USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 684 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-H: A 37 HIS HD1 : A 37 HIS ND1 : A 100 CUCU :(H bumps) USER MOD NoAdj-H: A 85 HIS HD1 : A 85 HIS ND1 : A 100 CUCU :(H bumps) USER MOD Single : A 1 ALA N :NH3+ -116:sc= 0.78 (180deg=-1.08) USER MOD Single : A 4 LYS NZ :NH3+ 146:sc= -0.204 (180deg=-1.08) USER MOD Single : A 7 SER OG : rot -159:sc= -0.435 USER MOD Single : A 15 SER OG : rot 180:sc= -0.669 USER MOD Single : A 17 SER OG : rot 180:sc= 0.0877 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -153:sc= -0.0103 (180deg=-0.257) USER MOD Single : A 28 THR OG1 : rot 45:sc= 0.515 USER MOD Single : A 30 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.162) USER MOD Single : A 31 ASN : amide:sc= -1.42 K(o=-1.4,f=-6!) USER MOD Single : A 32 ASN : amide:sc= -2.45! K(o=-2.4!,f=-1.7) USER MOD Single : A 38 ASN : amide:sc= -7.27! C(o=-7.3!,f=-1.8!) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 117:sc= 2 USER MOD Single : A 57 GLN : amide:sc= -8.8! C(o=-8.8!,f=-7.2!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0.339! C(o=0.34!,f=-8!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 148:sc= -0.0434 (180deg=-0.39) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -7:sc= -1.66! USER MOD Single : A 79 LYS NZ :NH3+ -153:sc= -0.0272 (180deg=-0.716) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 153:sc= -1.35 (180deg=-2.31) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -3.269 6.079 -32.174 1.00 0.00 N ATOM 2 CA ALA A 1 -3.680 7.137 -31.221 1.00 0.00 C ATOM 3 C ALA A 1 -4.883 6.673 -30.412 1.00 0.00 C ATOM 4 O ALA A 1 -5.793 6.064 -30.941 1.00 0.00 O ATOM 5 CB ALA A 1 -4.071 8.409 -31.989 1.00 0.00 C ATOM 0 H1 ALA A 1 -2.315 5.744 -31.931 1.00 0.00 H new ATOM 0 H2 ALA A 1 -3.938 5.285 -32.121 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.265 6.464 -33.140 1.00 0.00 H new ATOM 0 HA ALA A 1 -2.843 7.345 -30.554 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -4.372 9.183 -31.282 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -3.218 8.760 -32.570 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -4.901 8.188 -32.660 1.00 0.00 H new ATOM 13 N GLU A 2 -4.860 6.973 -29.139 1.00 0.00 N ATOM 14 CA GLU A 2 -5.990 6.567 -28.260 1.00 0.00 C ATOM 15 C GLU A 2 -6.861 7.766 -27.918 1.00 0.00 C ATOM 16 O GLU A 2 -6.356 8.825 -27.604 1.00 0.00 O ATOM 17 CB GLU A 2 -5.405 6.000 -26.952 1.00 0.00 C ATOM 18 CG GLU A 2 -4.960 4.551 -27.174 1.00 0.00 C ATOM 19 CD GLU A 2 -3.592 4.339 -26.524 1.00 0.00 C ATOM 20 OE1 GLU A 2 -2.652 4.923 -27.039 1.00 0.00 O ATOM 21 OE2 GLU A 2 -3.562 3.606 -25.549 1.00 0.00 O ATOM 0 H GLU A 2 -4.108 7.481 -28.673 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.597 5.824 -28.778 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -4.559 6.605 -26.628 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.151 6.044 -26.159 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.690 3.864 -26.745 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -4.906 4.334 -28.241 1.00 0.00 H new ATOM 28 N VAL A 3 -8.157 7.575 -27.992 1.00 0.00 N ATOM 29 CA VAL A 3 -9.090 8.690 -27.666 1.00 0.00 C ATOM 30 C VAL A 3 -10.057 8.270 -26.576 1.00 0.00 C ATOM 31 O VAL A 3 -10.721 7.262 -26.690 1.00 0.00 O ATOM 32 CB VAL A 3 -9.891 9.048 -28.926 1.00 0.00 C ATOM 33 CG1 VAL A 3 -10.570 10.405 -28.717 1.00 0.00 C ATOM 34 CG2 VAL A 3 -8.937 9.139 -30.120 1.00 0.00 C ATOM 0 H VAL A 3 -8.603 6.699 -28.263 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.513 9.547 -27.319 1.00 0.00 H new ATOM 0 HB VAL A 3 -10.644 8.283 -29.116 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -11.141 10.667 -29.608 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.240 10.348 -27.859 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.812 11.167 -28.535 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -9.501 9.393 -31.018 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.190 9.910 -29.931 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -8.440 8.179 -30.263 1.00 0.00 H new ATOM 44 N LYS A 4 -10.119 9.056 -25.538 1.00 0.00 N ATOM 45 CA LYS A 4 -11.029 8.728 -24.423 1.00 0.00 C ATOM 46 C LYS A 4 -12.296 9.561 -24.505 1.00 0.00 C ATOM 47 O LYS A 4 -12.247 10.779 -24.457 1.00 0.00 O ATOM 48 CB LYS A 4 -10.309 9.056 -23.100 1.00 0.00 C ATOM 49 CG LYS A 4 -9.636 7.791 -22.555 1.00 0.00 C ATOM 50 CD LYS A 4 -9.002 8.105 -21.199 1.00 0.00 C ATOM 51 CE LYS A 4 -7.718 7.288 -21.043 1.00 0.00 C ATOM 52 NZ LYS A 4 -6.720 7.683 -22.078 1.00 0.00 N ATOM 0 H LYS A 4 -9.575 9.911 -25.420 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.296 7.673 -24.475 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.564 9.835 -23.263 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -11.022 9.443 -22.372 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.369 6.991 -22.451 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.876 7.439 -23.253 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.781 9.170 -21.125 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.698 7.868 -20.395 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -7.300 7.443 -20.048 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.943 6.225 -21.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.761 7.612 -21.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.802 7.050 -22.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.899 8.663 -22.377 1.00 0.00 H new ATOM 66 N LEU A 5 -13.410 8.899 -24.648 1.00 0.00 N ATOM 67 CA LEU A 5 -14.671 9.640 -24.708 1.00 0.00 C ATOM 68 C LEU A 5 -15.153 9.936 -23.308 1.00 0.00 C ATOM 69 O LEU A 5 -15.558 9.049 -22.584 1.00 0.00 O ATOM 70 CB LEU A 5 -15.709 8.799 -25.437 1.00 0.00 C ATOM 71 CG LEU A 5 -15.259 8.598 -26.888 1.00 0.00 C ATOM 72 CD1 LEU A 5 -15.798 7.267 -27.411 1.00 0.00 C ATOM 73 CD2 LEU A 5 -15.817 9.731 -27.750 1.00 0.00 C ATOM 0 H LEU A 5 -13.488 7.885 -24.724 1.00 0.00 H new ATOM 0 HA LEU A 5 -14.519 10.579 -25.240 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -15.827 7.835 -24.942 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -16.680 9.293 -25.409 1.00 0.00 H new ATOM 0 HG LEU A 5 -14.170 8.597 -26.932 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -15.477 7.125 -28.443 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -15.414 6.452 -26.797 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -16.887 7.273 -27.367 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -15.499 9.592 -28.783 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -16.906 9.723 -27.701 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -15.444 10.686 -27.381 1.00 0.00 H new ATOM 85 N GLY A 6 -15.089 11.183 -22.951 1.00 0.00 N ATOM 86 CA GLY A 6 -15.513 11.586 -21.582 1.00 0.00 C ATOM 87 C GLY A 6 -14.289 11.914 -20.728 1.00 0.00 C ATOM 88 O GLY A 6 -13.322 11.180 -20.717 1.00 0.00 O ATOM 0 H GLY A 6 -14.761 11.944 -23.546 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -16.171 12.454 -21.637 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -16.085 10.782 -21.118 1.00 0.00 H new ATOM 92 N SER A 7 -14.353 13.016 -20.039 1.00 0.00 N ATOM 93 CA SER A 7 -13.215 13.401 -19.182 1.00 0.00 C ATOM 94 C SER A 7 -13.155 12.518 -17.940 1.00 0.00 C ATOM 95 O SER A 7 -14.125 11.879 -17.584 1.00 0.00 O ATOM 96 CB SER A 7 -13.417 14.861 -18.751 1.00 0.00 C ATOM 97 OG SER A 7 -14.347 14.784 -17.679 1.00 0.00 O ATOM 0 H SER A 7 -15.143 13.661 -20.036 1.00 0.00 H new ATOM 0 HA SER A 7 -12.284 13.281 -19.736 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.479 15.315 -18.432 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.803 15.468 -19.570 1.00 0.00 H new ATOM 0 HG SER A 7 -14.784 15.653 -17.562 1.00 0.00 H new ATOM 103 N ASP A 8 -12.016 12.495 -17.304 1.00 0.00 N ATOM 104 CA ASP A 8 -11.881 11.658 -16.089 1.00 0.00 C ATOM 105 C ASP A 8 -12.386 12.403 -14.861 1.00 0.00 C ATOM 106 O ASP A 8 -11.763 12.381 -13.820 1.00 0.00 O ATOM 107 CB ASP A 8 -10.393 11.331 -15.886 1.00 0.00 C ATOM 108 CG ASP A 8 -9.854 10.620 -17.129 1.00 0.00 C ATOM 109 OD1 ASP A 8 -10.679 10.065 -17.836 1.00 0.00 O ATOM 110 OD2 ASP A 8 -8.647 10.673 -17.301 1.00 0.00 O ATOM 0 H ASP A 8 -11.182 13.017 -17.574 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.470 10.750 -16.217 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -9.830 12.246 -15.704 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.265 10.698 -15.008 1.00 0.00 H new ATOM 115 N ASP A 9 -13.509 13.053 -15.005 1.00 0.00 N ATOM 116 CA ASP A 9 -14.064 13.805 -13.853 1.00 0.00 C ATOM 117 C ASP A 9 -15.573 13.974 -13.987 1.00 0.00 C ATOM 118 O ASP A 9 -16.321 13.598 -13.105 1.00 0.00 O ATOM 119 CB ASP A 9 -13.412 15.198 -13.820 1.00 0.00 C ATOM 120 CG ASP A 9 -13.139 15.668 -15.250 1.00 0.00 C ATOM 121 OD1 ASP A 9 -12.214 15.125 -15.831 1.00 0.00 O ATOM 122 OD2 ASP A 9 -13.869 16.545 -15.680 1.00 0.00 O ATOM 0 H ASP A 9 -14.059 13.094 -15.863 1.00 0.00 H new ATOM 0 HA ASP A 9 -13.855 13.252 -12.937 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -14.067 15.906 -13.312 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.481 15.162 -13.254 1.00 0.00 H new ATOM 127 N GLY A 10 -15.995 14.538 -15.086 1.00 0.00 N ATOM 128 CA GLY A 10 -17.459 14.740 -15.287 1.00 0.00 C ATOM 129 C GLY A 10 -17.718 15.645 -16.492 1.00 0.00 C ATOM 130 O GLY A 10 -18.194 16.754 -16.349 1.00 0.00 O ATOM 0 H GLY A 10 -15.398 14.864 -15.846 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -17.947 13.777 -15.437 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -17.897 15.183 -14.392 1.00 0.00 H new ATOM 134 N GLY A 11 -17.399 15.154 -17.658 1.00 0.00 N ATOM 135 CA GLY A 11 -17.623 15.974 -18.880 1.00 0.00 C ATOM 136 C GLY A 11 -17.637 15.086 -20.125 1.00 0.00 C ATOM 137 O GLY A 11 -17.097 13.997 -20.117 1.00 0.00 O ATOM 0 H GLY A 11 -16.997 14.230 -17.816 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -18.569 16.510 -18.797 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -16.838 16.725 -18.970 1.00 0.00 H new ATOM 141 N LEU A 12 -18.259 15.576 -21.170 1.00 0.00 N ATOM 142 CA LEU A 12 -18.327 14.792 -22.434 1.00 0.00 C ATOM 143 C LEU A 12 -17.563 15.497 -23.544 1.00 0.00 C ATOM 144 O LEU A 12 -18.065 16.422 -24.152 1.00 0.00 O ATOM 145 CB LEU A 12 -19.804 14.679 -22.849 1.00 0.00 C ATOM 146 CG LEU A 12 -20.626 14.163 -21.661 1.00 0.00 C ATOM 147 CD1 LEU A 12 -22.101 14.060 -22.069 1.00 0.00 C ATOM 148 CD2 LEU A 12 -20.116 12.773 -21.258 1.00 0.00 C ATOM 0 H LEU A 12 -18.721 16.485 -21.198 1.00 0.00 H new ATOM 0 HA LEU A 12 -17.885 13.809 -22.272 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -20.179 15.651 -23.171 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -19.905 14.002 -23.697 1.00 0.00 H new ATOM 0 HG LEU A 12 -20.525 14.850 -20.821 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -22.687 13.693 -21.226 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -22.466 15.044 -22.364 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -22.199 13.370 -22.907 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -20.698 12.403 -20.414 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -20.222 12.089 -22.100 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -19.066 12.839 -20.974 1.00 0.00 H new ATOM 160 N VAL A 13 -16.351 15.056 -23.789 1.00 0.00 N ATOM 161 CA VAL A 13 -15.555 15.697 -24.858 1.00 0.00 C ATOM 162 C VAL A 13 -14.645 14.693 -25.534 1.00 0.00 C ATOM 163 O VAL A 13 -14.274 13.692 -24.950 1.00 0.00 O ATOM 164 CB VAL A 13 -14.673 16.790 -24.224 1.00 0.00 C ATOM 165 CG1 VAL A 13 -15.558 17.945 -23.752 1.00 0.00 C ATOM 166 CG2 VAL A 13 -13.914 16.205 -23.018 1.00 0.00 C ATOM 0 H VAL A 13 -15.892 14.289 -23.297 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.238 16.114 -25.598 1.00 0.00 H new ATOM 0 HB VAL A 13 -13.958 17.153 -24.963 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.936 18.720 -23.303 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -16.098 18.361 -24.603 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -16.271 17.579 -23.013 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -13.290 16.979 -22.570 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -14.629 15.842 -22.279 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.285 15.379 -23.350 1.00 0.00 H new ATOM 176 N PHE A 14 -14.299 14.973 -26.756 1.00 0.00 N ATOM 177 CA PHE A 14 -13.378 14.068 -27.463 1.00 0.00 C ATOM 178 C PHE A 14 -11.979 14.360 -26.966 1.00 0.00 C ATOM 179 O PHE A 14 -11.430 15.400 -27.265 1.00 0.00 O ATOM 180 CB PHE A 14 -13.446 14.373 -28.968 1.00 0.00 C ATOM 181 CG PHE A 14 -14.680 13.694 -29.584 1.00 0.00 C ATOM 182 CD1 PHE A 14 -14.621 12.373 -29.993 1.00 0.00 C ATOM 183 CD2 PHE A 14 -15.870 14.392 -29.744 1.00 0.00 C ATOM 184 CE1 PHE A 14 -15.725 11.761 -30.549 1.00 0.00 C ATOM 185 CE2 PHE A 14 -16.971 13.773 -30.301 1.00 0.00 C ATOM 186 CZ PHE A 14 -16.897 12.460 -30.702 1.00 0.00 C ATOM 0 H PHE A 14 -14.615 15.785 -27.287 1.00 0.00 H new ATOM 0 HA PHE A 14 -13.642 13.025 -27.286 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -13.495 15.450 -29.128 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -12.541 14.018 -29.461 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -13.703 11.817 -29.876 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -15.934 15.424 -29.431 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -15.668 10.730 -30.865 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -17.893 14.322 -30.422 1.00 0.00 H new ATOM 0 HZ PHE A 14 -17.760 11.979 -31.137 1.00 0.00 H new ATOM 196 N SER A 15 -11.429 13.447 -26.207 1.00 0.00 N ATOM 197 CA SER A 15 -10.085 13.686 -25.636 1.00 0.00 C ATOM 198 C SER A 15 -9.042 12.677 -26.192 1.00 0.00 C ATOM 199 O SER A 15 -9.116 11.515 -25.880 1.00 0.00 O ATOM 200 CB SER A 15 -10.221 13.462 -24.121 1.00 0.00 C ATOM 201 OG SER A 15 -11.284 14.322 -23.740 1.00 0.00 O ATOM 0 H SER A 15 -11.856 12.553 -25.963 1.00 0.00 H new ATOM 0 HA SER A 15 -9.743 14.690 -25.890 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.448 12.421 -23.890 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.299 13.711 -23.596 1.00 0.00 H new ATOM 0 HG SER A 15 -11.441 14.240 -22.776 1.00 0.00 H new ATOM 207 N PRO A 16 -8.066 13.130 -27.016 1.00 0.00 N ATOM 208 CA PRO A 16 -7.894 14.537 -27.447 1.00 0.00 C ATOM 209 C PRO A 16 -9.052 15.001 -28.328 1.00 0.00 C ATOM 210 O PRO A 16 -9.934 14.231 -28.656 1.00 0.00 O ATOM 211 CB PRO A 16 -6.604 14.533 -28.297 1.00 0.00 C ATOM 212 CG PRO A 16 -6.092 13.065 -28.367 1.00 0.00 C ATOM 213 CD PRO A 16 -7.065 12.201 -27.553 1.00 0.00 C ATOM 0 HA PRO A 16 -7.854 15.205 -26.586 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.803 14.917 -29.297 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.849 15.181 -27.851 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.047 12.723 -29.401 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.082 12.991 -27.963 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.532 11.441 -28.179 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.546 11.677 -26.750 1.00 0.00 H new ATOM 221 N SER A 17 -9.020 16.254 -28.699 1.00 0.00 N ATOM 222 CA SER A 17 -10.093 16.785 -29.580 1.00 0.00 C ATOM 223 C SER A 17 -9.665 16.672 -31.036 1.00 0.00 C ATOM 224 O SER A 17 -10.345 16.068 -31.843 1.00 0.00 O ATOM 225 CB SER A 17 -10.316 18.267 -29.238 1.00 0.00 C ATOM 226 OG SER A 17 -9.458 18.499 -28.130 1.00 0.00 O ATOM 0 H SER A 17 -8.301 16.926 -28.431 1.00 0.00 H new ATOM 0 HA SER A 17 -11.010 16.216 -29.429 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.064 18.913 -30.079 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.357 18.465 -28.984 1.00 0.00 H new ATOM 0 HG SER A 17 -9.537 19.433 -27.845 1.00 0.00 H new ATOM 232 N SER A 18 -8.538 17.265 -31.335 1.00 0.00 N ATOM 233 CA SER A 18 -8.001 17.203 -32.719 1.00 0.00 C ATOM 234 C SER A 18 -6.572 16.669 -32.676 1.00 0.00 C ATOM 235 O SER A 18 -5.809 17.030 -31.802 1.00 0.00 O ATOM 236 CB SER A 18 -7.988 18.627 -33.304 1.00 0.00 C ATOM 237 OG SER A 18 -6.950 18.595 -34.272 1.00 0.00 O ATOM 0 H SER A 18 -7.967 17.791 -30.674 1.00 0.00 H new ATOM 0 HA SER A 18 -8.620 16.549 -33.334 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.947 18.881 -33.756 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.792 19.373 -32.534 1.00 0.00 H new ATOM 0 HG SER A 18 -6.874 19.474 -34.699 1.00 0.00 H new ATOM 243 N PHE A 19 -6.225 15.822 -33.607 1.00 0.00 N ATOM 244 CA PHE A 19 -4.849 15.265 -33.579 1.00 0.00 C ATOM 245 C PHE A 19 -4.437 14.734 -34.941 1.00 0.00 C ATOM 246 O PHE A 19 -5.173 14.014 -35.582 1.00 0.00 O ATOM 247 CB PHE A 19 -4.824 14.104 -32.571 1.00 0.00 C ATOM 248 CG PHE A 19 -5.965 13.135 -32.886 1.00 0.00 C ATOM 249 CD1 PHE A 19 -7.262 13.423 -32.495 1.00 0.00 C ATOM 250 CD2 PHE A 19 -5.716 11.956 -33.568 1.00 0.00 C ATOM 251 CE1 PHE A 19 -8.289 12.547 -32.781 1.00 0.00 C ATOM 252 CE2 PHE A 19 -6.746 11.082 -33.853 1.00 0.00 C ATOM 253 CZ PHE A 19 -8.031 11.379 -33.459 1.00 0.00 C ATOM 0 H PHE A 19 -6.822 15.499 -34.369 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.155 16.057 -33.297 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.867 13.585 -32.621 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.927 14.487 -31.556 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.471 14.339 -31.963 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.709 11.719 -33.879 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.297 12.779 -32.472 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.543 10.165 -34.386 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.836 10.695 -33.682 1.00 0.00 H new ATOM 263 N THR A 20 -3.259 15.095 -35.359 1.00 0.00 N ATOM 264 CA THR A 20 -2.783 14.619 -36.666 1.00 0.00 C ATOM 265 C THR A 20 -2.185 13.222 -36.550 1.00 0.00 C ATOM 266 O THR A 20 -1.731 12.827 -35.494 1.00 0.00 O ATOM 267 CB THR A 20 -1.699 15.579 -37.161 1.00 0.00 C ATOM 268 OG1 THR A 20 -0.478 15.025 -36.712 1.00 0.00 O ATOM 269 CG2 THR A 20 -1.793 16.931 -36.442 1.00 0.00 C ATOM 0 H THR A 20 -2.613 15.697 -34.848 1.00 0.00 H new ATOM 0 HA THR A 20 -3.623 14.582 -37.360 1.00 0.00 H new ATOM 0 HB THR A 20 -1.790 15.713 -38.239 1.00 0.00 H new ATOM 0 HG1 THR A 20 0.265 15.595 -36.999 1.00 0.00 H new ATOM 0 HG21 THR A 20 -1.012 17.595 -36.812 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.769 17.377 -36.633 1.00 0.00 H new ATOM 0 HG23 THR A 20 -1.665 16.783 -35.370 1.00 0.00 H new ATOM 277 N VAL A 21 -2.193 12.498 -37.638 1.00 0.00 N ATOM 278 CA VAL A 21 -1.622 11.127 -37.605 1.00 0.00 C ATOM 279 C VAL A 21 -0.976 10.773 -38.937 1.00 0.00 C ATOM 280 O VAL A 21 -1.095 11.501 -39.900 1.00 0.00 O ATOM 281 CB VAL A 21 -2.760 10.131 -37.325 1.00 0.00 C ATOM 282 CG1 VAL A 21 -3.478 10.534 -36.035 1.00 0.00 C ATOM 283 CG2 VAL A 21 -3.757 10.159 -38.484 1.00 0.00 C ATOM 0 H VAL A 21 -2.567 12.796 -38.539 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.860 11.080 -36.827 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.348 9.127 -37.220 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.286 9.830 -35.833 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.771 10.522 -35.206 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.890 11.537 -36.146 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.564 9.453 -38.287 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.169 11.163 -38.585 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.249 9.881 -39.407 1.00 0.00 H new ATOM 293 N ALA A 22 -0.296 9.662 -38.963 1.00 0.00 N ATOM 294 CA ALA A 22 0.360 9.240 -40.222 1.00 0.00 C ATOM 295 C ALA A 22 -0.542 8.296 -41.009 1.00 0.00 C ATOM 296 O ALA A 22 -1.349 7.590 -40.441 1.00 0.00 O ATOM 297 CB ALA A 22 1.660 8.504 -39.864 1.00 0.00 C ATOM 0 H ALA A 22 -0.169 9.034 -38.170 1.00 0.00 H new ATOM 0 HA ALA A 22 0.563 10.119 -40.834 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.160 8.184 -40.778 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.316 9.173 -39.307 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.428 7.632 -39.253 1.00 0.00 H new ATOM 303 N ALA A 23 -0.391 8.306 -42.306 1.00 0.00 N ATOM 304 CA ALA A 23 -1.233 7.414 -43.149 1.00 0.00 C ATOM 305 C ALA A 23 -0.890 5.945 -42.910 1.00 0.00 C ATOM 306 O ALA A 23 -0.272 5.305 -43.738 1.00 0.00 O ATOM 307 CB ALA A 23 -0.965 7.748 -44.625 1.00 0.00 C ATOM 0 H ALA A 23 0.274 8.889 -42.814 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.280 7.572 -42.891 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.573 7.104 -45.260 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.221 8.791 -44.814 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.089 7.587 -44.849 1.00 0.00 H new ATOM 313 N GLY A 24 -1.301 5.439 -41.781 1.00 0.00 N ATOM 314 CA GLY A 24 -1.016 4.013 -41.465 1.00 0.00 C ATOM 315 C GLY A 24 -1.003 3.818 -39.954 1.00 0.00 C ATOM 316 O GLY A 24 -0.563 2.802 -39.454 1.00 0.00 O ATOM 0 H GLY A 24 -1.820 5.949 -41.066 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.772 3.371 -41.918 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.055 3.721 -41.888 1.00 0.00 H new ATOM 320 N GLU A 25 -1.491 4.809 -39.258 1.00 0.00 N ATOM 321 CA GLU A 25 -1.523 4.728 -37.782 1.00 0.00 C ATOM 322 C GLU A 25 -2.907 4.315 -37.296 1.00 0.00 C ATOM 323 O GLU A 25 -3.875 5.017 -37.502 1.00 0.00 O ATOM 324 CB GLU A 25 -1.198 6.124 -37.228 1.00 0.00 C ATOM 325 CG GLU A 25 -0.722 6.002 -35.774 1.00 0.00 C ATOM 326 CD GLU A 25 -1.886 5.538 -34.897 1.00 0.00 C ATOM 327 OE1 GLU A 25 -2.874 6.254 -34.884 1.00 0.00 O ATOM 328 OE2 GLU A 25 -1.722 4.493 -34.288 1.00 0.00 O ATOM 0 H GLU A 25 -1.868 5.670 -39.655 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.800 3.987 -37.441 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.426 6.597 -37.836 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.080 6.762 -37.280 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.103 5.293 -35.708 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.346 6.962 -35.421 1.00 0.00 H new ATOM 335 N LYS A 26 -2.972 3.182 -36.660 1.00 0.00 N ATOM 336 CA LYS A 26 -4.281 2.702 -36.157 1.00 0.00 C ATOM 337 C LYS A 26 -4.816 3.617 -35.062 1.00 0.00 C ATOM 338 O LYS A 26 -4.096 3.983 -34.155 1.00 0.00 O ATOM 339 CB LYS A 26 -4.082 1.296 -35.573 1.00 0.00 C ATOM 340 CG LYS A 26 -3.826 0.311 -36.720 1.00 0.00 C ATOM 341 CD LYS A 26 -3.166 -0.964 -36.167 1.00 0.00 C ATOM 342 CE LYS A 26 -1.726 -0.661 -35.709 1.00 0.00 C ATOM 343 NZ LYS A 26 -1.623 -0.747 -34.224 1.00 0.00 N ATOM 0 H LYS A 26 -2.178 2.571 -36.468 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.997 2.693 -36.979 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.242 1.292 -34.879 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.964 0.995 -35.008 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.765 0.062 -37.215 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.182 0.770 -37.470 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.748 -1.350 -35.330 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.156 -1.739 -36.933 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.035 -1.367 -36.169 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.433 0.334 -36.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.852 -0.133 -33.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.519 -0.439 -33.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.426 -1.730 -33.946 1.00 0.00 H new ATOM 357 N ILE A 27 -6.080 3.965 -35.173 1.00 0.00 N ATOM 358 CA ILE A 27 -6.701 4.847 -34.147 1.00 0.00 C ATOM 359 C ILE A 27 -7.757 4.067 -33.391 1.00 0.00 C ATOM 360 O ILE A 27 -8.585 3.414 -33.993 1.00 0.00 O ATOM 361 CB ILE A 27 -7.365 6.031 -34.854 1.00 0.00 C ATOM 362 CG1 ILE A 27 -6.298 6.990 -35.364 1.00 0.00 C ATOM 363 CG2 ILE A 27 -8.252 6.778 -33.842 1.00 0.00 C ATOM 364 CD1 ILE A 27 -6.766 7.610 -36.682 1.00 0.00 C ATOM 0 H ILE A 27 -6.700 3.674 -35.929 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.940 5.203 -33.452 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.961 5.667 -35.691 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -6.112 7.771 -34.627 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.357 6.460 -35.512 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -8.731 7.625 -34.334 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.016 6.101 -33.458 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.638 7.138 -33.016 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.005 8.298 -37.051 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.930 6.822 -37.417 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.697 8.153 -36.518 1.00 0.00 H new ATOM 376 N THR A 28 -7.711 4.149 -32.085 1.00 0.00 N ATOM 377 CA THR A 28 -8.692 3.387 -31.268 1.00 0.00 C ATOM 378 C THR A 28 -9.450 4.277 -30.310 1.00 0.00 C ATOM 379 O THR A 28 -8.867 4.965 -29.496 1.00 0.00 O ATOM 380 CB THR A 28 -7.920 2.350 -30.456 1.00 0.00 C ATOM 381 OG1 THR A 28 -6.855 3.061 -29.857 1.00 0.00 O ATOM 382 CG2 THR A 28 -7.237 1.333 -31.381 1.00 0.00 C ATOM 0 H THR A 28 -7.041 4.707 -31.556 1.00 0.00 H new ATOM 0 HA THR A 28 -9.416 2.927 -31.940 1.00 0.00 H new ATOM 0 HB THR A 28 -8.594 1.844 -29.764 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.192 3.903 -29.485 1.00 0.00 H new ATOM 0 HG21 THR A 28 -6.693 0.604 -30.781 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.991 0.821 -31.979 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.541 1.851 -32.041 1.00 0.00 H new ATOM 390 N PHE A 29 -10.746 4.245 -30.425 1.00 0.00 N ATOM 391 CA PHE A 29 -11.575 5.052 -29.509 1.00 0.00 C ATOM 392 C PHE A 29 -11.789 4.271 -28.224 1.00 0.00 C ATOM 393 O PHE A 29 -11.860 3.060 -28.252 1.00 0.00 O ATOM 394 CB PHE A 29 -12.936 5.313 -30.173 1.00 0.00 C ATOM 395 CG PHE A 29 -12.732 6.184 -31.417 1.00 0.00 C ATOM 396 CD1 PHE A 29 -12.634 7.560 -31.302 1.00 0.00 C ATOM 397 CD2 PHE A 29 -12.642 5.607 -32.674 1.00 0.00 C ATOM 398 CE1 PHE A 29 -12.449 8.343 -32.424 1.00 0.00 C ATOM 399 CE2 PHE A 29 -12.458 6.394 -33.792 1.00 0.00 C ATOM 400 CZ PHE A 29 -12.361 7.760 -33.666 1.00 0.00 C ATOM 0 H PHE A 29 -11.260 3.695 -31.113 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.081 5.999 -29.289 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -13.406 4.369 -30.449 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -13.606 5.811 -29.472 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.703 8.024 -30.329 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -12.716 4.535 -32.779 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.373 9.416 -32.326 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -12.390 5.937 -34.768 1.00 0.00 H new ATOM 0 HZ PHE A 29 -12.216 8.374 -34.542 1.00 0.00 H new ATOM 410 N LYS A 30 -11.886 4.970 -27.124 1.00 0.00 N ATOM 411 CA LYS A 30 -12.071 4.267 -25.826 1.00 0.00 C ATOM 412 C LYS A 30 -13.121 4.956 -24.967 1.00 0.00 C ATOM 413 O LYS A 30 -13.060 6.145 -24.733 1.00 0.00 O ATOM 414 CB LYS A 30 -10.726 4.292 -25.079 1.00 0.00 C ATOM 415 CG LYS A 30 -10.781 3.311 -23.906 1.00 0.00 C ATOM 416 CD LYS A 30 -9.513 3.469 -23.065 1.00 0.00 C ATOM 417 CE LYS A 30 -8.961 2.083 -22.720 1.00 0.00 C ATOM 418 NZ LYS A 30 -9.964 1.298 -21.948 1.00 0.00 N ATOM 0 H LYS A 30 -11.845 5.988 -27.070 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.405 3.247 -26.018 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.916 4.022 -25.756 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.517 5.299 -24.717 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.664 3.503 -23.296 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.864 2.288 -24.274 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.767 4.044 -23.614 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.734 4.023 -22.153 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.701 1.551 -23.635 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.045 2.185 -22.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.493 0.498 -21.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.405 1.908 -21.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.696 0.939 -22.594 1.00 0.00 H new ATOM 432 N ASN A 31 -14.069 4.186 -24.514 1.00 0.00 N ATOM 433 CA ASN A 31 -15.136 4.760 -23.660 1.00 0.00 C ATOM 434 C ASN A 31 -14.640 4.930 -22.225 1.00 0.00 C ATOM 435 O ASN A 31 -14.448 3.960 -21.518 1.00 0.00 O ATOM 436 CB ASN A 31 -16.318 3.780 -23.663 1.00 0.00 C ATOM 437 CG ASN A 31 -17.240 4.107 -24.839 1.00 0.00 C ATOM 438 OD1 ASN A 31 -18.232 4.793 -24.692 1.00 0.00 O ATOM 439 ND2 ASN A 31 -16.947 3.638 -26.021 1.00 0.00 N ATOM 0 H ASN A 31 -14.149 3.186 -24.699 1.00 0.00 H new ATOM 0 HA ASN A 31 -15.429 5.736 -24.046 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.956 2.755 -23.744 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -16.867 3.851 -22.724 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -17.550 3.848 -26.817 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -16.115 3.062 -26.149 1.00 0.00 H new ATOM 446 N ASN A 32 -14.444 6.160 -21.816 1.00 0.00 N ATOM 447 CA ASN A 32 -13.950 6.397 -20.433 1.00 0.00 C ATOM 448 C ASN A 32 -15.098 6.679 -19.461 1.00 0.00 C ATOM 449 O ASN A 32 -15.011 6.356 -18.292 1.00 0.00 O ATOM 450 CB ASN A 32 -13.024 7.619 -20.456 1.00 0.00 C ATOM 451 CG ASN A 32 -13.151 8.369 -19.131 1.00 0.00 C ATOM 452 OD1 ASN A 32 -12.634 7.949 -18.114 1.00 0.00 O ATOM 453 ND2 ASN A 32 -13.830 9.481 -19.097 1.00 0.00 N ATOM 0 H ASN A 32 -14.604 6.998 -22.376 1.00 0.00 H new ATOM 0 HA ASN A 32 -13.429 5.501 -20.096 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -11.992 7.306 -20.613 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -13.288 8.275 -21.286 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -13.925 9.994 -18.220 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -14.266 9.838 -19.947 1.00 0.00 H new ATOM 460 N ALA A 33 -16.153 7.273 -19.957 1.00 0.00 N ATOM 461 CA ALA A 33 -17.304 7.584 -19.064 1.00 0.00 C ATOM 462 C ALA A 33 -18.267 8.551 -19.732 1.00 0.00 C ATOM 463 O ALA A 33 -17.853 9.508 -20.349 1.00 0.00 O ATOM 464 CB ALA A 33 -16.765 8.246 -17.785 1.00 0.00 C ATOM 0 H ALA A 33 -16.265 7.553 -20.931 1.00 0.00 H new ATOM 0 HA ALA A 33 -17.832 6.657 -18.840 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.595 8.481 -17.119 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -16.079 7.563 -17.283 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -16.238 9.164 -18.045 1.00 0.00 H new ATOM 470 N GLY A 34 -19.543 8.279 -19.597 1.00 0.00 N ATOM 471 CA GLY A 34 -20.565 9.185 -20.205 1.00 0.00 C ATOM 472 C GLY A 34 -21.368 8.460 -21.284 1.00 0.00 C ATOM 473 O GLY A 34 -22.273 9.029 -21.864 1.00 0.00 O ATOM 0 H GLY A 34 -19.918 7.474 -19.095 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -21.238 9.551 -19.430 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -20.073 10.056 -20.637 1.00 0.00 H new ATOM 477 N PHE A 35 -21.030 7.223 -21.541 1.00 0.00 N ATOM 478 CA PHE A 35 -21.785 6.480 -22.577 1.00 0.00 C ATOM 479 C PHE A 35 -23.295 6.666 -22.354 1.00 0.00 C ATOM 480 O PHE A 35 -23.710 7.085 -21.291 1.00 0.00 O ATOM 481 CB PHE A 35 -21.438 4.979 -22.468 1.00 0.00 C ATOM 482 CG PHE A 35 -20.490 4.734 -21.302 1.00 0.00 C ATOM 483 CD1 PHE A 35 -19.128 4.890 -21.468 1.00 0.00 C ATOM 484 CD2 PHE A 35 -20.977 4.346 -20.065 1.00 0.00 C ATOM 485 CE1 PHE A 35 -18.266 4.662 -20.419 1.00 0.00 C ATOM 486 CE2 PHE A 35 -20.113 4.119 -19.017 1.00 0.00 C ATOM 487 CZ PHE A 35 -18.759 4.275 -19.194 1.00 0.00 C ATOM 0 H PHE A 35 -20.277 6.708 -21.085 1.00 0.00 H new ATOM 0 HA PHE A 35 -21.518 6.857 -23.564 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -22.350 4.398 -22.331 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -20.979 4.638 -23.396 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -18.736 5.193 -22.428 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -22.040 4.221 -19.921 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -17.202 4.787 -20.558 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -20.500 3.818 -18.055 1.00 0.00 H new ATOM 0 HZ PHE A 35 -18.082 4.094 -18.372 1.00 0.00 H new ATOM 497 N PRO A 36 -24.103 6.351 -23.363 1.00 0.00 N ATOM 498 CA PRO A 36 -23.640 5.855 -24.673 1.00 0.00 C ATOM 499 C PRO A 36 -23.063 6.964 -25.552 1.00 0.00 C ATOM 500 O PRO A 36 -23.527 8.085 -25.524 1.00 0.00 O ATOM 501 CB PRO A 36 -24.915 5.317 -25.351 1.00 0.00 C ATOM 502 CG PRO A 36 -26.126 5.735 -24.462 1.00 0.00 C ATOM 503 CD PRO A 36 -25.556 6.424 -23.212 1.00 0.00 C ATOM 0 HA PRO A 36 -22.849 5.117 -24.541 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -25.017 5.726 -26.356 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -24.868 4.233 -25.451 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -26.787 6.410 -25.005 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -26.718 4.863 -24.184 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -25.893 7.458 -23.144 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -25.883 5.922 -22.302 1.00 0.00 H new ATOM 511 N HIS A 37 -22.058 6.612 -26.324 1.00 0.00 N ATOM 512 CA HIS A 37 -21.430 7.613 -27.234 1.00 0.00 C ATOM 513 C HIS A 37 -21.725 7.284 -28.687 1.00 0.00 C ATOM 514 O HIS A 37 -22.270 6.244 -28.994 1.00 0.00 O ATOM 515 CB HIS A 37 -19.910 7.589 -27.036 1.00 0.00 C ATOM 516 CG HIS A 37 -19.538 8.464 -25.854 1.00 0.00 C ATOM 517 ND1 HIS A 37 -19.853 9.787 -25.790 1.00 0.00 N ATOM 518 CD2 HIS A 37 -18.826 8.112 -24.738 1.00 0.00 C ATOM 519 CE1 HIS A 37 -19.302 10.132 -24.635 1.00 0.00 C ATOM 520 NE2 HIS A 37 -18.732 9.155 -24.066 1.00 0.00 N ATOM 0 H HIS A 37 -21.651 5.677 -26.359 1.00 0.00 H new ATOM 0 HA HIS A 37 -21.839 8.595 -26.998 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -19.571 6.567 -26.866 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -19.410 7.945 -27.937 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -18.431 7.137 -24.494 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -19.335 11.131 -24.226 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -18.254 9.216 -23.167 1.00 0.00 H new ATOM 528 N ASN A 38 -21.359 8.179 -29.555 1.00 0.00 N ATOM 529 CA ASN A 38 -21.593 7.937 -30.995 1.00 0.00 C ATOM 530 C ASN A 38 -20.522 8.629 -31.822 1.00 0.00 C ATOM 531 O ASN A 38 -20.144 9.747 -31.532 1.00 0.00 O ATOM 532 CB ASN A 38 -22.968 8.509 -31.376 1.00 0.00 C ATOM 533 CG ASN A 38 -23.535 7.712 -32.553 1.00 0.00 C ATOM 534 OD1 ASN A 38 -24.719 7.445 -32.624 1.00 0.00 O ATOM 535 ND2 ASN A 38 -22.727 7.317 -33.500 1.00 0.00 N ATOM 0 H ASN A 38 -20.909 9.066 -29.328 1.00 0.00 H new ATOM 0 HA ASN A 38 -21.559 6.865 -31.192 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -23.646 8.455 -30.524 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -22.876 9.561 -31.644 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -23.090 6.788 -34.293 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -21.733 7.538 -33.447 1.00 0.00 H new ATOM 542 N ILE A 39 -20.043 7.945 -32.831 1.00 0.00 N ATOM 543 CA ILE A 39 -18.984 8.539 -33.695 1.00 0.00 C ATOM 544 C ILE A 39 -19.405 8.524 -35.157 1.00 0.00 C ATOM 545 O ILE A 39 -19.494 7.476 -35.767 1.00 0.00 O ATOM 546 CB ILE A 39 -17.715 7.695 -33.539 1.00 0.00 C ATOM 547 CG1 ILE A 39 -17.367 7.557 -32.062 1.00 0.00 C ATOM 548 CG2 ILE A 39 -16.552 8.413 -34.246 1.00 0.00 C ATOM 549 CD1 ILE A 39 -17.794 6.174 -31.568 1.00 0.00 C ATOM 0 H ILE A 39 -20.340 7.004 -33.091 1.00 0.00 H new ATOM 0 HA ILE A 39 -18.813 9.573 -33.394 1.00 0.00 H new ATOM 0 HB ILE A 39 -17.881 6.709 -33.973 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -16.296 7.693 -31.915 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -17.869 8.333 -31.484 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -15.642 7.822 -34.142 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -16.788 8.533 -35.303 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.401 9.393 -33.794 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -17.546 6.073 -30.511 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -18.869 6.056 -31.701 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -17.271 5.406 -32.139 1.00 0.00 H new ATOM 561 N VAL A 40 -19.661 9.695 -35.688 1.00 0.00 N ATOM 562 CA VAL A 40 -20.071 9.790 -37.117 1.00 0.00 C ATOM 563 C VAL A 40 -19.247 10.845 -37.833 1.00 0.00 C ATOM 564 O VAL A 40 -18.888 11.853 -37.256 1.00 0.00 O ATOM 565 CB VAL A 40 -21.553 10.194 -37.178 1.00 0.00 C ATOM 566 CG1 VAL A 40 -22.084 9.928 -38.589 1.00 0.00 C ATOM 567 CG2 VAL A 40 -22.348 9.356 -36.174 1.00 0.00 C ATOM 0 H VAL A 40 -19.603 10.585 -35.192 1.00 0.00 H new ATOM 0 HA VAL A 40 -19.913 8.826 -37.600 1.00 0.00 H new ATOM 0 HB VAL A 40 -21.658 11.251 -36.935 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -23.135 10.212 -38.642 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -21.513 10.514 -39.309 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -21.982 8.868 -38.822 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -23.400 9.640 -36.215 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -22.248 8.299 -36.422 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -21.964 9.531 -35.169 1.00 0.00 H new ATOM 577 N PHE A 41 -18.962 10.594 -39.081 1.00 0.00 N ATOM 578 CA PHE A 41 -18.149 11.562 -39.855 1.00 0.00 C ATOM 579 C PHE A 41 -19.026 12.445 -40.732 1.00 0.00 C ATOM 580 O PHE A 41 -19.760 11.957 -41.568 1.00 0.00 O ATOM 581 CB PHE A 41 -17.197 10.767 -40.754 1.00 0.00 C ATOM 582 CG PHE A 41 -15.965 10.364 -39.943 1.00 0.00 C ATOM 583 CD1 PHE A 41 -15.950 9.176 -39.239 1.00 0.00 C ATOM 584 CD2 PHE A 41 -14.849 11.182 -39.904 1.00 0.00 C ATOM 585 CE1 PHE A 41 -14.839 8.810 -38.507 1.00 0.00 C ATOM 586 CE2 PHE A 41 -13.740 10.813 -39.169 1.00 0.00 C ATOM 587 CZ PHE A 41 -13.737 9.629 -38.473 1.00 0.00 C ATOM 0 H PHE A 41 -19.257 9.763 -39.593 1.00 0.00 H new ATOM 0 HA PHE A 41 -17.605 12.203 -39.161 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -17.698 9.880 -41.142 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -16.901 11.368 -41.614 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -16.814 8.529 -39.262 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -14.846 12.113 -40.451 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -14.836 7.879 -37.960 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.873 11.457 -39.141 1.00 0.00 H new ATOM 0 HZ PHE A 41 -12.868 9.342 -37.899 1.00 0.00 H new ATOM 597 N ASP A 42 -18.935 13.733 -40.527 1.00 0.00 N ATOM 598 CA ASP A 42 -19.751 14.654 -41.352 1.00 0.00 C ATOM 599 C ASP A 42 -19.389 14.495 -42.828 1.00 0.00 C ATOM 600 O ASP A 42 -18.390 15.010 -43.288 1.00 0.00 O ATOM 601 CB ASP A 42 -19.462 16.099 -40.906 1.00 0.00 C ATOM 602 CG ASP A 42 -20.690 16.967 -41.188 1.00 0.00 C ATOM 603 OD1 ASP A 42 -21.172 16.876 -42.305 1.00 0.00 O ATOM 604 OD2 ASP A 42 -21.077 17.672 -40.269 1.00 0.00 O ATOM 0 H ASP A 42 -18.336 14.178 -39.831 1.00 0.00 H new ATOM 0 HA ASP A 42 -20.808 14.423 -41.223 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -19.221 16.123 -39.843 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -18.595 16.490 -41.438 1.00 0.00 H new ATOM 609 N GLU A 43 -20.216 13.774 -43.537 1.00 0.00 N ATOM 610 CA GLU A 43 -19.949 13.535 -44.982 1.00 0.00 C ATOM 611 C GLU A 43 -19.832 14.838 -45.773 1.00 0.00 C ATOM 612 O GLU A 43 -19.487 14.823 -46.937 1.00 0.00 O ATOM 613 CB GLU A 43 -21.132 12.727 -45.549 1.00 0.00 C ATOM 614 CG GLU A 43 -20.947 12.542 -47.056 1.00 0.00 C ATOM 615 CD GLU A 43 -21.797 11.360 -47.524 1.00 0.00 C ATOM 616 OE1 GLU A 43 -22.900 11.251 -47.013 1.00 0.00 O ATOM 617 OE2 GLU A 43 -21.298 10.634 -48.367 1.00 0.00 O ATOM 0 H GLU A 43 -21.066 13.340 -43.176 1.00 0.00 H new ATOM 0 HA GLU A 43 -19.002 13.004 -45.075 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -21.192 11.756 -45.057 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -22.070 13.245 -45.348 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -21.241 13.449 -47.585 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -19.897 12.364 -47.287 1.00 0.00 H new ATOM 624 N ASP A 44 -20.106 15.941 -45.135 1.00 0.00 N ATOM 625 CA ASP A 44 -20.035 17.234 -45.867 1.00 0.00 C ATOM 626 C ASP A 44 -18.672 17.906 -45.723 1.00 0.00 C ATOM 627 O ASP A 44 -18.473 19.000 -46.217 1.00 0.00 O ATOM 628 CB ASP A 44 -21.110 18.166 -45.290 1.00 0.00 C ATOM 629 CG ASP A 44 -22.493 17.596 -45.616 1.00 0.00 C ATOM 630 OD1 ASP A 44 -22.686 17.272 -46.778 1.00 0.00 O ATOM 631 OD2 ASP A 44 -23.277 17.515 -44.686 1.00 0.00 O ATOM 0 H ASP A 44 -20.372 16.003 -44.152 1.00 0.00 H new ATOM 0 HA ASP A 44 -20.195 17.038 -46.927 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -20.987 18.260 -44.211 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -21.006 19.166 -45.711 1.00 0.00 H new ATOM 636 N GLU A 45 -17.752 17.251 -45.054 1.00 0.00 N ATOM 637 CA GLU A 45 -16.414 17.860 -44.885 1.00 0.00 C ATOM 638 C GLU A 45 -15.307 16.810 -44.916 1.00 0.00 C ATOM 639 O GLU A 45 -14.179 17.079 -44.554 1.00 0.00 O ATOM 640 CB GLU A 45 -16.387 18.559 -43.535 1.00 0.00 C ATOM 641 CG GLU A 45 -17.023 19.944 -43.671 1.00 0.00 C ATOM 642 CD GLU A 45 -16.957 20.670 -42.325 1.00 0.00 C ATOM 643 OE1 GLU A 45 -17.839 20.405 -41.522 1.00 0.00 O ATOM 644 OE2 GLU A 45 -16.030 21.448 -42.173 1.00 0.00 O ATOM 0 H GLU A 45 -17.876 16.333 -44.626 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.239 18.556 -45.705 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.928 17.968 -42.796 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.360 18.651 -43.180 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.502 20.522 -44.434 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.059 19.850 -43.995 1.00 0.00 H new ATOM 651 N VAL A 46 -15.651 15.641 -45.345 1.00 0.00 N ATOM 652 CA VAL A 46 -14.639 14.550 -45.429 1.00 0.00 C ATOM 653 C VAL A 46 -13.993 14.584 -46.840 1.00 0.00 C ATOM 654 O VAL A 46 -14.637 14.978 -47.793 1.00 0.00 O ATOM 655 CB VAL A 46 -15.420 13.205 -45.200 1.00 0.00 C ATOM 656 CG1 VAL A 46 -15.225 12.235 -46.382 1.00 0.00 C ATOM 657 CG2 VAL A 46 -14.961 12.512 -43.901 1.00 0.00 C ATOM 0 H VAL A 46 -16.592 15.385 -45.644 1.00 0.00 H new ATOM 0 HA VAL A 46 -13.845 14.656 -44.690 1.00 0.00 H new ATOM 0 HB VAL A 46 -16.476 13.461 -45.120 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -15.778 11.315 -46.193 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -15.594 12.698 -47.297 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -14.165 12.005 -46.493 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -15.517 11.584 -43.767 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -13.896 12.290 -43.964 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -15.145 13.171 -43.052 1.00 0.00 H new ATOM 667 N PRO A 47 -12.728 14.171 -46.957 1.00 0.00 N ATOM 668 CA PRO A 47 -12.050 14.184 -48.253 1.00 0.00 C ATOM 669 C PRO A 47 -12.906 13.559 -49.348 1.00 0.00 C ATOM 670 O PRO A 47 -13.630 12.611 -49.113 1.00 0.00 O ATOM 671 CB PRO A 47 -10.769 13.348 -48.039 1.00 0.00 C ATOM 672 CG PRO A 47 -10.725 12.948 -46.532 1.00 0.00 C ATOM 673 CD PRO A 47 -11.922 13.637 -45.847 1.00 0.00 C ATOM 0 HA PRO A 47 -11.842 15.203 -48.578 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -10.778 12.461 -48.672 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.884 13.924 -48.310 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.786 11.866 -46.418 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.786 13.263 -46.077 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -12.494 12.931 -45.245 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -11.592 14.432 -45.178 1.00 0.00 H new ATOM 681 N ALA A 48 -12.807 14.108 -50.531 1.00 0.00 N ATOM 682 CA ALA A 48 -13.604 13.565 -51.658 1.00 0.00 C ATOM 683 C ALA A 48 -13.014 12.250 -52.147 1.00 0.00 C ATOM 684 O ALA A 48 -12.401 12.192 -53.194 1.00 0.00 O ATOM 685 CB ALA A 48 -13.569 14.582 -52.809 1.00 0.00 C ATOM 0 H ALA A 48 -12.211 14.904 -50.759 1.00 0.00 H new ATOM 0 HA ALA A 48 -14.626 13.388 -51.323 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -14.150 14.201 -53.649 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -13.995 15.527 -52.472 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -12.537 14.740 -53.124 1.00 0.00 H new ATOM 691 N GLY A 49 -13.209 11.217 -51.377 1.00 0.00 N ATOM 692 CA GLY A 49 -12.664 9.894 -51.781 1.00 0.00 C ATOM 693 C GLY A 49 -12.847 8.881 -50.654 1.00 0.00 C ATOM 694 O GLY A 49 -13.045 7.708 -50.898 1.00 0.00 O ATOM 0 H GLY A 49 -13.718 11.231 -50.493 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.170 9.543 -52.680 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.606 9.988 -52.027 1.00 0.00 H new ATOM 698 N VAL A 50 -12.779 9.356 -49.440 1.00 0.00 N ATOM 699 CA VAL A 50 -12.943 8.437 -48.290 1.00 0.00 C ATOM 700 C VAL A 50 -14.387 8.422 -47.802 1.00 0.00 C ATOM 701 O VAL A 50 -14.843 9.356 -47.173 1.00 0.00 O ATOM 702 CB VAL A 50 -12.046 8.922 -47.149 1.00 0.00 C ATOM 703 CG1 VAL A 50 -12.308 8.061 -45.914 1.00 0.00 C ATOM 704 CG2 VAL A 50 -10.583 8.771 -47.566 1.00 0.00 C ATOM 0 H VAL A 50 -12.618 10.334 -49.201 1.00 0.00 H new ATOM 0 HA VAL A 50 -12.671 7.429 -48.604 1.00 0.00 H new ATOM 0 HB VAL A 50 -12.259 9.967 -46.925 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.674 8.398 -45.094 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -13.355 8.151 -45.623 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -12.083 7.019 -46.142 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.937 9.115 -46.758 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.372 7.723 -47.779 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.396 9.368 -48.459 1.00 0.00 H new ATOM 714 N ASN A 51 -15.083 7.360 -48.101 1.00 0.00 N ATOM 715 CA ASN A 51 -16.496 7.269 -47.659 1.00 0.00 C ATOM 716 C ASN A 51 -16.611 7.535 -46.163 1.00 0.00 C ATOM 717 O ASN A 51 -15.749 7.156 -45.395 1.00 0.00 O ATOM 718 CB ASN A 51 -17.004 5.850 -47.951 1.00 0.00 C ATOM 719 CG ASN A 51 -17.424 5.756 -49.419 1.00 0.00 C ATOM 720 OD1 ASN A 51 -16.700 6.152 -50.311 1.00 0.00 O ATOM 721 ND2 ASN A 51 -18.586 5.239 -49.714 1.00 0.00 N ATOM 0 H ASN A 51 -14.735 6.559 -48.628 1.00 0.00 H new ATOM 0 HA ASN A 51 -17.087 8.013 -48.193 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -16.223 5.120 -47.737 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -17.848 5.613 -47.303 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -18.881 5.170 -50.688 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -19.199 4.905 -48.970 1.00 0.00 H new ATOM 728 N ALA A 52 -17.674 8.182 -45.775 1.00 0.00 N ATOM 729 CA ALA A 52 -17.855 8.483 -44.337 1.00 0.00 C ATOM 730 C ALA A 52 -18.674 7.396 -43.653 1.00 0.00 C ATOM 731 O ALA A 52 -18.880 7.431 -42.458 1.00 0.00 O ATOM 732 CB ALA A 52 -18.606 9.818 -44.212 1.00 0.00 C ATOM 0 H ALA A 52 -18.418 8.512 -46.390 1.00 0.00 H new ATOM 0 HA ALA A 52 -16.876 8.535 -43.860 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -18.749 10.058 -43.158 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -18.025 10.608 -44.688 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -19.577 9.736 -44.701 1.00 0.00 H new ATOM 738 N GLU A 53 -19.126 6.447 -44.424 1.00 0.00 N ATOM 739 CA GLU A 53 -19.934 5.353 -43.830 1.00 0.00 C ATOM 740 C GLU A 53 -19.044 4.197 -43.387 1.00 0.00 C ATOM 741 O GLU A 53 -19.428 3.400 -42.556 1.00 0.00 O ATOM 742 CB GLU A 53 -20.919 4.842 -44.892 1.00 0.00 C ATOM 743 CG GLU A 53 -22.305 4.698 -44.260 1.00 0.00 C ATOM 744 CD GLU A 53 -23.224 3.939 -45.219 1.00 0.00 C ATOM 745 OE1 GLU A 53 -23.022 4.110 -46.410 1.00 0.00 O ATOM 746 OE2 GLU A 53 -24.076 3.232 -44.707 1.00 0.00 O ATOM 0 H GLU A 53 -18.972 6.383 -45.430 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.464 5.738 -42.959 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -20.959 5.535 -45.732 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -20.583 3.883 -45.286 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -22.231 4.166 -43.312 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.721 5.681 -44.042 1.00 0.00 H new ATOM 753 N LYS A 54 -17.870 4.126 -43.953 1.00 0.00 N ATOM 754 CA LYS A 54 -16.946 3.028 -43.574 1.00 0.00 C ATOM 755 C LYS A 54 -16.272 3.320 -42.239 1.00 0.00 C ATOM 756 O LYS A 54 -15.891 2.412 -41.527 1.00 0.00 O ATOM 757 CB LYS A 54 -15.853 2.914 -44.651 1.00 0.00 C ATOM 758 CG LYS A 54 -16.497 2.599 -46.003 1.00 0.00 C ATOM 759 CD LYS A 54 -16.594 1.084 -46.174 1.00 0.00 C ATOM 760 CE LYS A 54 -17.719 0.770 -47.157 1.00 0.00 C ATOM 761 NZ LYS A 54 -17.515 -0.570 -47.773 1.00 0.00 N ATOM 0 H LYS A 54 -17.516 4.776 -44.655 1.00 0.00 H new ATOM 0 HA LYS A 54 -17.518 2.104 -43.489 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.290 3.846 -44.713 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -15.144 2.131 -44.383 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -17.489 3.047 -46.060 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -15.905 3.031 -46.810 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -15.649 0.685 -46.542 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -16.789 0.608 -45.213 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -18.679 0.797 -46.641 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -17.754 1.533 -47.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -18.289 -0.767 -48.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -16.608 -0.584 -48.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -17.505 -1.296 -47.029 1.00 0.00 H new ATOM 775 N ILE A 55 -16.140 4.588 -41.923 1.00 0.00 N ATOM 776 CA ILE A 55 -15.475 4.966 -40.642 1.00 0.00 C ATOM 777 C ILE A 55 -16.483 5.451 -39.599 1.00 0.00 C ATOM 778 O ILE A 55 -16.150 5.590 -38.438 1.00 0.00 O ATOM 779 CB ILE A 55 -14.491 6.101 -40.936 1.00 0.00 C ATOM 780 CG1 ILE A 55 -15.088 7.044 -41.983 1.00 0.00 C ATOM 781 CG2 ILE A 55 -13.193 5.484 -41.502 1.00 0.00 C ATOM 782 CD1 ILE A 55 -14.205 8.295 -42.128 1.00 0.00 C ATOM 0 H ILE A 55 -16.462 5.369 -42.494 1.00 0.00 H new ATOM 0 HA ILE A 55 -14.971 4.087 -40.240 1.00 0.00 H new ATOM 0 HB ILE A 55 -14.286 6.659 -40.023 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -15.168 6.532 -42.942 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -16.097 7.333 -41.691 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -12.477 6.277 -41.719 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -12.766 4.800 -40.769 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -13.419 4.939 -42.419 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -14.637 8.961 -42.875 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -14.147 8.813 -41.171 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -13.204 7.999 -42.441 1.00 0.00 H new ATOM 794 N SER A 56 -17.692 5.703 -40.020 1.00 0.00 N ATOM 795 CA SER A 56 -18.711 6.178 -39.049 1.00 0.00 C ATOM 796 C SER A 56 -19.262 5.027 -38.217 1.00 0.00 C ATOM 797 O SER A 56 -19.005 3.873 -38.497 1.00 0.00 O ATOM 798 CB SER A 56 -19.867 6.814 -39.831 1.00 0.00 C ATOM 799 OG SER A 56 -19.361 8.077 -40.235 1.00 0.00 O ATOM 0 H SER A 56 -18.014 5.602 -40.983 1.00 0.00 H new ATOM 0 HA SER A 56 -18.243 6.897 -38.377 1.00 0.00 H new ATOM 0 HB2 SER A 56 -20.149 6.205 -40.690 1.00 0.00 H new ATOM 0 HB3 SER A 56 -20.756 6.921 -39.210 1.00 0.00 H new ATOM 0 HG SER A 56 -19.326 8.118 -41.214 1.00 0.00 H new ATOM 805 N GLN A 57 -20.011 5.374 -37.204 1.00 0.00 N ATOM 806 CA GLN A 57 -20.606 4.337 -36.322 1.00 0.00 C ATOM 807 C GLN A 57 -22.087 4.649 -36.059 1.00 0.00 C ATOM 808 O GLN A 57 -22.448 5.074 -34.979 1.00 0.00 O ATOM 809 CB GLN A 57 -19.854 4.374 -34.980 1.00 0.00 C ATOM 810 CG GLN A 57 -18.387 4.002 -35.215 1.00 0.00 C ATOM 811 CD GLN A 57 -17.745 3.611 -33.882 1.00 0.00 C ATOM 812 OE1 GLN A 57 -18.401 3.533 -32.864 1.00 0.00 O ATOM 813 NE2 GLN A 57 -16.463 3.358 -33.845 1.00 0.00 N ATOM 0 H GLN A 57 -20.235 6.336 -36.951 1.00 0.00 H new ATOM 0 HA GLN A 57 -20.527 3.359 -36.797 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -19.923 5.368 -34.538 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -20.310 3.679 -34.275 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -18.318 3.175 -35.921 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -17.853 4.843 -35.656 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -15.906 3.422 -34.697 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -16.020 3.097 -32.964 1.00 0.00 H new ATOM 822 N PRO A 58 -22.928 4.422 -37.062 1.00 0.00 N ATOM 823 CA PRO A 58 -24.356 4.709 -36.935 1.00 0.00 C ATOM 824 C PRO A 58 -24.989 3.917 -35.798 1.00 0.00 C ATOM 825 O PRO A 58 -26.040 4.272 -35.302 1.00 0.00 O ATOM 826 CB PRO A 58 -24.971 4.282 -38.285 1.00 0.00 C ATOM 827 CG PRO A 58 -23.796 3.835 -39.208 1.00 0.00 C ATOM 828 CD PRO A 58 -22.515 3.856 -38.357 1.00 0.00 C ATOM 0 HA PRO A 58 -24.528 5.761 -36.707 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -25.680 3.467 -38.144 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -25.521 5.108 -38.736 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -23.977 2.836 -39.605 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -23.701 4.505 -40.062 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -22.104 2.853 -38.237 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -21.740 4.464 -38.825 1.00 0.00 H new ATOM 836 N GLU A 59 -24.339 2.860 -35.405 1.00 0.00 N ATOM 837 CA GLU A 59 -24.886 2.045 -34.297 1.00 0.00 C ATOM 838 C GLU A 59 -24.378 2.558 -32.955 1.00 0.00 C ATOM 839 O GLU A 59 -23.227 2.381 -32.614 1.00 0.00 O ATOM 840 CB GLU A 59 -24.425 0.588 -34.484 1.00 0.00 C ATOM 841 CG GLU A 59 -22.894 0.527 -34.470 1.00 0.00 C ATOM 842 CD GLU A 59 -22.425 -0.580 -35.417 1.00 0.00 C ATOM 843 OE1 GLU A 59 -22.714 -1.723 -35.098 1.00 0.00 O ATOM 844 OE2 GLU A 59 -21.806 -0.223 -36.404 1.00 0.00 O ATOM 0 H GLU A 59 -23.459 2.530 -35.802 1.00 0.00 H new ATOM 0 HA GLU A 59 -25.974 2.109 -34.309 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -24.831 -0.037 -33.689 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -24.806 0.193 -35.426 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -22.477 1.486 -34.778 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -22.535 0.333 -33.459 1.00 0.00 H new ATOM 851 N TYR A 60 -25.246 3.193 -32.221 1.00 0.00 N ATOM 852 CA TYR A 60 -24.834 3.722 -30.904 1.00 0.00 C ATOM 853 C TYR A 60 -24.172 2.634 -30.065 1.00 0.00 C ATOM 854 O TYR A 60 -24.266 1.463 -30.380 1.00 0.00 O ATOM 855 CB TYR A 60 -26.093 4.210 -30.176 1.00 0.00 C ATOM 856 CG TYR A 60 -26.904 5.108 -31.113 1.00 0.00 C ATOM 857 CD1 TYR A 60 -27.804 4.558 -32.005 1.00 0.00 C ATOM 858 CD2 TYR A 60 -26.747 6.478 -31.081 1.00 0.00 C ATOM 859 CE1 TYR A 60 -28.535 5.366 -32.849 1.00 0.00 C ATOM 860 CE2 TYR A 60 -27.480 7.287 -31.926 1.00 0.00 C ATOM 861 CZ TYR A 60 -28.379 6.737 -32.818 1.00 0.00 C ATOM 862 OH TYR A 60 -29.110 7.547 -33.664 1.00 0.00 O ATOM 0 H TYR A 60 -26.218 3.366 -32.479 1.00 0.00 H new ATOM 0 HA TYR A 60 -24.119 4.532 -31.048 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -26.695 3.359 -29.858 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -25.817 4.760 -29.276 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -27.936 3.487 -32.041 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -26.045 6.921 -30.390 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -29.236 4.922 -33.541 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -27.349 8.358 -31.889 1.00 0.00 H new ATOM 0 HH TYR A 60 -28.873 8.485 -33.505 1.00 0.00 H new ATOM 872 N LEU A 61 -23.509 3.040 -29.010 1.00 0.00 N ATOM 873 CA LEU A 61 -22.843 2.044 -28.130 1.00 0.00 C ATOM 874 C LEU A 61 -23.025 2.423 -26.664 1.00 0.00 C ATOM 875 O LEU A 61 -22.717 3.528 -26.267 1.00 0.00 O ATOM 876 CB LEU A 61 -21.334 2.007 -28.469 1.00 0.00 C ATOM 877 CG LEU A 61 -20.689 3.365 -28.170 1.00 0.00 C ATOM 878 CD1 LEU A 61 -19.928 3.284 -26.842 1.00 0.00 C ATOM 879 CD2 LEU A 61 -19.698 3.704 -29.287 1.00 0.00 C ATOM 0 H LEU A 61 -23.403 4.014 -28.725 1.00 0.00 H new ATOM 0 HA LEU A 61 -23.290 1.064 -28.295 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -20.843 1.227 -27.887 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -21.196 1.755 -29.520 1.00 0.00 H new ATOM 0 HG LEU A 61 -21.461 4.132 -28.108 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -19.468 4.249 -26.627 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -20.621 3.025 -26.041 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -19.153 2.520 -26.913 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -19.235 4.669 -29.082 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -18.928 2.935 -29.336 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -20.225 3.750 -30.240 1.00 0.00 H new ATOM 891 N ASN A 62 -23.531 1.489 -25.889 1.00 0.00 N ATOM 892 CA ASN A 62 -23.759 1.765 -24.440 1.00 0.00 C ATOM 893 C ASN A 62 -22.929 0.832 -23.568 1.00 0.00 C ATOM 894 O ASN A 62 -23.360 0.429 -22.507 1.00 0.00 O ATOM 895 CB ASN A 62 -25.246 1.526 -24.134 1.00 0.00 C ATOM 896 CG ASN A 62 -25.633 0.117 -24.591 1.00 0.00 C ATOM 897 OD1 ASN A 62 -24.973 -0.483 -25.415 1.00 0.00 O ATOM 898 ND2 ASN A 62 -26.697 -0.445 -24.084 1.00 0.00 N ATOM 0 H ASN A 62 -23.793 0.554 -26.200 1.00 0.00 H new ATOM 0 HA ASN A 62 -23.468 2.793 -24.225 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -25.433 1.639 -23.066 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -25.859 2.268 -24.645 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -26.969 -1.382 -24.381 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -27.256 0.053 -23.391 1.00 0.00 H new ATOM 905 N GLY A 63 -21.755 0.506 -24.028 1.00 0.00 N ATOM 906 CA GLY A 63 -20.884 -0.397 -23.225 1.00 0.00 C ATOM 907 C GLY A 63 -20.036 0.419 -22.246 1.00 0.00 C ATOM 908 O GLY A 63 -20.235 1.608 -22.095 1.00 0.00 O ATOM 0 H GLY A 63 -21.363 0.821 -24.915 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -21.497 -1.113 -22.677 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -20.236 -0.972 -23.887 1.00 0.00 H new ATOM 912 N ALA A 64 -19.114 -0.245 -21.597 1.00 0.00 N ATOM 913 CA ALA A 64 -18.231 0.465 -20.628 1.00 0.00 C ATOM 914 C ALA A 64 -16.784 0.064 -20.852 1.00 0.00 C ATOM 915 O ALA A 64 -16.378 -1.027 -20.504 1.00 0.00 O ATOM 916 CB ALA A 64 -18.641 0.061 -19.204 1.00 0.00 C ATOM 0 H ALA A 64 -18.936 -1.244 -21.697 1.00 0.00 H new ATOM 0 HA ALA A 64 -18.332 1.541 -20.767 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -18.004 0.573 -18.483 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -19.680 0.340 -19.032 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -18.530 -1.017 -19.085 1.00 0.00 H new ATOM 922 N GLY A 65 -16.027 0.954 -21.428 1.00 0.00 N ATOM 923 CA GLY A 65 -14.601 0.632 -21.697 1.00 0.00 C ATOM 924 C GLY A 65 -14.454 0.092 -23.118 1.00 0.00 C ATOM 925 O GLY A 65 -13.359 -0.044 -23.625 1.00 0.00 O ATOM 0 H GLY A 65 -16.331 1.882 -21.722 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.987 1.524 -21.571 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.243 -0.105 -20.979 1.00 0.00 H new ATOM 929 N GLU A 66 -15.570 -0.205 -23.730 1.00 0.00 N ATOM 930 CA GLU A 66 -15.524 -0.729 -25.115 1.00 0.00 C ATOM 931 C GLU A 66 -14.663 0.168 -25.992 1.00 0.00 C ATOM 932 O GLU A 66 -14.417 1.309 -25.654 1.00 0.00 O ATOM 933 CB GLU A 66 -16.956 -0.752 -25.672 1.00 0.00 C ATOM 934 CG GLU A 66 -17.547 -2.151 -25.476 1.00 0.00 C ATOM 935 CD GLU A 66 -17.053 -3.072 -26.596 1.00 0.00 C ATOM 936 OE1 GLU A 66 -15.884 -3.414 -26.538 1.00 0.00 O ATOM 937 OE2 GLU A 66 -17.873 -3.380 -27.445 1.00 0.00 O ATOM 0 H GLU A 66 -16.503 -0.106 -23.329 1.00 0.00 H new ATOM 0 HA GLU A 66 -15.095 -1.731 -25.111 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.570 -0.010 -25.162 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.952 -0.490 -26.730 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.252 -2.550 -24.505 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -18.636 -2.102 -25.483 1.00 0.00 H new ATOM 944 N THR A 67 -14.221 -0.357 -27.106 1.00 0.00 N ATOM 945 CA THR A 67 -13.362 0.461 -28.003 1.00 0.00 C ATOM 946 C THR A 67 -13.616 0.128 -29.476 1.00 0.00 C ATOM 947 O THR A 67 -14.126 -0.928 -29.795 1.00 0.00 O ATOM 948 CB THR A 67 -11.899 0.132 -27.683 1.00 0.00 C ATOM 949 OG1 THR A 67 -11.715 -1.199 -28.123 1.00 0.00 O ATOM 950 CG2 THR A 67 -11.669 0.067 -26.168 1.00 0.00 C ATOM 0 H THR A 67 -14.416 -1.305 -27.428 1.00 0.00 H new ATOM 0 HA THR A 67 -13.588 1.515 -27.842 1.00 0.00 H new ATOM 0 HB THR A 67 -11.246 0.877 -28.136 1.00 0.00 H new ATOM 0 HG1 THR A 67 -10.791 -1.476 -27.949 1.00 0.00 H new ATOM 0 HG21 THR A 67 -10.623 -0.168 -25.968 1.00 0.00 H new ATOM 0 HG22 THR A 67 -11.916 1.030 -25.721 1.00 0.00 H new ATOM 0 HG23 THR A 67 -12.303 -0.707 -25.737 1.00 0.00 H new ATOM 958 N TYR A 68 -13.256 1.047 -30.347 1.00 0.00 N ATOM 959 CA TYR A 68 -13.447 0.799 -31.807 1.00 0.00 C ATOM 960 C TYR A 68 -12.196 1.245 -32.565 1.00 0.00 C ATOM 961 O TYR A 68 -11.652 2.295 -32.283 1.00 0.00 O ATOM 962 CB TYR A 68 -14.652 1.617 -32.297 1.00 0.00 C ATOM 963 CG TYR A 68 -15.069 1.116 -33.686 1.00 0.00 C ATOM 964 CD1 TYR A 68 -14.326 1.421 -34.808 1.00 0.00 C ATOM 965 CD2 TYR A 68 -16.207 0.346 -33.828 1.00 0.00 C ATOM 966 CE1 TYR A 68 -14.716 0.959 -36.051 1.00 0.00 C ATOM 967 CE2 TYR A 68 -16.594 -0.112 -35.069 1.00 0.00 C ATOM 968 CZ TYR A 68 -15.852 0.190 -36.190 1.00 0.00 C ATOM 969 OH TYR A 68 -16.240 -0.270 -37.431 1.00 0.00 O ATOM 0 H TYR A 68 -12.842 1.948 -30.108 1.00 0.00 H new ATOM 0 HA TYR A 68 -13.621 -0.263 -31.982 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -15.482 1.519 -31.597 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -14.395 2.675 -32.341 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -13.435 2.024 -34.714 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -16.799 0.101 -32.959 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -14.125 1.203 -36.922 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -17.487 -0.713 -35.164 1.00 0.00 H new ATOM 0 HH TYR A 68 -17.062 -0.796 -37.342 1.00 0.00 H new ATOM 979 N GLU A 69 -11.761 0.449 -33.515 1.00 0.00 N ATOM 980 CA GLU A 69 -10.525 0.820 -34.272 1.00 0.00 C ATOM 981 C GLU A 69 -10.837 1.446 -35.629 1.00 0.00 C ATOM 982 O GLU A 69 -11.853 1.170 -36.232 1.00 0.00 O ATOM 983 CB GLU A 69 -9.700 -0.452 -34.507 1.00 0.00 C ATOM 984 CG GLU A 69 -9.753 -1.328 -33.254 1.00 0.00 C ATOM 985 CD GLU A 69 -10.848 -2.383 -33.420 1.00 0.00 C ATOM 986 OE1 GLU A 69 -10.552 -3.370 -34.072 1.00 0.00 O ATOM 987 OE2 GLU A 69 -11.918 -2.141 -32.887 1.00 0.00 O ATOM 0 H GLU A 69 -12.201 -0.428 -33.794 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.981 1.556 -33.680 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.091 -1.000 -35.364 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.667 -0.192 -34.739 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.789 -1.810 -33.093 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.953 -0.714 -32.376 1.00 0.00 H new ATOM 994 N VAL A 70 -9.929 2.280 -36.082 1.00 0.00 N ATOM 995 CA VAL A 70 -10.104 2.949 -37.394 1.00 0.00 C ATOM 996 C VAL A 70 -8.734 3.343 -37.934 1.00 0.00 C ATOM 997 O VAL A 70 -7.916 3.869 -37.207 1.00 0.00 O ATOM 998 CB VAL A 70 -10.986 4.221 -37.187 1.00 0.00 C ATOM 999 CG1 VAL A 70 -10.396 5.429 -37.928 1.00 0.00 C ATOM 1000 CG2 VAL A 70 -12.387 3.955 -37.740 1.00 0.00 C ATOM 0 H VAL A 70 -9.070 2.522 -35.588 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.589 2.281 -38.106 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.022 4.441 -36.120 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.031 6.300 -37.766 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.394 5.634 -37.550 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -10.343 5.211 -38.995 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -13.008 4.840 -37.598 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -12.321 3.724 -38.803 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -12.832 3.111 -37.213 1.00 0.00 H new ATOM 1010 N THR A 71 -8.504 3.073 -39.198 1.00 0.00 N ATOM 1011 CA THR A 71 -7.187 3.417 -39.793 1.00 0.00 C ATOM 1012 C THR A 71 -7.355 4.218 -41.077 1.00 0.00 C ATOM 1013 O THR A 71 -7.561 3.660 -42.136 1.00 0.00 O ATOM 1014 CB THR A 71 -6.471 2.108 -40.121 1.00 0.00 C ATOM 1015 OG1 THR A 71 -6.618 1.305 -38.966 1.00 0.00 O ATOM 1016 CG2 THR A 71 -4.957 2.324 -40.247 1.00 0.00 C ATOM 0 H THR A 71 -9.170 2.633 -39.833 1.00 0.00 H new ATOM 0 HA THR A 71 -6.619 4.022 -39.086 1.00 0.00 H new ATOM 0 HB THR A 71 -6.873 1.690 -41.044 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.179 0.441 -39.110 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.472 1.376 -40.481 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.757 3.040 -41.044 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.565 2.709 -39.306 1.00 0.00 H new ATOM 1024 N LEU A 72 -7.263 5.518 -40.961 1.00 0.00 N ATOM 1025 CA LEU A 72 -7.403 6.365 -42.170 1.00 0.00 C ATOM 1026 C LEU A 72 -6.099 6.376 -42.947 1.00 0.00 C ATOM 1027 O LEU A 72 -5.047 6.118 -42.398 1.00 0.00 O ATOM 1028 CB LEU A 72 -7.735 7.813 -41.743 1.00 0.00 C ATOM 1029 CG LEU A 72 -8.953 7.821 -40.795 1.00 0.00 C ATOM 1030 CD1 LEU A 72 -8.973 9.133 -40.012 1.00 0.00 C ATOM 1031 CD2 LEU A 72 -10.242 7.717 -41.609 1.00 0.00 C ATOM 0 H LEU A 72 -7.099 6.020 -40.089 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.200 5.963 -42.795 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.874 8.260 -41.245 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.945 8.421 -42.623 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.880 6.975 -40.112 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.832 9.143 -39.341 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.056 9.223 -39.429 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.045 9.970 -40.706 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.099 7.723 -40.936 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.311 8.564 -42.291 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.237 6.789 -42.182 1.00 0.00 H new ATOM 1043 N THR A 73 -6.185 6.679 -44.208 1.00 0.00 N ATOM 1044 CA THR A 73 -4.953 6.691 -45.033 1.00 0.00 C ATOM 1045 C THR A 73 -5.052 7.699 -46.168 1.00 0.00 C ATOM 1046 O THR A 73 -4.720 7.391 -47.296 1.00 0.00 O ATOM 1047 CB THR A 73 -4.764 5.298 -45.645 1.00 0.00 C ATOM 1048 OG1 THR A 73 -5.937 5.059 -46.397 1.00 0.00 O ATOM 1049 CG2 THR A 73 -4.771 4.208 -44.564 1.00 0.00 C ATOM 0 H THR A 73 -7.047 6.917 -44.699 1.00 0.00 H new ATOM 0 HA THR A 73 -4.114 6.967 -44.394 1.00 0.00 H new ATOM 0 HB THR A 73 -3.828 5.269 -46.203 1.00 0.00 H new ATOM 0 HG1 THR A 73 -5.880 4.177 -46.820 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.635 3.232 -45.030 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.960 4.390 -43.859 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.723 4.227 -44.034 1.00 0.00 H new ATOM 1057 N GLU A 74 -5.509 8.884 -45.859 1.00 0.00 N ATOM 1058 CA GLU A 74 -5.620 9.917 -46.924 1.00 0.00 C ATOM 1059 C GLU A 74 -5.258 11.284 -46.376 1.00 0.00 C ATOM 1060 O GLU A 74 -5.952 11.829 -45.543 1.00 0.00 O ATOM 1061 CB GLU A 74 -7.069 9.944 -47.437 1.00 0.00 C ATOM 1062 CG GLU A 74 -7.083 9.569 -48.922 1.00 0.00 C ATOM 1063 CD GLU A 74 -6.351 10.648 -49.724 1.00 0.00 C ATOM 1064 OE1 GLU A 74 -6.964 11.686 -49.918 1.00 0.00 O ATOM 1065 OE2 GLU A 74 -5.223 10.373 -50.097 1.00 0.00 O ATOM 0 H GLU A 74 -5.806 9.176 -44.928 1.00 0.00 H new ATOM 0 HA GLU A 74 -4.934 9.672 -47.735 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.682 9.246 -46.867 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.499 10.935 -47.296 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.602 8.602 -49.069 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.110 9.472 -49.274 1.00 0.00 H new ATOM 1072 N LYS A 75 -4.172 11.815 -46.856 1.00 0.00 N ATOM 1073 CA LYS A 75 -3.738 13.138 -46.366 1.00 0.00 C ATOM 1074 C LYS A 75 -4.862 14.153 -46.468 1.00 0.00 C ATOM 1075 O LYS A 75 -5.358 14.432 -47.541 1.00 0.00 O ATOM 1076 CB LYS A 75 -2.551 13.612 -47.223 1.00 0.00 C ATOM 1077 CG LYS A 75 -3.036 13.895 -48.652 1.00 0.00 C ATOM 1078 CD LYS A 75 -1.876 13.686 -49.642 1.00 0.00 C ATOM 1079 CE LYS A 75 -1.517 12.195 -49.727 1.00 0.00 C ATOM 1080 NZ LYS A 75 -0.167 11.956 -49.149 1.00 0.00 N ATOM 0 H LYS A 75 -3.572 11.389 -47.563 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.450 13.050 -45.319 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.112 14.511 -46.791 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.770 12.851 -47.236 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.865 13.234 -48.903 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.410 14.916 -48.724 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.157 14.057 -50.628 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.006 14.260 -49.322 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.260 11.604 -49.191 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.538 11.867 -50.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.137 11.011 -48.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.548 12.014 -49.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.033 12.675 -48.425 1.00 0.00 H new ATOM 1094 N GLY A 76 -5.245 14.687 -45.345 1.00 0.00 N ATOM 1095 CA GLY A 76 -6.336 15.691 -45.355 1.00 0.00 C ATOM 1096 C GLY A 76 -6.895 15.872 -43.950 1.00 0.00 C ATOM 1097 O GLY A 76 -6.179 15.745 -42.975 1.00 0.00 O ATOM 0 H GLY A 76 -4.852 14.473 -44.428 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.961 16.643 -45.731 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.129 15.371 -46.032 1.00 0.00 H new ATOM 1101 N THR A 77 -8.164 16.160 -43.875 1.00 0.00 N ATOM 1102 CA THR A 77 -8.793 16.355 -42.550 1.00 0.00 C ATOM 1103 C THR A 77 -10.186 15.746 -42.520 1.00 0.00 C ATOM 1104 O THR A 77 -10.993 15.992 -43.394 1.00 0.00 O ATOM 1105 CB THR A 77 -8.902 17.857 -42.283 1.00 0.00 C ATOM 1106 OG1 THR A 77 -8.190 18.476 -43.334 1.00 0.00 O ATOM 1107 CG2 THR A 77 -8.133 18.247 -41.013 1.00 0.00 C ATOM 0 H THR A 77 -8.788 16.268 -44.675 1.00 0.00 H new ATOM 0 HA THR A 77 -8.183 15.867 -41.790 1.00 0.00 H new ATOM 0 HB THR A 77 -9.951 18.139 -42.194 1.00 0.00 H new ATOM 0 HG1 THR A 77 -8.223 19.449 -43.223 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.227 19.320 -40.846 1.00 0.00 H new ATOM 0 HG22 THR A 77 -8.545 17.710 -40.159 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.081 17.989 -41.131 1.00 0.00 H new ATOM 1115 N TYR A 78 -10.436 14.961 -41.506 1.00 0.00 N ATOM 1116 CA TYR A 78 -11.764 14.310 -41.369 1.00 0.00 C ATOM 1117 C TYR A 78 -12.452 14.854 -40.123 1.00 0.00 C ATOM 1118 O TYR A 78 -11.903 14.777 -39.038 1.00 0.00 O ATOM 1119 CB TYR A 78 -11.556 12.793 -41.177 1.00 0.00 C ATOM 1120 CG TYR A 78 -10.573 12.227 -42.224 1.00 0.00 C ATOM 1121 CD1 TYR A 78 -9.230 12.573 -42.207 1.00 0.00 C ATOM 1122 CD2 TYR A 78 -11.019 11.354 -43.195 1.00 0.00 C ATOM 1123 CE1 TYR A 78 -8.362 12.056 -43.140 1.00 0.00 C ATOM 1124 CE2 TYR A 78 -10.144 10.837 -44.127 1.00 0.00 C ATOM 1125 CZ TYR A 78 -8.808 11.184 -44.104 1.00 0.00 C ATOM 1126 OH TYR A 78 -7.928 10.655 -45.023 1.00 0.00 O ATOM 0 H TYR A 78 -9.771 14.744 -40.764 1.00 0.00 H new ATOM 0 HA TYR A 78 -12.367 14.506 -42.256 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -11.174 12.600 -40.174 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -12.514 12.279 -41.258 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -8.863 13.255 -41.454 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -12.061 11.073 -43.225 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -7.320 12.338 -43.115 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -10.507 10.155 -44.881 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.053 11.086 -44.924 1.00 0.00 H new ATOM 1136 N LYS A 79 -13.634 15.392 -40.289 1.00 0.00 N ATOM 1137 CA LYS A 79 -14.344 15.962 -39.109 1.00 0.00 C ATOM 1138 C LYS A 79 -15.461 15.049 -38.628 1.00 0.00 C ATOM 1139 O LYS A 79 -16.371 14.739 -39.372 1.00 0.00 O ATOM 1140 CB LYS A 79 -14.981 17.305 -39.516 1.00 0.00 C ATOM 1141 CG LYS A 79 -14.323 17.842 -40.794 1.00 0.00 C ATOM 1142 CD LYS A 79 -12.810 17.960 -40.594 1.00 0.00 C ATOM 1143 CE LYS A 79 -12.369 19.376 -40.967 1.00 0.00 C ATOM 1144 NZ LYS A 79 -12.704 19.671 -42.388 1.00 0.00 N ATOM 0 H LYS A 79 -14.130 15.460 -41.177 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.616 16.083 -38.307 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -16.051 17.173 -39.678 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -14.867 18.029 -38.709 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -14.537 17.176 -41.630 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.742 18.816 -41.047 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.549 17.745 -39.558 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.290 17.228 -41.212 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.858 20.099 -40.314 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.295 19.481 -40.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.042 20.382 -42.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.629 18.800 -42.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.675 20.038 -42.447 1.00 0.00 H new ATOM 1158 N PHE A 80 -15.368 14.630 -37.385 1.00 0.00 N ATOM 1159 CA PHE A 80 -16.433 13.765 -36.816 1.00 0.00 C ATOM 1160 C PHE A 80 -16.904 14.320 -35.488 1.00 0.00 C ATOM 1161 O PHE A 80 -16.346 15.264 -34.975 1.00 0.00 O ATOM 1162 CB PHE A 80 -15.896 12.333 -36.611 1.00 0.00 C ATOM 1163 CG PHE A 80 -14.582 12.357 -35.825 1.00 0.00 C ATOM 1164 CD1 PHE A 80 -13.422 12.851 -36.399 1.00 0.00 C ATOM 1165 CD2 PHE A 80 -14.536 11.876 -34.525 1.00 0.00 C ATOM 1166 CE1 PHE A 80 -12.242 12.866 -35.684 1.00 0.00 C ATOM 1167 CE2 PHE A 80 -13.354 11.891 -33.816 1.00 0.00 C ATOM 1168 CZ PHE A 80 -12.209 12.385 -34.393 1.00 0.00 C ATOM 0 H PHE A 80 -14.602 14.853 -36.750 1.00 0.00 H new ATOM 0 HA PHE A 80 -17.271 13.742 -37.513 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -16.634 11.735 -36.077 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -15.739 11.856 -37.578 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -13.441 13.226 -37.411 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -15.432 11.487 -34.065 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -11.342 13.256 -36.137 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -13.328 11.514 -32.804 1.00 0.00 H new ATOM 0 HZ PHE A 80 -11.284 12.396 -33.835 1.00 0.00 H new ATOM 1178 N TYR A 81 -17.925 13.730 -34.959 1.00 0.00 N ATOM 1179 CA TYR A 81 -18.471 14.227 -33.678 1.00 0.00 C ATOM 1180 C TYR A 81 -19.517 13.270 -33.129 1.00 0.00 C ATOM 1181 O TYR A 81 -19.728 12.204 -33.675 1.00 0.00 O ATOM 1182 CB TYR A 81 -19.141 15.582 -33.950 1.00 0.00 C ATOM 1183 CG TYR A 81 -20.258 15.393 -34.975 1.00 0.00 C ATOM 1184 CD1 TYR A 81 -19.975 15.364 -36.326 1.00 0.00 C ATOM 1185 CD2 TYR A 81 -21.565 15.245 -34.564 1.00 0.00 C ATOM 1186 CE1 TYR A 81 -20.984 15.193 -37.248 1.00 0.00 C ATOM 1187 CE2 TYR A 81 -22.574 15.072 -35.486 1.00 0.00 C ATOM 1188 CZ TYR A 81 -22.292 15.044 -36.836 1.00 0.00 C ATOM 1189 OH TYR A 81 -23.301 14.866 -37.759 1.00 0.00 O ATOM 0 H TYR A 81 -18.407 12.924 -35.357 1.00 0.00 H new ATOM 0 HA TYR A 81 -17.665 14.316 -32.950 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -19.545 15.993 -33.025 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -18.407 16.296 -34.322 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -18.955 15.476 -36.662 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -21.800 15.265 -33.510 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -20.749 15.175 -38.302 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -23.594 14.957 -35.149 1.00 0.00 H new ATOM 0 HH TYR A 81 -24.159 14.777 -37.293 1.00 0.00 H new ATOM 1199 N CYS A 82 -20.152 13.669 -32.054 1.00 0.00 N ATOM 1200 CA CYS A 82 -21.203 12.811 -31.455 1.00 0.00 C ATOM 1201 C CYS A 82 -22.586 13.421 -31.683 1.00 0.00 C ATOM 1202 O CYS A 82 -22.791 14.597 -31.456 1.00 0.00 O ATOM 1203 CB CYS A 82 -20.942 12.725 -29.949 1.00 0.00 C ATOM 1204 SG CYS A 82 -21.453 11.207 -29.103 1.00 0.00 S ATOM 0 H CYS A 82 -19.983 14.552 -31.571 1.00 0.00 H new ATOM 0 HA CYS A 82 -21.176 11.824 -31.916 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -19.873 12.860 -29.784 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -21.447 13.564 -29.471 1.00 0.00 H new ATOM 1209 N GLU A 83 -23.509 12.613 -32.136 1.00 0.00 N ATOM 1210 CA GLU A 83 -24.877 13.134 -32.384 1.00 0.00 C ATOM 1211 C GLU A 83 -25.657 13.396 -31.073 1.00 0.00 C ATOM 1212 O GLU A 83 -26.259 14.440 -30.919 1.00 0.00 O ATOM 1213 CB GLU A 83 -25.652 12.108 -33.232 1.00 0.00 C ATOM 1214 CG GLU A 83 -26.053 12.751 -34.562 1.00 0.00 C ATOM 1215 CD GLU A 83 -26.775 11.715 -35.427 1.00 0.00 C ATOM 1216 OE1 GLU A 83 -27.431 10.876 -34.833 1.00 0.00 O ATOM 1217 OE2 GLU A 83 -26.629 11.821 -36.634 1.00 0.00 O ATOM 0 H GLU A 83 -23.372 11.623 -32.342 1.00 0.00 H new ATOM 0 HA GLU A 83 -24.781 14.087 -32.905 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -25.035 11.228 -33.412 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -26.539 11.771 -32.695 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -26.702 13.608 -34.384 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -25.169 13.122 -35.081 1.00 0.00 H new ATOM 1224 N PRO A 84 -25.640 12.437 -30.139 1.00 0.00 N ATOM 1225 CA PRO A 84 -26.367 12.602 -28.879 1.00 0.00 C ATOM 1226 C PRO A 84 -25.805 13.747 -28.042 1.00 0.00 C ATOM 1227 O PRO A 84 -26.543 14.571 -27.542 1.00 0.00 O ATOM 1228 CB PRO A 84 -26.173 11.270 -28.125 1.00 0.00 C ATOM 1229 CG PRO A 84 -25.304 10.345 -29.029 1.00 0.00 C ATOM 1230 CD PRO A 84 -24.917 11.154 -30.277 1.00 0.00 C ATOM 0 HA PRO A 84 -27.414 12.840 -29.066 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -25.683 11.440 -27.166 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -27.136 10.805 -27.913 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -24.413 10.013 -28.495 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -25.860 9.450 -29.309 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -23.840 11.311 -30.327 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -25.206 10.634 -31.190 1.00 0.00 H new ATOM 1238 N HIS A 85 -24.508 13.779 -27.904 1.00 0.00 N ATOM 1239 CA HIS A 85 -23.892 14.856 -27.093 1.00 0.00 C ATOM 1240 C HIS A 85 -23.551 16.061 -27.957 1.00 0.00 C ATOM 1241 O HIS A 85 -22.718 16.868 -27.601 1.00 0.00 O ATOM 1242 CB HIS A 85 -22.598 14.312 -26.472 1.00 0.00 C ATOM 1243 CG HIS A 85 -22.929 13.099 -25.593 1.00 0.00 C ATOM 1244 ND1 HIS A 85 -22.375 11.870 -25.788 1.00 0.00 N ATOM 1245 CD2 HIS A 85 -23.793 13.038 -24.516 1.00 0.00 C ATOM 1246 CE1 HIS A 85 -22.942 11.160 -24.819 1.00 0.00 C ATOM 1247 NE2 HIS A 85 -23.741 11.854 -24.117 1.00 0.00 N ATOM 0 H HIS A 85 -23.857 13.111 -28.315 1.00 0.00 H new ATOM 0 HA HIS A 85 -24.598 15.169 -26.324 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -21.897 14.027 -27.256 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -22.113 15.086 -25.877 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -24.387 13.842 -24.106 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -22.746 10.112 -24.648 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -24.274 11.491 -23.327 1.00 0.00 H new ATOM 1255 N ALA A 86 -24.202 16.160 -29.081 1.00 0.00 N ATOM 1256 CA ALA A 86 -23.931 17.308 -29.980 1.00 0.00 C ATOM 1257 C ALA A 86 -24.364 18.617 -29.328 1.00 0.00 C ATOM 1258 O ALA A 86 -24.252 19.673 -29.916 1.00 0.00 O ATOM 1259 CB ALA A 86 -24.735 17.110 -31.274 1.00 0.00 C ATOM 0 H ALA A 86 -24.905 15.499 -29.412 1.00 0.00 H new ATOM 0 HA ALA A 86 -22.862 17.356 -30.187 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -24.549 17.945 -31.949 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -24.429 16.180 -31.754 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -25.798 17.064 -31.038 1.00 0.00 H new ATOM 1265 N GLY A 87 -24.851 18.521 -28.119 1.00 0.00 N ATOM 1266 CA GLY A 87 -25.301 19.752 -27.410 1.00 0.00 C ATOM 1267 C GLY A 87 -24.197 20.270 -26.488 1.00 0.00 C ATOM 1268 O GLY A 87 -24.189 21.425 -26.113 1.00 0.00 O ATOM 0 H GLY A 87 -24.956 17.651 -27.597 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -25.568 20.520 -28.136 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -26.198 19.537 -26.829 1.00 0.00 H new ATOM 1272 N ALA A 88 -23.286 19.404 -26.139 1.00 0.00 N ATOM 1273 CA ALA A 88 -22.179 19.832 -25.253 1.00 0.00 C ATOM 1274 C ALA A 88 -21.003 20.332 -26.075 1.00 0.00 C ATOM 1275 O ALA A 88 -20.063 20.893 -25.546 1.00 0.00 O ATOM 1276 CB ALA A 88 -21.725 18.624 -24.419 1.00 0.00 C ATOM 0 H ALA A 88 -23.264 18.426 -26.429 1.00 0.00 H new ATOM 0 HA ALA A 88 -22.527 20.639 -24.608 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -20.909 18.922 -23.760 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -22.560 18.261 -23.820 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -21.383 17.831 -25.084 1.00 0.00 H new ATOM 1282 N GLY A 89 -21.075 20.118 -27.362 1.00 0.00 N ATOM 1283 CA GLY A 89 -19.969 20.578 -28.244 1.00 0.00 C ATOM 1284 C GLY A 89 -18.993 19.434 -28.518 1.00 0.00 C ATOM 1285 O GLY A 89 -17.861 19.660 -28.895 1.00 0.00 O ATOM 0 H GLY A 89 -21.847 19.648 -27.836 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -20.376 20.950 -29.184 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -19.442 21.409 -27.774 1.00 0.00 H new ATOM 1289 N MET A 90 -19.449 18.227 -28.327 1.00 0.00 N ATOM 1290 CA MET A 90 -18.555 17.071 -28.570 1.00 0.00 C ATOM 1291 C MET A 90 -18.180 16.970 -30.050 1.00 0.00 C ATOM 1292 O MET A 90 -18.970 16.527 -30.858 1.00 0.00 O ATOM 1293 CB MET A 90 -19.304 15.790 -28.153 1.00 0.00 C ATOM 1294 CG MET A 90 -18.423 14.973 -27.216 1.00 0.00 C ATOM 1295 SD MET A 90 -18.951 13.290 -26.835 1.00 0.00 S ATOM 1296 CE MET A 90 -17.318 12.526 -26.856 1.00 0.00 C ATOM 0 H MET A 90 -20.393 17.997 -28.016 1.00 0.00 H new ATOM 0 HA MET A 90 -17.639 17.198 -27.992 1.00 0.00 H new ATOM 0 HB2 MET A 90 -20.240 16.047 -27.658 1.00 0.00 H new ATOM 0 HB3 MET A 90 -19.561 15.202 -29.034 1.00 0.00 H new ATOM 0 HG2 MET A 90 -17.425 14.922 -27.651 1.00 0.00 H new ATOM 0 HG3 MET A 90 -18.334 15.519 -26.277 1.00 0.00 H new ATOM 0 HE1 MET A 90 -17.318 11.649 -26.208 1.00 0.00 H new ATOM 0 HE2 MET A 90 -17.070 12.225 -27.874 1.00 0.00 H new ATOM 0 HE3 MET A 90 -16.577 13.241 -26.498 1.00 0.00 H new ATOM 1306 N LYS A 91 -16.973 17.393 -30.373 1.00 0.00 N ATOM 1307 CA LYS A 91 -16.517 17.329 -31.798 1.00 0.00 C ATOM 1308 C LYS A 91 -15.187 16.604 -31.912 1.00 0.00 C ATOM 1309 O LYS A 91 -14.475 16.466 -30.948 1.00 0.00 O ATOM 1310 CB LYS A 91 -16.343 18.763 -32.320 1.00 0.00 C ATOM 1311 CG LYS A 91 -15.632 19.600 -31.257 1.00 0.00 C ATOM 1312 CD LYS A 91 -14.725 20.624 -31.945 1.00 0.00 C ATOM 1313 CE LYS A 91 -14.152 21.572 -30.889 1.00 0.00 C ATOM 1314 NZ LYS A 91 -14.739 22.933 -31.035 1.00 0.00 N ATOM 0 H LYS A 91 -16.294 17.775 -29.715 1.00 0.00 H new ATOM 0 HA LYS A 91 -17.261 16.786 -32.381 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -15.765 18.759 -33.244 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -17.315 19.198 -32.554 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -16.363 20.108 -30.629 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.043 18.956 -30.604 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -13.918 20.117 -32.473 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -15.289 21.186 -32.689 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -14.362 21.184 -29.892 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -13.068 21.625 -30.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -14.339 23.563 -30.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -14.518 23.307 -31.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -15.771 22.881 -30.917 1.00 0.00 H new ATOM 1328 N GLY A 92 -14.868 16.169 -33.105 1.00 0.00 N ATOM 1329 CA GLY A 92 -13.593 15.419 -33.295 1.00 0.00 C ATOM 1330 C GLY A 92 -12.933 15.764 -34.637 1.00 0.00 C ATOM 1331 O GLY A 92 -13.600 16.140 -35.581 1.00 0.00 O ATOM 0 H GLY A 92 -15.430 16.300 -33.946 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.907 15.652 -32.480 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -13.789 14.348 -33.249 1.00 0.00 H new ATOM 1335 N GLU A 93 -11.623 15.625 -34.688 1.00 0.00 N ATOM 1336 CA GLU A 93 -10.905 15.930 -35.953 1.00 0.00 C ATOM 1337 C GLU A 93 -9.579 15.177 -36.027 1.00 0.00 C ATOM 1338 O GLU A 93 -8.925 14.974 -35.025 1.00 0.00 O ATOM 1339 CB GLU A 93 -10.600 17.433 -35.982 1.00 0.00 C ATOM 1340 CG GLU A 93 -11.215 18.043 -37.235 1.00 0.00 C ATOM 1341 CD GLU A 93 -11.011 19.558 -37.211 1.00 0.00 C ATOM 1342 OE1 GLU A 93 -9.867 19.948 -37.044 1.00 0.00 O ATOM 1343 OE2 GLU A 93 -12.010 20.240 -37.361 1.00 0.00 O ATOM 0 H GLU A 93 -11.035 15.317 -33.913 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.531 15.628 -36.793 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -11.004 17.916 -35.092 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -9.523 17.598 -35.973 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -10.753 17.616 -38.125 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -12.278 17.808 -37.284 1.00 0.00 H new ATOM 1350 N VAL A 94 -9.209 14.765 -37.217 1.00 0.00 N ATOM 1351 CA VAL A 94 -7.910 14.054 -37.369 1.00 0.00 C ATOM 1352 C VAL A 94 -7.232 14.471 -38.664 1.00 0.00 C ATOM 1353 O VAL A 94 -7.798 14.354 -39.726 1.00 0.00 O ATOM 1354 CB VAL A 94 -8.151 12.523 -37.379 1.00 0.00 C ATOM 1355 CG1 VAL A 94 -9.293 12.175 -38.334 1.00 0.00 C ATOM 1356 CG2 VAL A 94 -6.869 11.810 -37.843 1.00 0.00 C ATOM 0 H VAL A 94 -9.745 14.890 -38.076 1.00 0.00 H new ATOM 0 HA VAL A 94 -7.265 14.316 -36.530 1.00 0.00 H new ATOM 0 HB VAL A 94 -8.416 12.198 -36.373 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -9.453 11.097 -38.332 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -10.204 12.677 -38.010 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.037 12.502 -39.342 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.035 10.733 -37.851 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.609 12.145 -38.847 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.053 12.046 -37.160 1.00 0.00 H new ATOM 1366 N THR A 95 -6.026 14.965 -38.546 1.00 0.00 N ATOM 1367 CA THR A 95 -5.289 15.411 -39.768 1.00 0.00 C ATOM 1368 C THR A 95 -4.262 14.365 -40.206 1.00 0.00 C ATOM 1369 O THR A 95 -3.240 14.195 -39.580 1.00 0.00 O ATOM 1370 CB THR A 95 -4.552 16.712 -39.433 1.00 0.00 C ATOM 1371 OG1 THR A 95 -5.560 17.626 -39.048 1.00 0.00 O ATOM 1372 CG2 THR A 95 -3.936 17.325 -40.698 1.00 0.00 C ATOM 0 H THR A 95 -5.523 15.078 -37.666 1.00 0.00 H new ATOM 0 HA THR A 95 -6.003 15.555 -40.579 1.00 0.00 H new ATOM 0 HB THR A 95 -3.783 16.521 -38.685 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.151 18.486 -38.817 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.417 18.248 -40.439 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.228 16.621 -41.136 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.725 17.542 -41.418 1.00 0.00 H new ATOM 1380 N VAL A 96 -4.539 13.695 -41.291 1.00 0.00 N ATOM 1381 CA VAL A 96 -3.584 12.657 -41.753 1.00 0.00 C ATOM 1382 C VAL A 96 -2.536 13.261 -42.678 1.00 0.00 C ATOM 1383 O VAL A 96 -2.808 14.205 -43.394 1.00 0.00 O ATOM 1384 CB VAL A 96 -4.362 11.564 -42.516 1.00 0.00 C ATOM 1385 CG1 VAL A 96 -3.412 10.407 -42.835 1.00 0.00 C ATOM 1386 CG2 VAL A 96 -5.508 11.035 -41.638 1.00 0.00 C ATOM 0 H VAL A 96 -5.371 13.820 -41.867 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.080 12.231 -40.885 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.769 11.984 -43.436 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.953 9.630 -43.374 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.590 10.771 -43.451 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.015 9.995 -41.907 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.055 10.264 -42.180 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.098 10.613 -40.720 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.184 11.853 -41.390 1.00 0.00 H new ATOM 1396 N ASN A 97 -1.350 12.708 -42.640 1.00 0.00 N ATOM 1397 CA ASN A 97 -0.266 13.235 -43.508 1.00 0.00 C ATOM 1398 C ASN A 97 -0.123 12.393 -44.769 1.00 0.00 C ATOM 1399 O ASN A 97 0.190 12.990 -45.786 1.00 0.00 O ATOM 1400 CB ASN A 97 1.054 13.174 -42.724 1.00 0.00 C ATOM 1401 CG ASN A 97 1.428 14.582 -42.263 1.00 0.00 C ATOM 1402 OD1 ASN A 97 1.965 15.372 -43.016 1.00 0.00 O ATOM 1403 ND2 ASN A 97 1.162 14.940 -41.038 1.00 0.00 N ATOM 1404 OXT ASN A 97 -0.333 11.198 -44.649 1.00 0.00 O ATOM 0 H ASN A 97 -1.091 11.919 -42.048 1.00 0.00 H new ATOM 0 HA ASN A 97 -0.507 14.258 -43.796 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.950 12.512 -41.864 1.00 0.00 H new ATOM 0 HB3 ASN A 97 1.845 12.761 -43.351 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.404 15.877 -40.717 1.00 0.00 H new ATOM 0 HD22 ASN A 97 0.712 14.283 -40.401 1.00 0.00 H new TER 1411 ASN A 97 HETATM 1412 CU CU A 100 -20.894 10.838 -27.172 1.00 17.74 CU