452 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.755 -4.804 -8.809 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.906 -5.444 -7.416 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.606 -3.006 -6.403 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.910 -3.206 -7.556 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.914 -4.822 -6.284 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.415 -5.711 -6.102 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.092 -4.859 -3.984 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.290 -3.214 -4.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.121 -3.854 -3.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.711 -3.562 -4.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.520 -5.156 -4.082 1.00 0.00 H new ATOM 205 N GLU A 14 -5.784 -5.432 -9.331 1.00 0.00 N ATOM 206 CA GLU A 14 -4.582 -6.284 -9.544 1.00 0.00 C ATOM 207 C GLU A 14 -3.366 -5.384 -9.780 1.00 0.00 C ATOM 208 O GLU A 14 -2.304 -5.592 -9.225 1.00 0.00 O ATOM 209 CB GLU A 14 -4.893 -7.113 -10.791 1.00 0.00 C ATOM 210 CG GLU A 14 -3.665 -7.943 -11.170 1.00 0.00 C ATOM 211 CD GLU A 14 -4.032 -8.910 -12.299 1.00 0.00 C ATOM 212 OE1 GLU A 14 -3.967 -8.500 -13.446 1.00 0.00 O ATOM 213 OE2 GLU A 14 -4.371 -10.041 -11.996 1.00 0.00 O ATOM 0 H GLU A 14 -6.573 -5.626 -9.948 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.358 -6.923 -8.690 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.744 -7.768 -10.603 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.171 -6.458 -11.616 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.854 -7.288 -11.487 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.306 -8.498 -10.303 1.00 0.00 H new ATOM 220 N ALA A 15 -3.523 -4.375 -10.593 1.00 0.00 N ATOM 221 CA ALA A 15 -2.390 -3.447 -10.860 1.00 0.00 C ATOM 222 C ALA A 15 -2.027 -2.694 -9.579 1.00 0.00 C ATOM 223 O ALA A 15 -0.874 -2.598 -9.209 1.00 0.00 O ATOM 224 CB ALA A 15 -2.907 -2.481 -11.925 1.00 0.00 C ATOM 0 H ALA A 15 -4.389 -4.154 -11.084 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.493 -3.969 -11.193 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.126 -1.763 -12.175 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.186 -3.040 -12.818 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.778 -1.950 -11.542 1.00 0.00 H new ATOM 230 N PHE A 16 -3.006 -2.166 -8.891 1.00 0.00 N ATOM 231 CA PHE A 16 -2.709 -1.430 -7.630 1.00 0.00 C ATOM 232 C PHE A 16 -1.742 -2.250 -6.777 1.00 0.00 C ATOM 233 O PHE A 16 -0.645 -1.822 -6.479 1.00 0.00 O ATOM 234 CB PHE A 16 -4.054 -1.285 -6.917 1.00 0.00 C ATOM 235 CG PHE A 16 -3.816 -0.832 -5.496 1.00 0.00 C ATOM 236 CD1 PHE A 16 -3.478 0.502 -5.234 1.00 0.00 C ATOM 237 CD2 PHE A 16 -3.928 -1.745 -4.441 1.00 0.00 C ATOM 238 CE1 PHE A 16 -3.254 0.921 -3.916 1.00 0.00 C ATOM 239 CE2 PHE A 16 -3.702 -1.325 -3.125 1.00 0.00 C ATOM 240 CZ PHE A 16 -3.366 0.008 -2.863 1.00 0.00 C ATOM 0 H PHE A 16 -3.992 -2.213 -9.147 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.247 -0.460 -7.815 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.681 -0.564 -7.441 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.587 -2.236 -6.924 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.390 1.207 -6.047 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.189 -2.774 -4.642 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.995 1.950 -3.713 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.787 -2.030 -2.311 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.193 0.332 -1.847 1.00 0.00 H new ATOM 250 N ALA A 17 -2.138 -3.432 -6.389 1.00 0.00 N ATOM 251 CA ALA A 17 -1.236 -4.281 -5.565 1.00 0.00 C ATOM 252 C ALA A 17 0.167 -4.273 -6.172 1.00 0.00 C ATOM 253 O ALA A 17 1.147 -4.039 -5.492 1.00 0.00 O ATOM 254 CB ALA A 17 -1.843 -5.683 -5.626 1.00 0.00 C ATOM 0 H ALA A 17 -3.045 -3.844 -6.607 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.147 -3.927 -4.538 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.232 -6.370 -5.040 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.854 -5.660 -5.220 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.876 -6.020 -6.662 1.00 0.00 H new ATOM 260 N LEU A 18 0.272 -4.520 -7.450 1.00 0.00 N ATOM 261 CA LEU A 18 1.613 -4.514 -8.098 1.00 0.00 C ATOM 262 C LEU A 18 2.409 -3.297 -7.620 1.00 0.00 C ATOM 263 O LEU A 18 3.591 -3.381 -7.350 1.00 0.00 O ATOM 264 CB LEU A 18 1.331 -4.418 -9.598 1.00 0.00 C ATOM 265 CG LEU A 18 2.173 -5.455 -10.343 1.00 0.00 C ATOM 266 CD1 LEU A 18 1.403 -6.774 -10.426 1.00 0.00 C ATOM 267 CD2 LEU A 18 2.469 -4.949 -11.757 1.00 0.00 C ATOM 0 H LEU A 18 -0.511 -4.725 -8.071 1.00 0.00 H new ATOM 0 HA LEU A 18 2.199 -5.400 -7.856 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.272 -4.587 -9.791 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.565 -3.417 -9.959 1.00 0.00 H new ATOM 0 HG LEU A 18 3.110 -5.614 -9.809 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.003 -7.513 -10.957 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.190 -7.135 -9.420 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.466 -6.616 -10.961 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.069 -5.687 -12.289 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.532 -4.790 -12.290 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.017 -4.009 -11.700 1.00 0.00 H new ATOM 279 N PHE A 19 1.764 -2.168 -7.504 1.00 0.00 N ATOM 280 CA PHE A 19 2.477 -0.946 -7.034 1.00 0.00 C ATOM 281 C PHE A 19 2.704 -1.030 -5.523 1.00 0.00 C ATOM 282 O PHE A 19 3.711 -0.586 -5.009 1.00 0.00 O ATOM 283 CB PHE A 19 1.539 0.215 -7.369 1.00 0.00 C ATOM 284 CG PHE A 19 1.291 0.253 -8.858 1.00 0.00 C ATOM 285 CD1 PHE A 19 2.364 0.124 -9.748 1.00 0.00 C ATOM 286 CD2 PHE A 19 -0.009 0.419 -9.348 1.00 0.00 C ATOM 287 CE1 PHE A 19 2.136 0.162 -11.129 1.00 0.00 C ATOM 288 CE2 PHE A 19 -0.238 0.456 -10.729 1.00 0.00 C ATOM 289 CZ PHE A 19 0.835 0.327 -11.619 1.00 0.00 C ATOM 0 H PHE A 19 0.774 -2.039 -7.714 1.00 0.00 H new ATOM 0 HA PHE A 19 3.454 -0.826 -7.503 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.595 0.099 -6.836 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.978 1.157 -7.039 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.367 -0.005 -9.369 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.836 0.519 -8.661 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.964 0.064 -11.816 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.241 0.584 -11.107 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.659 0.355 -12.684 1.00 0.00 H new ATOM 299 N ASP A 20 1.773 -1.603 -4.809 1.00 0.00 N ATOM 300 CA ASP A 20 1.930 -1.724 -3.332 1.00 0.00 C ATOM 301 C ASP A 20 2.940 -2.825 -3.003 1.00 0.00 C ATOM 302 O ASP A 20 3.567 -2.819 -1.963 1.00 0.00 O ATOM 303 CB ASP A 20 0.538 -2.093 -2.817 1.00 0.00 C ATOM 304 CG ASP A 20 0.565 -2.181 -1.292 1.00 0.00 C ATOM 305 OD1 ASP A 20 1.649 -2.124 -0.735 1.00 0.00 O ATOM 306 OD2 ASP A 20 -0.497 -2.300 -0.705 1.00 0.00 O ATOM 0 H ASP A 20 0.909 -1.993 -5.186 1.00 0.00 H new ATOM 0 HA ASP A 20 2.300 -0.807 -2.874 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.189 -1.346 -3.136 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.223 -3.046 -3.241 1.00 0.00 H new ATOM 311 N LYS A 21 3.109 -3.766 -3.894 1.00 0.00 N ATOM 312 CA LYS A 21 4.087 -4.871 -3.657 1.00 0.00 C ATOM 313 C LYS A 21 3.624 -5.786 -2.517 1.00 0.00 C ATOM 314 O LYS A 21 4.316 -6.711 -2.141 1.00 0.00 O ATOM 315 CB LYS A 21 5.399 -4.173 -3.286 1.00 0.00 C ATOM 316 CG LYS A 21 6.443 -4.447 -4.369 1.00 0.00 C ATOM 317 CD LYS A 21 7.513 -5.394 -3.820 1.00 0.00 C ATOM 318 CE LYS A 21 6.845 -6.655 -3.267 1.00 0.00 C ATOM 319 NZ LYS A 21 7.643 -7.786 -3.816 1.00 0.00 N ATOM 0 H LYS A 21 2.609 -3.818 -4.782 1.00 0.00 H new ATOM 0 HA LYS A 21 4.193 -5.507 -4.536 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.237 -3.100 -3.185 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.756 -4.534 -2.321 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.967 -4.888 -5.245 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.901 -3.512 -4.692 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.218 -5.659 -4.608 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.084 -4.898 -3.035 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.852 -6.660 -2.177 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.803 -6.719 -3.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.245 -8.686 -3.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.613 -7.760 -4.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.629 -7.703 -3.496 1.00 0.00 H new ATOM 333 N ASP A 22 2.465 -5.548 -1.966 1.00 0.00 N ATOM 334 CA ASP A 22 1.982 -6.425 -0.858 1.00 0.00 C ATOM 335 C ASP A 22 0.467 -6.288 -0.676 1.00 0.00 C ATOM 336 O ASP A 22 -0.072 -6.621 0.361 1.00 0.00 O ATOM 337 CB ASP A 22 2.721 -5.939 0.389 1.00 0.00 C ATOM 338 CG ASP A 22 2.684 -4.412 0.447 1.00 0.00 C ATOM 339 OD1 ASP A 22 1.643 -3.878 0.794 1.00 0.00 O ATOM 340 OD2 ASP A 22 3.697 -3.802 0.146 1.00 0.00 O ATOM 0 H ASP A 22 1.835 -4.791 -2.231 1.00 0.00 H new ATOM 0 HA ASP A 22 2.175 -7.478 -1.062 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.260 -6.358 1.283 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.754 -6.287 0.370 1.00 0.00 H new ATOM 345 N ASN A 23 -0.223 -5.810 -1.677 1.00 0.00 N ATOM 346 CA ASN A 23 -1.706 -5.657 -1.569 1.00 0.00 C ATOM 347 C ASN A 23 -2.096 -5.166 -0.172 1.00 0.00 C ATOM 348 O ASN A 23 -3.102 -5.569 0.379 1.00 0.00 O ATOM 349 CB ASN A 23 -2.274 -7.056 -1.814 1.00 0.00 C ATOM 350 CG ASN A 23 -1.528 -7.723 -2.972 1.00 0.00 C ATOM 351 OD1 ASN A 23 -2.006 -7.740 -4.089 1.00 0.00 O ATOM 352 ND2 ASN A 23 -0.367 -8.278 -2.751 1.00 0.00 N ATOM 0 H ASN A 23 0.177 -5.517 -2.569 1.00 0.00 H new ATOM 0 HA ASN A 23 -2.090 -4.927 -2.282 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.179 -7.660 -0.912 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.338 -6.992 -2.044 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.138 -8.725 -3.516 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.035 -8.264 -1.814 1.00 0.00 H new ATOM 359 N ASN A 24 -1.313 -4.299 0.405 1.00 0.00 N ATOM 360 CA ASN A 24 -1.644 -3.784 1.766 1.00 0.00 C ATOM 361 C ASN A 24 -2.703 -2.682 1.671 1.00 0.00 C ATOM 362 O ASN A 24 -3.002 -2.011 2.638 1.00 0.00 O ATOM 363 CB ASN A 24 -0.330 -3.219 2.304 1.00 0.00 C ATOM 364 CG ASN A 24 -0.609 -2.351 3.532 1.00 0.00 C ATOM 365 OD1 ASN A 24 -0.013 -1.305 3.699 1.00 0.00 O ATOM 366 ND2 ASN A 24 -1.496 -2.743 4.404 1.00 0.00 N ATOM 0 H ASN A 24 -0.458 -3.924 -0.005 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.051 -4.560 2.414 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.346 -4.032 2.567 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.166 -2.628 1.534 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.690 -2.172 5.226 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.996 -3.621 4.264 1.00 0.00 H new ATOM 373 N GLY A 25 -3.268 -2.488 0.511 1.00 0.00 N ATOM 374 CA GLY A 25 -4.303 -1.427 0.355 1.00 0.00 C ATOM 375 C GLY A 25 -3.631 -0.055 0.420 1.00 0.00 C ATOM 376 O GLY A 25 -4.269 0.950 0.664 1.00 0.00 O ATOM 0 H GLY A 25 -3.058 -3.018 -0.335 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.822 -1.546 -0.596 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.053 -1.515 1.141 1.00 0.00 H new ATOM 380 N SER A 26 -2.345 -0.009 0.208 1.00 0.00 N ATOM 381 CA SER A 26 -1.627 1.297 0.259 1.00 0.00 C ATOM 382 C SER A 26 -0.273 1.180 -0.446 1.00 0.00 C ATOM 383 O SER A 26 0.423 0.192 -0.318 1.00 0.00 O ATOM 384 CB SER A 26 -1.442 1.583 1.748 1.00 0.00 C ATOM 385 OG SER A 26 -0.076 1.883 2.007 1.00 0.00 O ATOM 0 H SER A 26 -1.760 -0.818 0.002 1.00 0.00 H new ATOM 0 HA SER A 26 -2.174 2.096 -0.242 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.073 2.419 2.050 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.754 0.720 2.336 1.00 0.00 H new ATOM 0 HG SER A 26 0.043 2.068 2.962 1.00 0.00 H new ATOM 391 N ILE A 27 0.104 2.181 -1.191 1.00 0.00 N ATOM 392 CA ILE A 27 1.411 2.129 -1.908 1.00 0.00 C ATOM 393 C ILE A 27 2.360 3.202 -1.360 1.00 0.00 C ATOM 394 O ILE A 27 1.961 4.314 -1.080 1.00 0.00 O ATOM 395 CB ILE A 27 1.055 2.396 -3.378 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.740 1.072 -4.070 1.00 0.00 C ATOM 397 CG2 ILE A 27 2.224 3.074 -4.102 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.605 1.186 -4.787 1.00 0.00 C ATOM 0 H ILE A 27 -0.436 3.034 -1.335 1.00 0.00 H new ATOM 0 HA ILE A 27 1.924 1.176 -1.783 1.00 0.00 H new ATOM 0 HB ILE A 27 0.188 3.055 -3.413 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.526 0.825 -4.784 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.708 0.264 -3.339 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.952 3.255 -5.142 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.452 4.023 -3.616 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.100 2.427 -4.063 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.834 0.243 -5.283 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.386 1.414 -4.061 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.555 1.983 -5.529 1.00 0.00 H new ATOM 410 N SER A 28 3.615 2.874 -1.216 1.00 0.00 N ATOM 411 CA SER A 28 4.594 3.870 -0.697 1.00 0.00 C ATOM 412 C SER A 28 5.653 4.164 -1.764 1.00 0.00 C ATOM 413 O SER A 28 5.881 3.372 -2.657 1.00 0.00 O ATOM 414 CB SER A 28 5.229 3.206 0.523 1.00 0.00 C ATOM 415 OG SER A 28 5.047 4.039 1.660 1.00 0.00 O ATOM 0 H SER A 28 4.005 1.957 -1.436 1.00 0.00 H new ATOM 0 HA SER A 28 4.125 4.820 -0.440 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.776 2.230 0.697 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.292 3.038 0.348 1.00 0.00 H new ATOM 0 HG SER A 28 5.452 3.614 2.445 1.00 0.00 H new ATOM 421 N SER A 29 6.299 5.294 -1.680 1.00 0.00 N ATOM 422 CA SER A 29 7.340 5.633 -2.694 1.00 0.00 C ATOM 423 C SER A 29 8.207 4.407 -2.994 1.00 0.00 C ATOM 424 O SER A 29 8.619 4.185 -4.116 1.00 0.00 O ATOM 425 CB SER A 29 8.176 6.738 -2.049 1.00 0.00 C ATOM 426 OG SER A 29 9.556 6.471 -2.266 1.00 0.00 O ATOM 0 H SER A 29 6.153 5.997 -0.955 1.00 0.00 H new ATOM 0 HA SER A 29 6.905 5.952 -3.641 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.910 7.706 -2.474 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.968 6.791 -0.980 1.00 0.00 H new ATOM 0 HG SER A 29 10.095 7.179 -1.855 1.00 0.00 H new ATOM 432 N SER A 30 8.487 3.609 -2.000 1.00 0.00 N ATOM 433 CA SER A 30 9.328 2.398 -2.229 1.00 0.00 C ATOM 434 C SER A 30 8.534 1.335 -2.994 1.00 0.00 C ATOM 435 O SER A 30 9.032 0.720 -3.916 1.00 0.00 O ATOM 436 CB SER A 30 9.687 1.895 -0.832 1.00 0.00 C ATOM 437 OG SER A 30 10.482 0.723 -0.944 1.00 0.00 O ATOM 0 H SER A 30 8.170 3.742 -1.040 1.00 0.00 H new ATOM 0 HA SER A 30 10.214 2.619 -2.824 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.230 2.665 -0.284 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.780 1.680 -0.266 1.00 0.00 H new ATOM 0 HG SER A 30 10.715 0.399 -0.049 1.00 0.00 H new ATOM 443 N GLU A 31 7.304 1.114 -2.618 1.00 0.00 N ATOM 444 CA GLU A 31 6.483 0.088 -3.325 1.00 0.00 C ATOM 445 C GLU A 31 6.329 0.462 -4.802 1.00 0.00 C ATOM 446 O GLU A 31 6.819 -0.221 -5.679 1.00 0.00 O ATOM 447 CB GLU A 31 5.125 0.108 -2.623 1.00 0.00 C ATOM 448 CG GLU A 31 5.333 0.087 -1.107 1.00 0.00 C ATOM 449 CD GLU A 31 4.143 -0.601 -0.436 1.00 0.00 C ATOM 450 OE1 GLU A 31 3.021 -0.234 -0.742 1.00 0.00 O ATOM 451 OE2 GLU A 31 4.374 -1.485 0.374 1.00 0.00 O ATOM 0 H GLU A 31 6.832 1.598 -1.854 1.00 0.00 H new ATOM 0 HA GLU A 31 6.942 -0.900 -3.292 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.568 0.999 -2.912 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.532 -0.753 -2.931 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.256 -0.440 -0.864 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.438 1.104 -0.730 1.00 0.00 H new ATOM 458 N LEU A 32 5.650 1.540 -5.084 1.00 0.00 N ATOM 459 CA LEU A 32 5.467 1.954 -6.505 1.00 0.00 C ATOM 460 C LEU A 32 6.804 1.897 -7.248 1.00 0.00 C ATOM 461 O LEU A 32 6.894 1.383 -8.345 1.00 0.00 O ATOM 462 CB LEU A 32 4.950 3.390 -6.439 1.00 0.00 C ATOM 463 CG LEU A 32 3.517 3.441 -6.969 1.00 0.00 C ATOM 464 CD1 LEU A 32 2.900 4.804 -6.649 1.00 0.00 C ATOM 465 CD2 LEU A 32 3.527 3.232 -8.486 1.00 0.00 C ATOM 0 H LEU A 32 5.214 2.151 -4.394 1.00 0.00 H new ATOM 0 HA LEU A 32 4.778 1.300 -7.040 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.982 3.752 -5.412 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.591 4.046 -7.029 1.00 0.00 H new ATOM 0 HG LEU A 32 2.928 2.656 -6.495 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.878 4.839 -7.027 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.892 4.956 -5.570 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.489 5.590 -7.122 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.506 3.268 -8.865 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.117 4.018 -8.958 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.965 2.261 -8.717 1.00 0.00 H new ATOM 477 N ALA A 33 7.843 2.422 -6.658 1.00 0.00 N ATOM 478 CA ALA A 33 9.173 2.397 -7.333 1.00 0.00 C ATOM 479 C ALA A 33 9.621 0.952 -7.564 1.00 0.00 C ATOM 480 O ALA A 33 10.424 0.672 -8.431 1.00 0.00 O ATOM 481 CB ALA A 33 10.122 3.103 -6.364 1.00 0.00 C ATOM 0 H ALA A 33 7.829 2.866 -5.740 1.00 0.00 H new ATOM 0 HA ALA A 33 9.150 2.883 -8.309 1.00 0.00 H new ATOM 0 HB1 ALA A 33 11.125 3.126 -6.789 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.776 4.123 -6.194 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.142 2.564 -5.417 1.00 0.00 H new ATOM 487 N THR A 34 9.106 0.031 -6.795 1.00 0.00 N ATOM 488 CA THR A 34 9.504 -1.396 -6.970 1.00 0.00 C ATOM 489 C THR A 34 8.898 -1.959 -8.258 1.00 0.00 C ATOM 490 O THR A 34 9.573 -2.588 -9.049 1.00 0.00 O ATOM 491 CB THR A 34 8.936 -2.119 -5.748 1.00 0.00 C ATOM 492 OG1 THR A 34 9.443 -1.518 -4.564 1.00 0.00 O ATOM 493 CG2 THR A 34 9.343 -3.592 -5.789 1.00 0.00 C ATOM 0 H THR A 34 8.427 0.205 -6.054 1.00 0.00 H new ATOM 0 HA THR A 34 10.584 -1.517 -7.048 1.00 0.00 H new ATOM 0 HB THR A 34 7.849 -2.045 -5.756 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.938 -0.701 -4.370 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.937 -4.106 -4.917 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.952 -4.052 -6.696 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.430 -3.669 -5.782 1.00 0.00 H new ATOM 501 N VAL A 35 7.629 -1.741 -8.475 1.00 0.00 N ATOM 502 CA VAL A 35 6.984 -2.267 -9.712 1.00 0.00 C ATOM 503 C VAL A 35 7.876 -2.002 -10.929 1.00 0.00 C ATOM 504 O VAL A 35 7.810 -2.696 -11.923 1.00 0.00 O ATOM 505 CB VAL A 35 5.668 -1.497 -9.833 1.00 0.00 C ATOM 506 CG1 VAL A 35 5.954 -0.060 -10.270 1.00 0.00 C ATOM 507 CG2 VAL A 35 4.774 -2.177 -10.872 1.00 0.00 C ATOM 0 H VAL A 35 7.012 -1.222 -7.850 1.00 0.00 H new ATOM 0 HA VAL A 35 6.822 -3.344 -9.666 1.00 0.00 H new ATOM 0 HB VAL A 35 5.163 -1.488 -8.867 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.016 0.488 -10.356 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.591 0.425 -9.530 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.460 -0.067 -11.236 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.836 -1.629 -10.959 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.280 -2.186 -11.837 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.568 -3.201 -10.561 1.00 0.00 H new ATOM 517 N MET A 36 8.710 -1.000 -10.856 1.00 0.00 N ATOM 518 CA MET A 36 9.607 -0.690 -12.006 1.00 0.00 C ATOM 519 C MET A 36 11.049 -1.069 -11.665 1.00 0.00 C ATOM 520 O MET A 36 11.767 -1.618 -12.479 1.00 0.00 O ATOM 521 CB MET A 36 9.481 0.821 -12.207 1.00 0.00 C ATOM 522 CG MET A 36 8.586 1.102 -13.415 1.00 0.00 C ATOM 523 SD MET A 36 8.008 2.816 -13.352 1.00 0.00 S ATOM 524 CE MET A 36 6.243 2.468 -13.549 1.00 0.00 C ATOM 0 H MET A 36 8.809 -0.383 -10.050 1.00 0.00 H new ATOM 0 HA MET A 36 9.337 -1.244 -12.905 1.00 0.00 H new ATOM 0 HB2 MET A 36 9.061 1.284 -11.314 1.00 0.00 H new ATOM 0 HB3 MET A 36 10.466 1.262 -12.360 1.00 0.00 H new ATOM 0 HG2 MET A 36 9.138 0.927 -14.339 1.00 0.00 H new ATOM 0 HG3 MET A 36 7.736 0.420 -13.418 1.00 0.00 H new ATOM 0 HE1 MET A 36 5.684 3.404 -13.538 1.00 0.00 H new ATOM 0 HE2 MET A 36 6.077 1.957 -14.497 1.00 0.00 H new ATOM 0 HE3 MET A 36 5.904 1.834 -12.730 1.00 0.00 H new ATOM 534 N ARG A 37 11.480 -0.784 -10.467 1.00 0.00 N ATOM 535 CA ARG A 37 12.876 -1.131 -10.077 1.00 0.00 C ATOM 536 C ARG A 37 13.138 -2.618 -10.325 1.00 0.00 C ATOM 537 O ARG A 37 14.181 -3.001 -10.816 1.00 0.00 O ATOM 538 CB ARG A 37 12.961 -0.812 -8.584 1.00 0.00 C ATOM 539 CG ARG A 37 14.430 -0.691 -8.171 1.00 0.00 C ATOM 540 CD ARG A 37 14.799 0.787 -8.025 1.00 0.00 C ATOM 541 NE ARG A 37 16.270 0.839 -8.256 1.00 0.00 N ATOM 542 CZ ARG A 37 17.085 0.311 -7.384 1.00 0.00 C ATOM 543 NH1 ARG A 37 16.791 0.340 -6.114 1.00 0.00 N ATOM 544 NH2 ARG A 37 18.196 -0.246 -7.785 1.00 0.00 N ATOM 0 H ARG A 37 10.927 -0.327 -9.742 1.00 0.00 H new ATOM 0 HA ARG A 37 13.617 -0.577 -10.654 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.434 0.118 -8.369 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.473 -1.596 -8.005 1.00 0.00 H new ATOM 0 HG2 ARG A 37 14.598 -1.214 -7.229 1.00 0.00 H new ATOM 0 HG3 ARG A 37 15.069 -1.164 -8.917 1.00 0.00 H new ATOM 0 HD2 ARG A 37 14.263 1.401 -8.749 1.00 0.00 H new ATOM 0 HD3 ARG A 37 14.541 1.163 -7.035 1.00 0.00 H new ATOM 0 HE ARG A 37 16.640 1.287 -9.095 1.00 0.00 H new ATOM 0 HH11 ARG A 37 15.923 0.776 -5.801 1.00 0.00 H new ATOM 0 HH12 ARG A 37 17.429 -0.073 -5.433 1.00 0.00 H new ATOM 0 HH21 ARG A 37 18.426 -0.268 -8.779 1.00 0.00 H new ATOM 0 HH22 ARG A 37 18.834 -0.659 -7.105 1.00 0.00 H new ATOM 558 N SER A 38 12.197 -3.459 -9.993 1.00 0.00 N ATOM 559 CA SER A 38 12.392 -4.922 -10.213 1.00 0.00 C ATOM 560 C SER A 38 12.990 -5.169 -11.600 1.00 0.00 C ATOM 561 O SER A 38 14.127 -5.576 -11.733 1.00 0.00 O ATOM 562 CB SER A 38 10.993 -5.527 -10.116 1.00 0.00 C ATOM 563 OG SER A 38 11.085 -6.839 -9.574 1.00 0.00 O ATOM 0 H SER A 38 11.302 -3.198 -9.579 1.00 0.00 H new ATOM 0 HA SER A 38 13.076 -5.363 -9.488 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.358 -4.904 -9.486 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.529 -5.560 -11.102 1.00 0.00 H new ATOM 0 HG SER A 38 10.189 -7.230 -9.509 1.00 0.00 H new ATOM 569 N LEU A 39 12.234 -4.922 -12.635 1.00 0.00 N ATOM 570 CA LEU A 39 12.762 -5.140 -14.012 1.00 0.00 C ATOM 571 C LEU A 39 13.989 -4.255 -14.249 1.00 0.00 C ATOM 572 O LEU A 39 14.763 -4.480 -15.157 1.00 0.00 O ATOM 573 CB LEU A 39 11.619 -4.734 -14.943 1.00 0.00 C ATOM 574 CG LEU A 39 10.925 -5.988 -15.477 1.00 0.00 C ATOM 575 CD1 LEU A 39 10.156 -6.669 -14.344 1.00 0.00 C ATOM 576 CD2 LEU A 39 9.950 -5.594 -16.589 1.00 0.00 C ATOM 0 H LEU A 39 11.275 -4.579 -12.587 1.00 0.00 H new ATOM 0 HA LEU A 39 13.075 -6.171 -14.179 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.904 -4.110 -14.407 1.00 0.00 H new ATOM 0 HB3 LEU A 39 12.004 -4.138 -15.771 1.00 0.00 H new ATOM 0 HG LEU A 39 11.672 -6.676 -15.873 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.662 -7.562 -14.725 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.849 -6.948 -13.550 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.408 -5.982 -13.947 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.454 -6.486 -16.971 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.204 -4.906 -16.192 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.497 -5.109 -17.397 1.00 0.00 H new ATOM 588 N GLY A 40 14.169 -3.251 -13.435 1.00 0.00 N ATOM 589 CA GLY A 40 15.344 -2.351 -13.611 1.00 0.00 C ATOM 590 C GLY A 40 14.911 -0.901 -13.393 1.00 0.00 C ATOM 591 O GLY A 40 14.864 -0.418 -12.281 1.00 0.00 O ATOM 0 H GLY A 40 13.554 -3.015 -12.656 1.00 0.00 H new ATOM 0 HA2 GLY A 40 16.129 -2.618 -12.904 1.00 0.00 H new ATOM 0 HA3 GLY A 40 15.761 -2.471 -14.611 1.00 0.00 H new ATOM 595 N LEU A 41 14.589 -0.205 -14.449 1.00 0.00 N ATOM 596 CA LEU A 41 14.154 1.215 -14.306 1.00 0.00 C ATOM 597 C LEU A 41 15.102 1.973 -13.373 1.00 0.00 C ATOM 598 O LEU A 41 16.096 1.446 -12.915 1.00 0.00 O ATOM 599 CB LEU A 41 12.758 1.142 -13.688 1.00 0.00 C ATOM 600 CG LEU A 41 11.743 1.831 -14.605 1.00 0.00 C ATOM 601 CD1 LEU A 41 12.181 3.271 -14.882 1.00 0.00 C ATOM 602 CD2 LEU A 41 11.647 1.063 -15.925 1.00 0.00 C ATOM 0 H LEU A 41 14.608 -0.558 -15.406 1.00 0.00 H new ATOM 0 HA LEU A 41 14.157 1.740 -15.261 1.00 0.00 H new ATOM 0 HB2 LEU A 41 12.473 0.101 -13.534 1.00 0.00 H new ATOM 0 HB3 LEU A 41 12.759 1.620 -12.709 1.00 0.00 H new ATOM 0 HG LEU A 41 10.769 1.843 -14.116 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.454 3.753 -15.535 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.245 3.819 -13.942 1.00 0.00 H new ATOM 0 HD13 LEU A 41 13.157 3.267 -15.367 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.925 1.552 -16.579 1.00 0.00 H new ATOM 0 HD22 LEU A 41 12.623 1.048 -16.409 1.00 0.00 H new ATOM 0 HD23 LEU A 41 11.324 0.041 -15.728 1.00 0.00 H new ATOM 614 N SER A 42 14.796 3.209 -13.087 1.00 0.00 N ATOM 615 CA SER A 42 15.670 4.004 -12.179 1.00 0.00 C ATOM 616 C SER A 42 15.033 5.368 -11.892 1.00 0.00 C ATOM 617 O SER A 42 15.664 6.392 -12.062 1.00 0.00 O ATOM 618 CB SER A 42 16.981 4.177 -12.944 1.00 0.00 C ATOM 619 OG SER A 42 17.895 4.920 -12.148 1.00 0.00 O ATOM 0 H SER A 42 13.978 3.703 -13.443 1.00 0.00 H new ATOM 0 HA SER A 42 15.820 3.514 -11.217 1.00 0.00 H new ATOM 0 HB2 SER A 42 17.403 3.203 -13.189 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.800 4.693 -13.887 1.00 0.00 H new ATOM 0 HG SER A 42 17.481 5.766 -11.879 1.00 0.00 H new ATOM 625 N PRO A 43 13.797 5.336 -11.462 1.00 0.00 N ATOM 626 CA PRO A 43 13.073 6.593 -11.147 1.00 0.00 C ATOM 627 C PRO A 43 13.611 7.206 -9.852 1.00 0.00 C ATOM 628 O PRO A 43 13.581 6.591 -8.804 1.00 0.00 O ATOM 629 CB PRO A 43 11.627 6.139 -10.970 1.00 0.00 C ATOM 630 CG PRO A 43 11.719 4.698 -10.584 1.00 0.00 C ATOM 631 CD PRO A 43 12.965 4.148 -11.229 1.00 0.00 C ATOM 0 HA PRO A 43 13.184 7.357 -11.917 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.121 6.722 -10.200 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.058 6.265 -11.891 1.00 0.00 H new ATOM 0 HG2 PRO A 43 11.766 4.591 -9.500 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.838 4.152 -10.920 1.00 0.00 H new ATOM 0 HD2 PRO A 43 13.467 3.430 -10.580 1.00 0.00 H new ATOM 0 HD3 PRO A 43 12.737 3.631 -12.161 1.00 0.00 H new ATOM 639 N SER A 44 14.098 8.414 -9.912 1.00 0.00 N ATOM 640 CA SER A 44 14.633 9.062 -8.681 1.00 0.00 C ATOM 641 C SER A 44 13.477 9.510 -7.783 1.00 0.00 C ATOM 642 O SER A 44 12.386 9.764 -8.252 1.00 0.00 O ATOM 643 CB SER A 44 15.425 10.269 -9.180 1.00 0.00 C ATOM 644 OG SER A 44 14.984 10.612 -10.487 1.00 0.00 O ATOM 0 H SER A 44 14.149 8.980 -10.759 1.00 0.00 H new ATOM 0 HA SER A 44 15.253 8.387 -8.091 1.00 0.00 H new ATOM 0 HB2 SER A 44 15.288 11.113 -8.504 1.00 0.00 H new ATOM 0 HB3 SER A 44 16.491 10.040 -9.192 1.00 0.00 H new ATOM 0 HG SER A 44 14.033 10.847 -10.460 1.00 0.00 H new ATOM 650 N GLU A 45 13.713 9.602 -6.498 1.00 0.00 N ATOM 651 CA GLU A 45 12.638 10.029 -5.551 1.00 0.00 C ATOM 652 C GLU A 45 11.716 11.059 -6.208 1.00 0.00 C ATOM 653 O GLU A 45 10.509 10.926 -6.179 1.00 0.00 O ATOM 654 CB GLU A 45 13.381 10.654 -4.370 1.00 0.00 C ATOM 655 CG GLU A 45 12.413 10.843 -3.200 1.00 0.00 C ATOM 656 CD GLU A 45 12.155 9.492 -2.528 1.00 0.00 C ATOM 657 OE1 GLU A 45 12.676 8.501 -3.014 1.00 0.00 O ATOM 658 OE2 GLU A 45 11.440 9.472 -1.539 1.00 0.00 O ATOM 0 H GLU A 45 14.612 9.398 -6.061 1.00 0.00 H new ATOM 0 HA GLU A 45 12.006 9.194 -5.247 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.211 10.015 -4.069 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.807 11.614 -4.662 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.830 11.546 -2.479 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.475 11.270 -3.555 1.00 0.00 H new ATOM 665 N ALA A 46 12.270 12.076 -6.807 1.00 0.00 N ATOM 666 CA ALA A 46 11.413 13.101 -7.471 1.00 0.00 C ATOM 667 C ALA A 46 10.296 12.410 -8.256 1.00 0.00 C ATOM 668 O ALA A 46 9.127 12.655 -8.039 1.00 0.00 O ATOM 669 CB ALA A 46 12.350 13.855 -8.414 1.00 0.00 C ATOM 0 H ALA A 46 13.275 12.243 -6.866 1.00 0.00 H new ATOM 0 HA ALA A 46 10.936 13.773 -6.757 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.791 14.629 -8.941 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.152 14.316 -7.838 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.776 13.159 -9.137 1.00 0.00 H new ATOM 675 N GLU A 47 10.648 11.537 -9.161 1.00 0.00 N ATOM 676 CA GLU A 47 9.605 10.820 -9.950 1.00 0.00 C ATOM 677 C GLU A 47 8.918 9.779 -9.063 1.00 0.00 C ATOM 678 O GLU A 47 7.709 9.680 -9.022 1.00 0.00 O ATOM 679 CB GLU A 47 10.365 10.141 -11.090 1.00 0.00 C ATOM 680 CG GLU A 47 11.129 11.195 -11.894 1.00 0.00 C ATOM 681 CD GLU A 47 10.152 11.963 -12.787 1.00 0.00 C ATOM 682 OE1 GLU A 47 9.268 11.332 -13.343 1.00 0.00 O ATOM 683 OE2 GLU A 47 10.304 13.168 -12.899 1.00 0.00 O ATOM 0 H GLU A 47 11.611 11.290 -9.388 1.00 0.00 H new ATOM 0 HA GLU A 47 8.830 11.487 -10.327 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.058 9.401 -10.689 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.669 9.608 -11.738 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.639 11.883 -11.220 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.896 10.717 -12.503 1.00 0.00 H new ATOM 690 N VAL A 48 9.688 9.007 -8.343 1.00 0.00 N ATOM 691 CA VAL A 48 9.091 7.977 -7.445 1.00 0.00 C ATOM 692 C VAL A 48 8.058 8.628 -6.526 1.00 0.00 C ATOM 693 O VAL A 48 6.866 8.424 -6.658 1.00 0.00 O ATOM 694 CB VAL A 48 10.272 7.452 -6.627 1.00 0.00 C ATOM 695 CG1 VAL A 48 9.807 6.322 -5.710 1.00 0.00 C ATOM 696 CG2 VAL A 48 11.350 6.927 -7.571 1.00 0.00 C ATOM 0 H VAL A 48 10.707 9.046 -8.338 1.00 0.00 H new ATOM 0 HA VAL A 48 8.582 7.184 -7.993 1.00 0.00 H new ATOM 0 HB VAL A 48 10.677 8.263 -6.021 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.653 5.953 -5.130 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.039 6.696 -5.033 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.397 5.511 -6.312 1.00 0.00 H new ATOM 0 HG21 VAL A 48 12.192 6.553 -6.989 1.00 0.00 H new ATOM 0 HG22 VAL A 48 10.940 6.119 -8.178 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.688 7.734 -8.221 1.00 0.00 H new ATOM 706 N ASN A 49 8.515 9.418 -5.597 1.00 0.00 N ATOM 707 CA ASN A 49 7.585 10.101 -4.662 1.00 0.00 C ATOM 708 C ASN A 49 6.503 10.843 -5.459 1.00 0.00 C ATOM 709 O ASN A 49 5.349 10.871 -5.080 1.00 0.00 O ATOM 710 CB ASN A 49 8.489 11.067 -3.885 1.00 0.00 C ATOM 711 CG ASN A 49 7.731 12.350 -3.525 1.00 0.00 C ATOM 712 OD1 ASN A 49 6.958 12.369 -2.588 1.00 0.00 O ATOM 713 ND2 ASN A 49 7.922 13.428 -4.234 1.00 0.00 N ATOM 0 H ASN A 49 9.503 9.621 -5.445 1.00 0.00 H new ATOM 0 HA ASN A 49 7.054 9.422 -3.994 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.849 10.584 -2.976 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.366 11.313 -4.484 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.422 14.286 -4.002 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.571 13.413 -5.021 1.00 0.00 H new ATOM 720 N ASP A 50 6.868 11.437 -6.563 1.00 0.00 N ATOM 721 CA ASP A 50 5.858 12.168 -7.381 1.00 0.00 C ATOM 722 C ASP A 50 4.729 11.216 -7.782 1.00 0.00 C ATOM 723 O ASP A 50 3.564 11.502 -7.588 1.00 0.00 O ATOM 724 CB ASP A 50 6.620 12.652 -8.616 1.00 0.00 C ATOM 725 CG ASP A 50 5.624 13.056 -9.706 1.00 0.00 C ATOM 726 OD1 ASP A 50 5.232 14.212 -9.722 1.00 0.00 O ATOM 727 OD2 ASP A 50 5.273 12.205 -10.505 1.00 0.00 O ATOM 0 H ASP A 50 7.819 11.448 -6.933 1.00 0.00 H new ATOM 0 HA ASP A 50 5.402 12.997 -6.839 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.254 13.500 -8.356 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.277 11.863 -8.983 1.00 0.00 H new ATOM 732 N LEU A 51 5.065 10.083 -8.336 1.00 0.00 N ATOM 733 CA LEU A 51 4.009 9.112 -8.742 1.00 0.00 C ATOM 734 C LEU A 51 3.052 8.870 -7.573 1.00 0.00 C ATOM 735 O LEU A 51 1.852 8.998 -7.704 1.00 0.00 O ATOM 736 CB LEU A 51 4.763 7.830 -9.095 1.00 0.00 C ATOM 737 CG LEU A 51 4.195 7.244 -10.389 1.00 0.00 C ATOM 738 CD1 LEU A 51 5.064 6.070 -10.844 1.00 0.00 C ATOM 739 CD2 LEU A 51 2.766 6.752 -10.141 1.00 0.00 C ATOM 0 H LEU A 51 6.023 9.788 -8.525 1.00 0.00 H new ATOM 0 HA LEU A 51 3.410 9.471 -9.579 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.826 8.042 -9.215 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.671 7.107 -8.285 1.00 0.00 H new ATOM 0 HG LEU A 51 4.188 8.012 -11.162 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.659 5.653 -11.766 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.082 6.418 -11.020 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.071 5.302 -10.071 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.360 6.334 -11.062 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.775 5.984 -9.367 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.145 7.587 -9.817 1.00 0.00 H new ATOM 751 N MET A 52 3.576 8.529 -6.427 1.00 0.00 N ATOM 752 CA MET A 52 2.695 8.288 -5.249 1.00 0.00 C ATOM 753 C MET A 52 1.841 9.531 -4.976 1.00 0.00 C ATOM 754 O MET A 52 0.646 9.443 -4.774 1.00 0.00 O ATOM 755 CB MET A 52 3.654 8.021 -4.085 1.00 0.00 C ATOM 756 CG MET A 52 2.933 8.247 -2.754 1.00 0.00 C ATOM 757 SD MET A 52 3.208 9.949 -2.202 1.00 0.00 S ATOM 758 CE MET A 52 4.975 9.790 -1.849 1.00 0.00 C ATOM 0 H MET A 52 4.574 8.407 -6.256 1.00 0.00 H new ATOM 0 HA MET A 52 2.008 7.456 -5.403 1.00 0.00 H new ATOM 0 HB2 MET A 52 4.027 6.998 -4.137 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.519 8.680 -4.157 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.866 8.059 -2.869 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.301 7.546 -2.005 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.227 10.392 -0.976 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.214 8.745 -1.651 1.00 0.00 H new ATOM 0 HE3 MET A 52 5.550 10.137 -2.707 1.00 0.00 H new ATOM 768 N ASN A 53 2.447 10.687 -4.970 1.00 0.00 N ATOM 769 CA ASN A 53 1.671 11.934 -4.712 1.00 0.00 C ATOM 770 C ASN A 53 0.603 12.126 -5.791 1.00 0.00 C ATOM 771 O ASN A 53 -0.554 12.356 -5.498 1.00 0.00 O ATOM 772 CB ASN A 53 2.703 13.061 -4.772 1.00 0.00 C ATOM 773 CG ASN A 53 2.722 13.809 -3.437 1.00 0.00 C ATOM 774 OD1 ASN A 53 1.752 13.794 -2.706 1.00 0.00 O ATOM 775 ND2 ASN A 53 3.794 14.467 -3.087 1.00 0.00 N ATOM 0 H ASN A 53 3.445 10.822 -5.132 1.00 0.00 H new ATOM 0 HA ASN A 53 1.152 11.907 -3.754 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.691 12.653 -4.986 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.460 13.748 -5.582 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.817 14.969 -2.199 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.608 14.479 -3.701 1.00 0.00 H new ATOM 782 N GLU A 54 0.981 12.031 -7.037 1.00 0.00 N ATOM 783 CA GLU A 54 -0.015 12.207 -8.132 1.00 0.00 C ATOM 784 C GLU A 54 -1.311 11.468 -7.790 1.00 0.00 C ATOM 785 O GLU A 54 -2.395 11.915 -8.106 1.00 0.00 O ATOM 786 CB GLU A 54 0.642 11.592 -9.369 1.00 0.00 C ATOM 787 CG GLU A 54 1.702 12.551 -9.914 1.00 0.00 C ATOM 788 CD GLU A 54 1.035 13.588 -10.820 1.00 0.00 C ATOM 789 OE1 GLU A 54 0.129 13.215 -11.546 1.00 0.00 O ATOM 790 OE2 GLU A 54 1.441 14.737 -10.771 1.00 0.00 O ATOM 0 H GLU A 54 1.935 11.839 -7.344 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.277 13.254 -8.288 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.098 10.636 -9.114 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.110 11.393 -10.132 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.215 13.048 -9.091 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.457 11.997 -10.472 1.00 0.00 H new ATOM 797 N ILE A 55 -1.206 10.339 -7.142 1.00 0.00 N ATOM 798 CA ILE A 55 -2.432 9.573 -6.778 1.00 0.00 C ATOM 799 C ILE A 55 -2.736 9.745 -5.287 1.00 0.00 C ATOM 800 O ILE A 55 -3.834 9.487 -4.833 1.00 0.00 O ATOM 801 CB ILE A 55 -2.096 8.115 -7.092 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.620 8.005 -8.542 1.00 0.00 C ATOM 803 CG2 ILE A 55 -3.344 7.251 -6.899 1.00 0.00 C ATOM 804 CD1 ILE A 55 -0.227 7.374 -8.577 1.00 0.00 C ATOM 0 H ILE A 55 -0.326 9.915 -6.850 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.311 9.914 -7.324 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.308 7.770 -6.422 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.319 7.401 -9.120 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.595 8.992 -9.003 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.105 6.211 -7.123 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.686 7.331 -5.867 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.132 7.595 -7.570 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.111 7.296 -9.610 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.468 7.996 -8.013 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.267 6.380 -8.132 1.00 0.00 H new ATOM 816 N ASP A 56 -1.772 10.180 -4.522 1.00 0.00 N ATOM 817 CA ASP A 56 -2.006 10.370 -3.062 1.00 0.00 C ATOM 818 C ASP A 56 -3.040 11.475 -2.832 1.00 0.00 C ATOM 819 O ASP A 56 -2.699 12.624 -2.632 1.00 0.00 O ATOM 820 CB ASP A 56 -0.647 10.778 -2.492 1.00 0.00 C ATOM 821 CG ASP A 56 -0.700 10.733 -0.964 1.00 0.00 C ATOM 822 OD1 ASP A 56 -1.765 10.458 -0.435 1.00 0.00 O ATOM 823 OD2 ASP A 56 0.325 10.975 -0.349 1.00 0.00 O ATOM 0 H ASP A 56 -0.833 10.412 -4.845 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.393 9.470 -2.585 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.130 10.107 -2.859 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.386 11.782 -2.828 1.00 0.00 H new ATOM 828 N VAL A 57 -4.300 11.138 -2.862 1.00 0.00 N ATOM 829 CA VAL A 57 -5.354 12.170 -2.647 1.00 0.00 C ATOM 830 C VAL A 57 -5.236 12.761 -1.239 1.00 0.00 C ATOM 831 O VAL A 57 -5.499 13.927 -1.021 1.00 0.00 O ATOM 832 CB VAL A 57 -6.678 11.424 -2.808 1.00 0.00 C ATOM 833 CG1 VAL A 57 -6.810 10.920 -4.246 1.00 0.00 C ATOM 834 CG2 VAL A 57 -6.713 10.233 -1.848 1.00 0.00 C ATOM 0 H VAL A 57 -4.646 10.192 -3.026 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.268 13.001 -3.347 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.503 12.099 -2.582 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.755 10.388 -4.360 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.785 11.767 -4.932 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.984 10.246 -4.472 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.657 9.701 -1.963 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.887 9.559 -2.074 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.620 10.590 -0.822 1.00 0.00 H new ATOM 844 N ASP A 58 -4.844 11.966 -0.282 1.00 0.00 N ATOM 845 CA ASP A 58 -4.710 12.483 1.110 1.00 0.00 C ATOM 846 C ASP A 58 -3.369 13.204 1.279 1.00 0.00 C ATOM 847 O ASP A 58 -3.275 14.210 1.952 1.00 0.00 O ATOM 848 CB ASP A 58 -4.768 11.241 2.001 1.00 0.00 C ATOM 849 CG ASP A 58 -5.925 10.346 1.556 1.00 0.00 C ATOM 850 OD1 ASP A 58 -7.060 10.693 1.839 1.00 0.00 O ATOM 851 OD2 ASP A 58 -5.657 9.328 0.939 1.00 0.00 O ATOM 0 H ASP A 58 -4.611 10.981 -0.403 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.490 13.201 1.361 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.827 10.694 1.941 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.901 11.534 3.043 1.00 0.00 H new ATOM 856 N GLY A 59 -2.332 12.695 0.671 1.00 0.00 N ATOM 857 CA GLY A 59 -1.000 13.351 0.796 1.00 0.00 C ATOM 858 C GLY A 59 -0.233 12.733 1.966 1.00 0.00 C ATOM 859 O GLY A 59 0.331 13.428 2.787 1.00 0.00 O ATOM 0 H GLY A 59 -2.350 11.854 0.094 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.435 13.229 -0.128 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.124 14.422 0.954 1.00 0.00 H new ATOM 863 N ASN A 60 -0.204 11.431 2.048 1.00 0.00 N ATOM 864 CA ASN A 60 0.528 10.770 3.166 1.00 0.00 C ATOM 865 C ASN A 60 1.723 9.981 2.622 1.00 0.00 C ATOM 866 O ASN A 60 2.101 8.960 3.161 1.00 0.00 O ATOM 867 CB ASN A 60 -0.491 9.827 3.806 1.00 0.00 C ATOM 868 CG ASN A 60 -1.059 8.888 2.740 1.00 0.00 C ATOM 869 OD1 ASN A 60 -1.691 9.328 1.801 1.00 0.00 O ATOM 870 ND2 ASN A 60 -0.857 7.603 2.846 1.00 0.00 N ATOM 0 H ASN A 60 -0.655 10.796 1.389 1.00 0.00 H new ATOM 0 HA ASN A 60 0.922 11.490 3.883 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.018 9.249 4.600 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.295 10.402 4.265 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.230 6.968 2.140 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.326 7.234 3.635 1.00 0.00 H new ATOM 877 N HIS A 61 2.314 10.445 1.553 1.00 0.00 N ATOM 878 CA HIS A 61 3.483 9.725 0.967 1.00 0.00 C ATOM 879 C HIS A 61 3.050 8.354 0.435 1.00 0.00 C ATOM 880 O HIS A 61 3.867 7.546 0.041 1.00 0.00 O ATOM 881 CB HIS A 61 4.479 9.562 2.117 1.00 0.00 C ATOM 882 CG HIS A 61 4.576 10.851 2.889 1.00 0.00 C ATOM 883 ND1 HIS A 61 4.195 12.068 2.347 1.00 0.00 N ATOM 884 CD2 HIS A 61 5.008 11.126 4.163 1.00 0.00 C ATOM 885 CE1 HIS A 61 4.404 13.012 3.283 1.00 0.00 C ATOM 886 NE2 HIS A 61 4.898 12.492 4.410 1.00 0.00 N ATOM 0 H HIS A 61 2.037 11.293 1.059 1.00 0.00 H new ATOM 0 HA HIS A 61 3.919 10.270 0.129 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.160 8.755 2.776 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.458 9.286 1.727 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.377 10.394 4.866 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.197 14.062 3.140 1.00 0.00 H new ATOM 0 HE2 HIS A 61 5.142 12.989 5.267 1.00 0.00 H new ATOM 894 N GLN A 62 1.772 8.088 0.421 1.00 0.00 N ATOM 895 CA GLN A 62 1.284 6.773 -0.085 1.00 0.00 C ATOM 896 C GLN A 62 -0.153 6.909 -0.591 1.00 0.00 C ATOM 897 O GLN A 62 -0.879 7.799 -0.194 1.00 0.00 O ATOM 898 CB GLN A 62 1.331 5.833 1.122 1.00 0.00 C ATOM 899 CG GLN A 62 2.700 5.922 1.799 1.00 0.00 C ATOM 900 CD GLN A 62 2.801 4.854 2.890 1.00 0.00 C ATOM 901 OE1 GLN A 62 3.147 5.148 4.015 1.00 0.00 O ATOM 902 NE2 GLN A 62 2.510 3.615 2.600 1.00 0.00 N ATOM 0 H GLN A 62 1.043 8.726 0.739 1.00 0.00 H new ATOM 0 HA GLN A 62 1.888 6.402 -0.913 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.547 6.098 1.831 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.139 4.808 0.804 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.491 5.781 1.063 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.840 6.913 2.231 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.219 3.367 1.654 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.574 2.894 3.319 1.00 0.00 H new ATOM 911 N ILE A 63 -0.573 6.033 -1.461 1.00 0.00 N ATOM 912 CA ILE A 63 -1.963 6.114 -1.986 1.00 0.00 C ATOM 913 C ILE A 63 -2.672 4.769 -1.817 1.00 0.00 C ATOM 914 O ILE A 63 -2.048 3.727 -1.782 1.00 0.00 O ATOM 915 CB ILE A 63 -1.809 6.458 -3.468 1.00 0.00 C ATOM 916 CG1 ILE A 63 -1.361 5.217 -4.240 1.00 0.00 C ATOM 917 CG2 ILE A 63 -0.769 7.566 -3.634 1.00 0.00 C ATOM 918 CD1 ILE A 63 -2.595 4.451 -4.722 1.00 0.00 C ATOM 0 H ILE A 63 -0.013 5.265 -1.831 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.561 6.856 -1.457 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.767 6.801 -3.858 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.743 5.506 -5.090 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.748 4.579 -3.603 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.662 7.809 -4.691 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.092 8.453 -3.089 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.189 7.227 -3.240 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.281 3.565 -5.273 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.195 4.150 -3.863 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.189 5.092 -5.373 1.00 0.00 H new ATOM 930 N GLU A 64 -3.973 4.781 -1.724 1.00 0.00 N ATOM 931 CA GLU A 64 -4.721 3.502 -1.570 1.00 0.00 C ATOM 932 C GLU A 64 -5.257 3.056 -2.931 1.00 0.00 C ATOM 933 O GLU A 64 -5.050 3.712 -3.932 1.00 0.00 O ATOM 934 CB GLU A 64 -5.870 3.823 -0.614 1.00 0.00 C ATOM 935 CG GLU A 64 -5.345 4.652 0.559 1.00 0.00 C ATOM 936 CD GLU A 64 -5.884 4.081 1.871 1.00 0.00 C ATOM 937 OE1 GLU A 64 -7.087 3.894 1.964 1.00 0.00 O ATOM 938 OE2 GLU A 64 -5.086 3.839 2.762 1.00 0.00 O ATOM 0 H GLU A 64 -4.550 5.621 -1.748 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.097 2.694 -1.187 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.651 4.372 -1.140 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.320 2.900 -0.248 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.255 4.641 0.566 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.653 5.692 0.449 1.00 0.00 H new ATOM 945 N PHE A 65 -5.942 1.948 -2.983 1.00 0.00 N ATOM 946 CA PHE A 65 -6.479 1.479 -4.292 1.00 0.00 C ATOM 947 C PHE A 65 -7.376 2.552 -4.914 1.00 0.00 C ATOM 948 O PHE A 65 -7.008 3.194 -5.876 1.00 0.00 O ATOM 949 CB PHE A 65 -7.294 0.228 -3.975 1.00 0.00 C ATOM 950 CG PHE A 65 -8.053 -0.170 -5.214 1.00 0.00 C ATOM 951 CD1 PHE A 65 -7.354 -0.511 -6.376 1.00 0.00 C ATOM 952 CD2 PHE A 65 -9.452 -0.183 -5.207 1.00 0.00 C ATOM 953 CE1 PHE A 65 -8.052 -0.867 -7.532 1.00 0.00 C ATOM 954 CE2 PHE A 65 -10.151 -0.538 -6.366 1.00 0.00 C ATOM 955 CZ PHE A 65 -9.451 -0.880 -7.528 1.00 0.00 C ATOM 0 H PHE A 65 -6.152 1.351 -2.183 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.681 1.273 -5.006 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.638 -0.582 -3.656 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.984 0.422 -3.154 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.274 -0.499 -6.380 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.991 0.080 -4.309 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.512 -1.132 -8.429 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.231 -0.548 -6.364 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.991 -1.154 -8.422 1.00 0.00 H new ATOM 965 N SER A 66 -8.554 2.736 -4.374 1.00 0.00 N ATOM 966 CA SER A 66 -9.496 3.759 -4.923 1.00 0.00 C ATOM 967 C SER A 66 -8.735 4.984 -5.442 1.00 0.00 C ATOM 968 O SER A 66 -9.053 5.525 -6.483 1.00 0.00 O ATOM 969 CB SER A 66 -10.386 4.146 -3.743 1.00 0.00 C ATOM 970 OG SER A 66 -9.824 5.271 -3.080 1.00 0.00 O ATOM 0 H SER A 66 -8.907 2.217 -3.570 1.00 0.00 H new ATOM 0 HA SER A 66 -10.068 3.371 -5.766 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.392 4.380 -4.093 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.476 3.309 -3.051 1.00 0.00 H new ATOM 0 HG SER A 66 -9.003 5.002 -2.617 1.00 0.00 H new ATOM 976 N GLU A 67 -7.726 5.422 -4.737 1.00 0.00 N ATOM 977 CA GLU A 67 -6.951 6.603 -5.211 1.00 0.00 C ATOM 978 C GLU A 67 -6.267 6.259 -6.534 1.00 0.00 C ATOM 979 O GLU A 67 -6.267 7.034 -7.469 1.00 0.00 O ATOM 980 CB GLU A 67 -5.920 6.872 -4.116 1.00 0.00 C ATOM 981 CG GLU A 67 -6.634 7.002 -2.770 1.00 0.00 C ATOM 982 CD GLU A 67 -5.683 7.621 -1.743 1.00 0.00 C ATOM 983 OE1 GLU A 67 -4.655 8.135 -2.153 1.00 0.00 O ATOM 984 OE2 GLU A 67 -5.998 7.571 -0.566 1.00 0.00 O ATOM 0 H GLU A 67 -7.407 5.015 -3.858 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.577 7.478 -5.387 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.193 6.061 -4.078 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.368 7.785 -4.337 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.524 7.622 -2.877 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.968 6.022 -2.428 1.00 0.00 H new ATOM 991 N PHE A 68 -5.698 5.088 -6.621 1.00 0.00 N ATOM 992 CA PHE A 68 -5.030 4.673 -7.885 1.00 0.00 C ATOM 993 C PHE A 68 -6.047 4.717 -9.030 1.00 0.00 C ATOM 994 O PHE A 68 -5.713 5.005 -10.162 1.00 0.00 O ATOM 995 CB PHE A 68 -4.554 3.240 -7.614 1.00 0.00 C ATOM 996 CG PHE A 68 -4.417 2.476 -8.912 1.00 0.00 C ATOM 997 CD1 PHE A 68 -3.647 2.999 -9.957 1.00 0.00 C ATOM 998 CD2 PHE A 68 -5.058 1.242 -9.064 1.00 0.00 C ATOM 999 CE1 PHE A 68 -3.519 2.286 -11.155 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -4.930 0.529 -10.262 1.00 0.00 C ATOM 1001 CZ PHE A 68 -4.160 1.051 -11.307 1.00 0.00 C ATOM 0 H PHE A 68 -5.667 4.400 -5.869 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.201 5.320 -8.173 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.596 3.260 -7.094 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.262 2.733 -6.959 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.152 3.952 -9.839 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.652 0.839 -8.257 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.925 2.689 -11.962 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.425 -0.423 -10.379 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.060 0.501 -12.231 1.00 0.00 H new ATOM 1011 N LEU A 69 -7.290 4.443 -8.737 1.00 0.00 N ATOM 1012 CA LEU A 69 -8.335 4.479 -9.799 1.00 0.00 C ATOM 1013 C LEU A 69 -8.618 5.929 -10.196 1.00 0.00 C ATOM 1014 O LEU A 69 -8.894 6.230 -11.340 1.00 0.00 O ATOM 1015 CB LEU A 69 -9.574 3.851 -9.157 1.00 0.00 C ATOM 1016 CG LEU A 69 -9.533 2.333 -9.335 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -9.802 1.982 -10.799 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -8.153 1.809 -8.932 1.00 0.00 C ATOM 0 H LEU A 69 -7.627 4.196 -7.806 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.032 3.948 -10.701 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.613 4.102 -8.097 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.477 4.256 -9.614 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.295 1.874 -8.705 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.773 0.900 -10.925 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.785 2.354 -11.088 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.040 2.441 -11.429 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.123 0.727 -9.059 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.391 2.269 -9.561 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.960 2.057 -7.888 1.00 0.00 H new ATOM 1030 N ALA A 70 -8.548 6.830 -9.253 1.00 0.00 N ATOM 1031 CA ALA A 70 -8.809 8.263 -9.565 1.00 0.00 C ATOM 1032 C ALA A 70 -7.781 8.780 -10.576 1.00 0.00 C ATOM 1033 O ALA A 70 -8.120 9.437 -11.539 1.00 0.00 O ATOM 1034 CB ALA A 70 -8.659 8.988 -8.227 1.00 0.00 C ATOM 0 H ALA A 70 -8.321 6.634 -8.278 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.793 8.420 -10.007 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.836 10.054 -8.369 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.383 8.591 -7.515 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.651 8.836 -7.842 1.00 0.00 H new ATOM 1040 N LEU A 71 -6.528 8.487 -10.362 1.00 0.00 N ATOM 1041 CA LEU A 71 -5.479 8.960 -11.311 1.00 0.00 C ATOM 1042 C LEU A 71 -5.345 7.984 -12.482 1.00 0.00 C ATOM 1043 O LEU A 71 -5.197 8.381 -13.621 1.00 0.00 O ATOM 1044 CB LEU A 71 -4.189 8.994 -10.491 1.00 0.00 C ATOM 1045 CG LEU A 71 -3.707 10.439 -10.356 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -3.253 10.957 -11.722 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -4.853 11.311 -9.837 1.00 0.00 C ATOM 0 H LEU A 71 -6.185 7.941 -9.572 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.717 9.935 -11.737 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.361 8.564 -9.505 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.423 8.388 -10.974 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.872 10.479 -9.657 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.910 11.987 -11.625 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.438 10.336 -12.094 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.088 10.917 -12.422 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.511 12.341 -9.740 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.687 11.270 -10.537 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.178 10.944 -8.864 1.00 0.00 H new ATOM 1059 N MET A 72 -5.396 6.708 -12.212 1.00 0.00 N ATOM 1060 CA MET A 72 -5.271 5.706 -13.311 1.00 0.00 C ATOM 1061 C MET A 72 -6.462 5.819 -14.268 1.00 0.00 C ATOM 1062 O MET A 72 -6.349 6.350 -15.354 1.00 0.00 O ATOM 1063 CB MET A 72 -5.273 4.347 -12.609 1.00 0.00 C ATOM 1064 CG MET A 72 -5.155 3.234 -13.653 1.00 0.00 C ATOM 1065 SD MET A 72 -3.540 3.335 -14.463 1.00 0.00 S ATOM 1066 CE MET A 72 -3.192 1.560 -14.497 1.00 0.00 C ATOM 0 H MET A 72 -5.519 6.315 -11.279 1.00 0.00 H new ATOM 0 HA MET A 72 -4.371 5.856 -13.907 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.444 4.289 -11.904 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.190 4.224 -12.033 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.275 2.261 -13.177 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.951 3.328 -14.392 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.742 1.296 -15.454 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.503 1.309 -13.691 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.121 1.005 -14.367 1.00 0.00 H new ATOM 1076 N SER A 73 -7.602 5.323 -13.872 1.00 0.00 N ATOM 1077 CA SER A 73 -8.797 5.401 -14.759 1.00 0.00 C ATOM 1078 C SER A 73 -9.017 6.843 -15.225 1.00 0.00 C ATOM 1079 O SER A 73 -8.303 7.746 -14.837 1.00 0.00 O ATOM 1080 CB SER A 73 -9.966 4.934 -13.892 1.00 0.00 C ATOM 1081 OG SER A 73 -10.599 6.065 -13.309 1.00 0.00 O ATOM 0 H SER A 73 -7.758 4.867 -12.973 1.00 0.00 H new ATOM 0 HA SER A 73 -8.686 4.791 -15.655 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.680 4.374 -14.495 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.610 4.260 -13.113 1.00 0.00 H new ATOM 0 HG SER A 73 -10.283 6.178 -12.388 1.00 0.00 H new ATOM 1087 N ARG A 74 -10.001 7.064 -16.053 1.00 0.00 N ATOM 1088 CA ARG A 74 -10.265 8.448 -16.543 1.00 0.00 C ATOM 1089 C ARG A 74 -11.663 8.901 -16.113 1.00 0.00 C ATOM 1090 O ARG A 74 -12.113 8.610 -15.023 1.00 0.00 O ATOM 1091 CB ARG A 74 -10.176 8.352 -18.066 1.00 0.00 C ATOM 1092 CG ARG A 74 -8.932 7.550 -18.456 1.00 0.00 C ATOM 1093 CD ARG A 74 -8.756 7.584 -19.975 1.00 0.00 C ATOM 1094 NE ARG A 74 -7.342 7.182 -20.207 1.00 0.00 N ATOM 1095 CZ ARG A 74 -6.641 7.767 -21.139 1.00 0.00 C ATOM 1096 NH1 ARG A 74 -6.987 7.642 -22.391 1.00 0.00 N ATOM 1097 NH2 ARG A 74 -5.594 8.477 -20.820 1.00 0.00 N ATOM 0 H ARG A 74 -10.633 6.348 -16.411 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.558 9.173 -16.139 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -11.070 7.872 -18.463 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -10.129 9.350 -18.502 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -8.051 7.966 -17.968 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.029 6.520 -18.114 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.447 6.900 -20.468 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -8.954 8.579 -20.373 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.921 6.449 -19.637 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.805 7.087 -22.641 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.439 8.099 -23.120 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -5.323 8.575 -19.842 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.046 8.934 -21.549 1.00 0.00 H new ATOM 1111 N GLN A 75 -12.355 9.610 -16.963 1.00 0.00 N ATOM 1112 CA GLN A 75 -13.723 10.080 -16.602 1.00 0.00 C ATOM 1113 C GLN A 75 -14.421 10.670 -17.830 1.00 0.00 C ATOM 1114 O GLN A 75 -15.280 10.049 -18.425 1.00 0.00 O ATOM 1115 CB GLN A 75 -13.504 11.159 -15.540 1.00 0.00 C ATOM 1116 CG GLN A 75 -14.849 11.784 -15.162 1.00 0.00 C ATOM 1117 CD GLN A 75 -14.609 13.091 -14.404 1.00 0.00 C ATOM 1118 OE1 GLN A 75 -13.513 13.351 -13.949 1.00 0.00 O ATOM 1119 NE2 GLN A 75 -15.596 13.931 -14.248 1.00 0.00 N ATOM 0 H GLN A 75 -12.033 9.884 -17.891 1.00 0.00 H new ATOM 0 HA GLN A 75 -14.354 9.270 -16.236 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -13.032 10.726 -14.658 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.828 11.926 -15.919 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -15.439 11.974 -16.059 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -15.422 11.093 -14.544 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -16.516 13.713 -14.630 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -15.447 14.805 -13.744 1.00 0.00 H new ATOM 1128 N LEU A 76 -14.060 11.863 -18.213 1.00 0.00 N ATOM 1129 CA LEU A 76 -14.704 12.491 -19.403 1.00 0.00 C ATOM 1130 C LEU A 76 -14.408 11.670 -20.660 1.00 0.00 C ATOM 1131 O LEU A 76 -13.294 11.639 -21.145 1.00 0.00 O ATOM 1132 CB LEU A 76 -14.072 13.880 -19.508 1.00 0.00 C ATOM 1133 CG LEU A 76 -14.725 14.653 -20.654 1.00 0.00 C ATOM 1134 CD1 LEU A 76 -16.051 15.252 -20.177 1.00 0.00 C ATOM 1135 CD2 LEU A 76 -13.793 15.779 -21.106 1.00 0.00 C ATOM 0 H LEU A 76 -13.347 12.431 -17.755 1.00 0.00 H new ATOM 0 HA LEU A 76 -15.788 12.543 -19.307 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -14.200 14.421 -18.571 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.999 13.791 -19.680 1.00 0.00 H new ATOM 0 HG LEU A 76 -14.910 13.976 -21.488 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -16.516 15.803 -20.994 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -16.717 14.452 -19.854 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -15.865 15.928 -19.343 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -14.258 16.330 -21.923 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -13.608 16.455 -20.271 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -12.848 15.355 -21.446 1.00 0.00 H new ATOM 1147 N LYS A 77 -15.396 11.004 -21.192 1.00 0.00 N ATOM 1148 CA LYS A 77 -15.170 10.185 -22.418 1.00 0.00 C ATOM 1149 C LYS A 77 -16.125 10.625 -23.530 1.00 0.00 C ATOM 1150 O LYS A 77 -17.025 11.396 -23.242 1.00 0.00 O ATOM 1151 CB LYS A 77 -15.468 8.747 -21.993 1.00 0.00 C ATOM 1152 CG LYS A 77 -16.885 8.666 -21.422 1.00 0.00 C ATOM 1153 CD LYS A 77 -17.671 7.578 -22.157 1.00 0.00 C ATOM 1154 CE LYS A 77 -18.860 7.139 -21.300 1.00 0.00 C ATOM 1155 NZ LYS A 77 -19.929 6.790 -22.277 1.00 0.00 N ATOM 1156 OXT LYS A 77 -15.939 10.183 -24.653 1.00 0.00 O ATOM 0 H LYS A 77 -16.350 10.991 -20.831 1.00 0.00 H new ATOM 0 HA LYS A 77 -14.158 10.294 -22.807 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -15.370 8.077 -22.847 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.744 8.420 -21.246 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -16.846 8.444 -20.356 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -17.387 9.627 -21.529 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -18.021 7.954 -23.118 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -17.025 6.725 -22.365 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -18.602 6.284 -20.675 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -19.181 7.938 -20.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -20.779 6.479 -21.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -20.158 7.625 -22.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -19.597 6.023 -22.895 1.00 0.00 H new TER 1170 LYS A 77 HETATM 1171 CA CA A 101 1.881 -1.208 1.625 1.00 0.00 CA HETATM 1172 CA CA A 102 -3.381 8.269 0.140 1.00 0.00 CA