USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 559 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -87:sc=0.000353 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot -21:sc= -4.04! USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 39:sc= 0.00447 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 89:sc= -1.6 USER MOD Single : A 61 SER OG : rot 72:sc= 0.534 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0225) USER MOD Single : A 71 HIS :FLIP no HE2:sc= -0.924 F(o=-2.2!,f=-0.92) USER MOD Single : A 73 SER OG : rot 180:sc= 0.705 USER MOD Single : A 78 GLN : amide:sc= -0.272 K(o=-0.27,f=-2.2!) USER MOD Single : A 88 GLN :FLIP amide:sc= -2.58 F(o=-3.9!,f=-2.6) USER MOD Single : A 91 HIS :FLIP no HD1:sc= -0.963 F(o=-1.7,f=-0.96) USER MOD Single : A 93 MET CE :methyl 164:sc= -0.0506 (180deg=-0.306) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 -4.344 -1.049 0.603 1.00 0.00 N ATOM 2 CA MET A 23 -3.604 0.094 1.110 1.00 0.00 C ATOM 3 C MET A 23 -2.626 0.625 0.060 1.00 0.00 C ATOM 4 O MET A 23 -1.446 0.280 0.075 1.00 0.00 O ATOM 5 CB MET A 23 -2.831 -0.314 2.367 1.00 0.00 C ATOM 6 CG MET A 23 -3.784 -0.580 3.534 1.00 0.00 C ATOM 7 SD MET A 23 -4.104 -2.330 3.674 1.00 0.00 S ATOM 8 CE MET A 23 -5.815 -2.292 4.182 1.00 0.00 C ATOM 0 HA MET A 23 -4.315 0.885 1.350 1.00 0.00 H new ATOM 0 HB2 MET A 23 -2.243 -1.208 2.162 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.129 0.474 2.638 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.350 -0.206 4.461 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.719 -0.042 3.380 1.00 0.00 H new ATOM 0 HE1 MET A 23 -6.177 -3.311 4.316 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.903 -1.749 5.123 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.410 -1.793 3.418 1.00 0.00 H new ATOM 18 N SER A 24 -3.155 1.454 -0.828 1.00 0.00 N ATOM 19 CA SER A 24 -2.344 2.035 -1.884 1.00 0.00 C ATOM 20 C SER A 24 -1.916 3.452 -1.496 1.00 0.00 C ATOM 21 O SER A 24 -2.744 4.262 -1.081 1.00 0.00 O ATOM 22 CB SER A 24 -3.102 2.055 -3.213 1.00 0.00 C ATOM 23 OG SER A 24 -4.251 2.896 -3.160 1.00 0.00 O ATOM 0 H SER A 24 -4.135 1.737 -0.838 1.00 0.00 H new ATOM 0 HA SER A 24 -1.456 1.416 -2.012 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.437 2.400 -4.005 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.407 1.041 -3.472 1.00 0.00 H new ATOM 0 HG SER A 24 -5.015 2.385 -2.819 1.00 0.00 H new ATOM 29 N ILE A 25 -0.625 3.708 -1.645 1.00 0.00 N ATOM 30 CA ILE A 25 -0.078 5.013 -1.315 1.00 0.00 C ATOM 31 C ILE A 25 -0.150 5.918 -2.547 1.00 0.00 C ATOM 32 O ILE A 25 0.086 5.468 -3.667 1.00 0.00 O ATOM 33 CB ILE A 25 1.332 4.872 -0.737 1.00 0.00 C ATOM 34 CG1 ILE A 25 2.389 4.976 -1.839 1.00 0.00 C ATOM 35 CG2 ILE A 25 1.468 3.578 0.068 1.00 0.00 C ATOM 36 CD1 ILE A 25 2.726 6.438 -2.139 1.00 0.00 C ATOM 0 H ILE A 25 0.058 3.034 -1.990 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.672 5.489 -0.534 1.00 0.00 H new ATOM 0 HB ILE A 25 1.503 5.699 -0.048 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.291 4.446 -1.534 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.025 4.490 -2.744 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.479 3.503 0.467 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.753 3.584 0.890 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.269 2.724 -0.580 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.479 6.484 -2.925 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.827 6.959 -2.467 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.113 6.915 -1.238 1.00 0.00 H new ATOM 48 N GLU A 26 -0.477 7.177 -2.298 1.00 0.00 N ATOM 49 CA GLU A 26 -0.583 8.149 -3.372 1.00 0.00 C ATOM 50 C GLU A 26 0.207 9.413 -3.026 1.00 0.00 C ATOM 51 O GLU A 26 0.557 9.632 -1.867 1.00 0.00 O ATOM 52 CB GLU A 26 -2.047 8.482 -3.668 1.00 0.00 C ATOM 53 CG GLU A 26 -2.377 8.243 -5.142 1.00 0.00 C ATOM 54 CD GLU A 26 -1.938 6.845 -5.582 1.00 0.00 C ATOM 55 OE1 GLU A 26 -1.135 6.777 -6.538 1.00 0.00 O ATOM 56 OE2 GLU A 26 -2.414 5.876 -4.953 1.00 0.00 O ATOM 0 H GLU A 26 -0.672 7.547 -1.368 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.154 7.712 -4.274 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.696 7.870 -3.042 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.246 9.523 -3.411 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.449 8.359 -5.302 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.880 8.994 -5.756 1.00 0.00 H new ATOM 63 N ILE A 27 0.466 10.210 -4.051 1.00 0.00 N ATOM 64 CA ILE A 27 1.208 11.446 -3.870 1.00 0.00 C ATOM 65 C ILE A 27 0.524 12.568 -4.653 1.00 0.00 C ATOM 66 O ILE A 27 -0.117 12.316 -5.673 1.00 0.00 O ATOM 67 CB ILE A 27 2.679 11.246 -4.240 1.00 0.00 C ATOM 68 CG1 ILE A 27 3.354 10.253 -3.291 1.00 0.00 C ATOM 69 CG2 ILE A 27 3.419 12.585 -4.290 1.00 0.00 C ATOM 70 CD1 ILE A 27 3.628 10.896 -1.930 1.00 0.00 C ATOM 0 H ILE A 27 0.175 10.024 -5.011 1.00 0.00 H new ATOM 0 HA ILE A 27 1.204 11.742 -2.821 1.00 0.00 H new ATOM 0 HB ILE A 27 2.724 10.816 -5.240 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.718 9.377 -3.162 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.290 9.905 -3.728 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.462 12.414 -4.555 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.955 13.229 -5.037 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.367 13.066 -3.313 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.108 10.169 -1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.284 11.757 -2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.687 11.221 -1.485 1.00 0.00 H new ATOM 82 N ASP A 28 0.682 13.782 -4.147 1.00 0.00 N ATOM 83 CA ASP A 28 0.087 14.943 -4.786 1.00 0.00 C ATOM 84 C ASP A 28 1.171 15.993 -5.038 1.00 0.00 C ATOM 85 O ASP A 28 1.426 16.843 -4.187 1.00 0.00 O ATOM 86 CB ASP A 28 -0.985 15.574 -3.895 1.00 0.00 C ATOM 87 CG ASP A 28 -2.218 16.094 -4.636 1.00 0.00 C ATOM 88 OD1 ASP A 28 -3.047 15.243 -5.026 1.00 0.00 O ATOM 89 OD2 ASP A 28 -2.305 17.331 -4.796 1.00 0.00 O ATOM 0 H ASP A 28 1.214 13.987 -3.301 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.368 14.616 -5.721 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.306 14.836 -3.160 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.537 16.400 -3.342 1.00 0.00 H new ATOM 94 N SER A 29 1.779 15.899 -6.211 1.00 0.00 N ATOM 95 CA SER A 29 2.830 16.830 -6.586 1.00 0.00 C ATOM 96 C SER A 29 2.226 18.197 -6.911 1.00 0.00 C ATOM 97 O SER A 29 2.831 19.230 -6.629 1.00 0.00 O ATOM 98 CB SER A 29 3.631 16.306 -7.780 1.00 0.00 C ATOM 99 OG SER A 29 5.001 16.692 -7.715 1.00 0.00 O ATOM 0 H SER A 29 1.564 15.192 -6.915 1.00 0.00 H new ATOM 0 HA SER A 29 3.513 16.932 -5.743 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.562 15.219 -7.814 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.192 16.682 -8.704 1.00 0.00 H new ATOM 0 HG SER A 29 5.478 16.337 -8.494 1.00 0.00 H new ATOM 105 N GLU A 30 1.040 18.159 -7.501 1.00 0.00 N ATOM 106 CA GLU A 30 0.347 19.383 -7.868 1.00 0.00 C ATOM 107 C GLU A 30 0.317 20.351 -6.684 1.00 0.00 C ATOM 108 O GLU A 30 0.685 21.517 -6.821 1.00 0.00 O ATOM 109 CB GLU A 30 -1.068 19.083 -8.367 1.00 0.00 C ATOM 110 CG GLU A 30 -1.037 18.475 -9.770 1.00 0.00 C ATOM 111 CD GLU A 30 -0.802 16.964 -9.708 1.00 0.00 C ATOM 112 OE1 GLU A 30 0.209 16.523 -10.295 1.00 0.00 O ATOM 113 OE2 GLU A 30 -1.639 16.286 -9.075 1.00 0.00 O ATOM 0 H GLU A 30 0.541 17.300 -7.734 1.00 0.00 H new ATOM 0 HA GLU A 30 0.892 19.856 -8.685 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.562 18.396 -7.680 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.656 20.001 -8.377 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.979 18.680 -10.280 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.248 18.946 -10.357 1.00 0.00 H new ATOM 120 N GLN A 31 -0.124 19.833 -5.547 1.00 0.00 N ATOM 121 CA GLN A 31 -0.206 20.637 -4.340 1.00 0.00 C ATOM 122 C GLN A 31 1.035 20.421 -3.472 1.00 0.00 C ATOM 123 O GLN A 31 1.375 21.267 -2.647 1.00 0.00 O ATOM 124 CB GLN A 31 -1.484 20.324 -3.558 1.00 0.00 C ATOM 125 CG GLN A 31 -2.660 21.154 -4.074 1.00 0.00 C ATOM 126 CD GLN A 31 -3.387 21.850 -2.922 1.00 0.00 C ATOM 127 OE1 GLN A 31 -3.025 22.932 -2.488 1.00 0.00 O ATOM 128 NE2 GLN A 31 -4.431 21.172 -2.452 1.00 0.00 N ATOM 0 H GLN A 31 -0.428 18.866 -5.436 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.244 21.687 -4.629 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.717 19.263 -3.645 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -1.326 20.529 -2.499 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -2.300 21.898 -4.784 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.356 20.510 -4.612 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.680 20.271 -2.861 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.982 21.553 -1.683 1.00 0.00 H new ATOM 137 N GLY A 32 1.677 19.282 -3.687 1.00 0.00 N ATOM 138 CA GLY A 32 2.873 18.943 -2.934 1.00 0.00 C ATOM 139 C GLY A 32 2.515 18.242 -1.623 1.00 0.00 C ATOM 140 O GLY A 32 3.348 18.136 -0.724 1.00 0.00 O ATOM 0 H GLY A 32 1.392 18.582 -4.372 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.513 18.296 -3.534 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.443 19.848 -2.723 1.00 0.00 H new ATOM 144 N VAL A 33 1.274 17.780 -1.555 1.00 0.00 N ATOM 145 CA VAL A 33 0.796 17.092 -0.368 1.00 0.00 C ATOM 146 C VAL A 33 0.838 15.582 -0.608 1.00 0.00 C ATOM 147 O VAL A 33 0.954 15.134 -1.748 1.00 0.00 O ATOM 148 CB VAL A 33 -0.598 17.600 0.005 1.00 0.00 C ATOM 149 CG1 VAL A 33 -1.362 16.554 0.820 1.00 0.00 C ATOM 150 CG2 VAL A 33 -0.514 18.928 0.759 1.00 0.00 C ATOM 0 H VAL A 33 0.586 17.869 -2.303 1.00 0.00 H new ATOM 0 HA VAL A 33 1.443 17.304 0.483 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.150 17.774 -0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.350 16.940 1.072 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.468 15.642 0.233 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.813 16.335 1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.519 19.267 1.012 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.064 18.792 1.673 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.027 19.673 0.130 1.00 0.00 H new ATOM 160 N CYS A 34 0.741 14.838 0.484 1.00 0.00 N ATOM 161 CA CYS A 34 0.767 13.387 0.407 1.00 0.00 C ATOM 162 C CYS A 34 -0.657 12.870 0.620 1.00 0.00 C ATOM 163 O CYS A 34 -1.414 13.431 1.411 1.00 0.00 O ATOM 164 CB CYS A 34 1.750 12.784 1.412 1.00 0.00 C ATOM 165 SG CYS A 34 1.466 13.501 3.072 1.00 0.00 S ATOM 0 H CYS A 34 0.644 15.213 1.428 1.00 0.00 H new ATOM 0 HA CYS A 34 1.121 13.079 -0.577 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.627 11.702 1.448 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.774 12.978 1.093 1.00 0.00 H new ATOM 0 HG CYS A 34 0.842 14.635 2.954 1.00 0.00 H new ATOM 171 N SER A 35 -0.980 11.805 -0.099 1.00 0.00 N ATOM 172 CA SER A 35 -2.300 11.206 0.001 1.00 0.00 C ATOM 173 C SER A 35 -2.193 9.684 -0.112 1.00 0.00 C ATOM 174 O SER A 35 -1.846 9.160 -1.170 1.00 0.00 O ATOM 175 CB SER A 35 -3.237 11.754 -1.076 1.00 0.00 C ATOM 176 OG SER A 35 -4.593 11.379 -0.846 1.00 0.00 O ATOM 0 H SER A 35 -0.350 11.341 -0.754 1.00 0.00 H new ATOM 0 HA SER A 35 -2.720 11.463 0.973 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.161 12.841 -1.103 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.920 11.388 -2.053 1.00 0.00 H new ATOM 0 HG SER A 35 -5.160 11.750 -1.554 1.00 0.00 H new ATOM 182 N VAL A 36 -2.498 9.017 0.991 1.00 0.00 N ATOM 183 CA VAL A 36 -2.441 7.565 1.028 1.00 0.00 C ATOM 184 C VAL A 36 -3.848 7.010 1.260 1.00 0.00 C ATOM 185 O VAL A 36 -4.667 7.641 1.926 1.00 0.00 O ATOM 186 CB VAL A 36 -1.436 7.108 2.088 1.00 0.00 C ATOM 187 CG1 VAL A 36 -1.881 7.538 3.487 1.00 0.00 C ATOM 188 CG2 VAL A 36 -1.220 5.595 2.021 1.00 0.00 C ATOM 0 H VAL A 36 -2.785 9.455 1.866 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.089 7.172 0.074 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.482 7.592 1.877 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.149 7.201 4.221 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.960 8.624 3.526 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.851 7.096 3.712 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.502 5.296 2.784 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.167 5.084 2.194 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.837 5.325 1.037 1.00 0.00 H new ATOM 198 N GLU A 37 -4.085 5.834 0.697 1.00 0.00 N ATOM 199 CA GLU A 37 -5.378 5.186 0.834 1.00 0.00 C ATOM 200 C GLU A 37 -5.366 4.222 2.022 1.00 0.00 C ATOM 201 O GLU A 37 -4.386 3.511 2.239 1.00 0.00 O ATOM 202 CB GLU A 37 -5.768 4.462 -0.457 1.00 0.00 C ATOM 203 CG GLU A 37 -7.130 4.938 -0.963 1.00 0.00 C ATOM 204 CD GLU A 37 -7.867 3.815 -1.695 1.00 0.00 C ATOM 205 OE1 GLU A 37 -9.036 3.569 -1.328 1.00 0.00 O ATOM 206 OE2 GLU A 37 -7.244 3.227 -2.605 1.00 0.00 O ATOM 0 H GLU A 37 -3.403 5.313 0.145 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.129 5.953 1.022 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.010 4.639 -1.220 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.797 3.387 -0.280 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.732 5.286 -0.124 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.996 5.787 -1.633 1.00 0.00 H new ATOM 213 N ILE A 38 -6.467 4.229 2.760 1.00 0.00 N ATOM 214 CA ILE A 38 -6.595 3.364 3.920 1.00 0.00 C ATOM 215 C ILE A 38 -8.065 3.296 4.340 1.00 0.00 C ATOM 216 O ILE A 38 -8.890 4.066 3.850 1.00 0.00 O ATOM 217 CB ILE A 38 -5.657 3.824 5.038 1.00 0.00 C ATOM 218 CG1 ILE A 38 -4.997 5.159 4.685 1.00 0.00 C ATOM 219 CG2 ILE A 38 -4.624 2.744 5.366 1.00 0.00 C ATOM 220 CD1 ILE A 38 -4.417 5.830 5.932 1.00 0.00 C ATOM 0 H ILE A 38 -7.278 4.820 2.577 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.286 2.348 3.674 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.251 3.986 5.937 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.205 4.995 3.954 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.729 5.819 4.220 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.970 3.096 6.164 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.136 1.838 5.690 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.030 2.527 4.478 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.954 6.777 5.654 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.215 6.014 6.651 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.668 5.178 6.381 1.00 0.00 H new ATOM 232 N GLU A 39 -8.347 2.368 5.243 1.00 0.00 N ATOM 233 CA GLU A 39 -9.702 2.190 5.734 1.00 0.00 C ATOM 234 C GLU A 39 -10.247 3.511 6.280 1.00 0.00 C ATOM 235 O GLU A 39 -10.119 3.795 7.470 1.00 0.00 O ATOM 236 CB GLU A 39 -9.760 1.091 6.797 1.00 0.00 C ATOM 237 CG GLU A 39 -9.009 1.513 8.062 1.00 0.00 C ATOM 238 CD GLU A 39 -8.180 0.354 8.619 1.00 0.00 C ATOM 239 OE1 GLU A 39 -7.079 0.129 8.071 1.00 0.00 O ATOM 240 OE2 GLU A 39 -8.665 -0.281 9.580 1.00 0.00 O ATOM 0 H GLU A 39 -7.660 1.732 5.647 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.331 1.877 4.901 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.799 0.872 7.043 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.326 0.173 6.401 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.356 2.357 7.838 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.720 1.852 8.816 1.00 0.00 H new ATOM 247 N GLY A 40 -10.844 4.284 5.385 1.00 0.00 N ATOM 248 CA GLY A 40 -11.409 5.568 5.762 1.00 0.00 C ATOM 249 C GLY A 40 -10.393 6.695 5.559 1.00 0.00 C ATOM 250 O GLY A 40 -10.116 7.459 6.482 1.00 0.00 O ATOM 0 H GLY A 40 -10.949 4.045 4.399 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.301 5.766 5.167 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.722 5.539 6.806 1.00 0.00 H new ATOM 254 N SER A 41 -9.867 6.762 4.345 1.00 0.00 N ATOM 255 CA SER A 41 -8.889 7.782 4.008 1.00 0.00 C ATOM 256 C SER A 41 -9.275 9.112 4.658 1.00 0.00 C ATOM 257 O SER A 41 -10.403 9.578 4.504 1.00 0.00 O ATOM 258 CB SER A 41 -8.766 7.948 2.492 1.00 0.00 C ATOM 259 OG SER A 41 -10.039 7.994 1.855 1.00 0.00 O ATOM 0 H SER A 41 -10.100 6.126 3.582 1.00 0.00 H new ATOM 0 HA SER A 41 -7.919 7.465 4.391 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.217 8.863 2.271 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.186 7.121 2.083 1.00 0.00 H new ATOM 0 HG SER A 41 -10.662 8.512 2.406 1.00 0.00 H new ATOM 265 N ARG A 42 -8.318 9.686 5.371 1.00 0.00 N ATOM 266 CA ARG A 42 -8.543 10.954 6.045 1.00 0.00 C ATOM 267 C ARG A 42 -7.222 11.518 6.570 1.00 0.00 C ATOM 268 O ARG A 42 -7.137 11.940 7.722 1.00 0.00 O ATOM 269 CB ARG A 42 -9.520 10.791 7.211 1.00 0.00 C ATOM 270 CG ARG A 42 -10.505 11.960 7.269 1.00 0.00 C ATOM 271 CD ARG A 42 -11.851 11.573 6.653 1.00 0.00 C ATOM 272 NE ARG A 42 -12.619 12.791 6.309 1.00 0.00 N ATOM 273 CZ ARG A 42 -13.923 12.794 5.999 1.00 0.00 C ATOM 274 NH1 ARG A 42 -14.612 11.645 5.987 1.00 0.00 N ATOM 275 NH2 ARG A 42 -14.537 13.947 5.700 1.00 0.00 N ATOM 0 H ARG A 42 -7.384 9.296 5.497 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.973 11.644 5.319 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -10.067 9.855 7.103 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.966 10.730 8.148 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.650 12.267 8.305 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.090 12.816 6.737 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.691 10.969 5.760 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.419 10.961 7.354 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.125 13.683 6.308 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.144 10.767 6.214 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.604 11.648 5.751 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.012 14.821 5.708 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -15.529 13.950 5.464 1.00 0.00 H new ATOM 289 N HIS A 43 -6.224 11.509 5.699 1.00 0.00 N ATOM 290 CA HIS A 43 -4.911 12.016 6.060 1.00 0.00 C ATOM 291 C HIS A 43 -4.560 13.213 5.174 1.00 0.00 C ATOM 292 O HIS A 43 -5.336 13.588 4.296 1.00 0.00 O ATOM 293 CB HIS A 43 -3.862 10.903 5.995 1.00 0.00 C ATOM 294 CG HIS A 43 -3.508 10.314 7.339 1.00 0.00 C ATOM 295 ND1 HIS A 43 -2.927 11.055 8.353 1.00 0.00 N ATOM 296 CD2 HIS A 43 -3.660 9.048 7.825 1.00 0.00 C ATOM 297 CE1 HIS A 43 -2.741 10.261 9.397 1.00 0.00 C ATOM 298 NE2 HIS A 43 -3.195 9.018 9.068 1.00 0.00 N ATOM 0 H HIS A 43 -6.298 11.159 4.744 1.00 0.00 H new ATOM 0 HA HIS A 43 -4.924 12.365 7.093 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.231 10.108 5.347 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -2.957 11.297 5.533 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.086 8.213 7.289 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -2.306 10.548 10.343 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -3.180 8.200 9.677 1.00 0.00 H new ATOM 306 N ARG A 44 -3.391 13.779 5.434 1.00 0.00 N ATOM 307 CA ARG A 44 -2.929 14.926 4.671 1.00 0.00 C ATOM 308 C ARG A 44 -1.694 15.540 5.333 1.00 0.00 C ATOM 309 O ARG A 44 -1.700 15.817 6.531 1.00 0.00 O ATOM 310 CB ARG A 44 -4.022 15.990 4.559 1.00 0.00 C ATOM 311 CG ARG A 44 -4.554 16.081 3.127 1.00 0.00 C ATOM 312 CD ARG A 44 -6.072 16.271 3.117 1.00 0.00 C ATOM 313 NE ARG A 44 -6.555 16.413 1.726 1.00 0.00 N ATOM 314 CZ ARG A 44 -7.809 16.753 1.397 1.00 0.00 C ATOM 315 NH1 ARG A 44 -8.714 16.986 2.358 1.00 0.00 N ATOM 316 NH2 ARG A 44 -8.159 16.859 0.108 1.00 0.00 N ATOM 0 H ARG A 44 -2.750 13.465 6.162 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.674 14.578 3.670 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.839 15.750 5.240 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.625 16.958 4.866 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.076 16.913 2.610 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.294 15.175 2.580 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.557 15.419 3.594 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.340 17.155 3.696 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.892 16.241 0.970 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.448 16.905 3.339 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.668 17.245 2.108 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.471 16.681 -0.624 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.114 17.118 -0.142 1.00 0.00 H new ATOM 330 N ALA A 45 -0.663 15.736 4.523 1.00 0.00 N ATOM 331 CA ALA A 45 0.576 16.312 5.015 1.00 0.00 C ATOM 332 C ALA A 45 1.532 16.535 3.841 1.00 0.00 C ATOM 333 O ALA A 45 1.186 16.257 2.694 1.00 0.00 O ATOM 334 CB ALA A 45 1.174 15.400 6.088 1.00 0.00 C ATOM 0 H ALA A 45 -0.661 15.506 3.529 1.00 0.00 H new ATOM 0 HA ALA A 45 0.390 17.281 5.478 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.104 15.833 6.457 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.469 15.298 6.913 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.376 14.418 5.660 1.00 0.00 H new ATOM 340 N PRO A 46 2.746 17.047 4.177 1.00 0.00 N ATOM 341 CA PRO A 46 3.754 17.311 3.164 1.00 0.00 C ATOM 342 C PRO A 46 4.398 16.010 2.680 1.00 0.00 C ATOM 343 O PRO A 46 4.591 15.080 3.463 1.00 0.00 O ATOM 344 CB PRO A 46 4.744 18.252 3.829 1.00 0.00 C ATOM 345 CG PRO A 46 4.511 18.114 5.325 1.00 0.00 C ATOM 346 CD PRO A 46 3.190 17.389 5.525 1.00 0.00 C ATOM 0 HA PRO A 46 3.338 17.764 2.264 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.769 17.989 3.568 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.586 19.280 3.502 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.326 17.558 5.789 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.484 19.095 5.799 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.317 16.497 6.138 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.463 18.023 6.032 1.00 0.00 H new ATOM 354 N VAL A 47 4.713 15.985 1.394 1.00 0.00 N ATOM 355 CA VAL A 47 5.331 14.814 0.797 1.00 0.00 C ATOM 356 C VAL A 47 6.824 14.803 1.133 1.00 0.00 C ATOM 357 O VAL A 47 7.437 13.740 1.216 1.00 0.00 O ATOM 358 CB VAL A 47 5.057 14.787 -0.708 1.00 0.00 C ATOM 359 CG1 VAL A 47 6.132 13.986 -1.447 1.00 0.00 C ATOM 360 CG2 VAL A 47 3.661 14.233 -1.002 1.00 0.00 C ATOM 0 H VAL A 47 4.552 16.758 0.748 1.00 0.00 H new ATOM 0 HA VAL A 47 4.898 13.902 1.209 1.00 0.00 H new ATOM 0 HB VAL A 47 5.093 15.813 -1.073 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.913 13.983 -2.515 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.107 14.443 -1.278 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.142 12.961 -1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.492 14.225 -2.079 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.584 13.217 -0.615 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.911 14.862 -0.522 1.00 0.00 H new ATOM 370 N ASP A 48 7.364 15.998 1.318 1.00 0.00 N ATOM 371 CA ASP A 48 8.773 16.140 1.644 1.00 0.00 C ATOM 372 C ASP A 48 8.996 15.751 3.107 1.00 0.00 C ATOM 373 O ASP A 48 10.128 15.748 3.587 1.00 0.00 O ATOM 374 CB ASP A 48 9.238 17.586 1.463 1.00 0.00 C ATOM 375 CG ASP A 48 8.549 18.605 2.374 1.00 0.00 C ATOM 376 OD1 ASP A 48 8.609 18.398 3.605 1.00 0.00 O ATOM 377 OD2 ASP A 48 7.978 19.568 1.818 1.00 0.00 O ATOM 0 H ASP A 48 6.852 16.877 1.248 1.00 0.00 H new ATOM 0 HA ASP A 48 9.340 15.493 0.975 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.313 17.631 1.640 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.073 17.878 0.426 1.00 0.00 H new ATOM 382 N SER A 49 7.897 15.432 3.775 1.00 0.00 N ATOM 383 CA SER A 49 7.958 15.043 5.173 1.00 0.00 C ATOM 384 C SER A 49 7.442 13.612 5.341 1.00 0.00 C ATOM 385 O SER A 49 6.734 13.312 6.301 1.00 0.00 O ATOM 386 CB SER A 49 7.151 16.004 6.049 1.00 0.00 C ATOM 387 OG SER A 49 7.591 15.990 7.404 1.00 0.00 O ATOM 0 H SER A 49 6.959 15.435 3.374 1.00 0.00 H new ATOM 0 HA SER A 49 8.998 15.088 5.495 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.236 17.015 5.651 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.096 15.733 6.008 1.00 0.00 H new ATOM 0 HG SER A 49 7.052 16.617 7.929 1.00 0.00 H new ATOM 393 N LEU A 50 7.818 12.766 4.393 1.00 0.00 N ATOM 394 CA LEU A 50 7.402 11.375 4.423 1.00 0.00 C ATOM 395 C LEU A 50 8.611 10.493 4.745 1.00 0.00 C ATOM 396 O LEU A 50 9.752 10.889 4.512 1.00 0.00 O ATOM 397 CB LEU A 50 6.696 10.998 3.120 1.00 0.00 C ATOM 398 CG LEU A 50 5.346 11.673 2.870 1.00 0.00 C ATOM 399 CD1 LEU A 50 4.662 11.089 1.631 1.00 0.00 C ATOM 400 CD2 LEU A 50 4.453 11.590 4.109 1.00 0.00 C ATOM 0 H LEU A 50 8.407 13.018 3.599 1.00 0.00 H new ATOM 0 HA LEU A 50 6.669 11.214 5.213 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.359 11.237 2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.548 9.918 3.109 1.00 0.00 H new ATOM 0 HG LEU A 50 5.525 12.730 2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.704 11.586 1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.297 11.243 0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.497 10.021 1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.500 12.077 3.904 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.279 10.544 4.362 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.943 12.089 4.945 1.00 0.00 H new ATOM 412 N ARG A 51 8.319 9.314 5.275 1.00 0.00 N ATOM 413 CA ARG A 51 9.368 8.373 5.631 1.00 0.00 C ATOM 414 C ARG A 51 8.933 6.944 5.300 1.00 0.00 C ATOM 415 O ARG A 51 7.745 6.628 5.338 1.00 0.00 O ATOM 416 CB ARG A 51 9.707 8.464 7.120 1.00 0.00 C ATOM 417 CG ARG A 51 10.341 9.815 7.456 1.00 0.00 C ATOM 418 CD ARG A 51 11.770 9.636 7.973 1.00 0.00 C ATOM 419 NE ARG A 51 12.186 10.835 8.736 1.00 0.00 N ATOM 420 CZ ARG A 51 13.453 11.105 9.079 1.00 0.00 C ATOM 421 NH1 ARG A 51 14.435 10.263 8.730 1.00 0.00 N ATOM 422 NH2 ARG A 51 13.738 12.216 9.771 1.00 0.00 N ATOM 0 H ARG A 51 7.371 8.989 5.466 1.00 0.00 H new ATOM 0 HA ARG A 51 10.255 8.630 5.052 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.802 8.326 7.712 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.391 7.660 7.391 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.348 10.448 6.569 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.740 10.326 8.208 1.00 0.00 H new ATOM 0 HD2 ARG A 51 11.828 8.752 8.608 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.450 9.473 7.137 1.00 0.00 H new ATOM 0 HE ARG A 51 11.463 11.497 9.018 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.218 9.417 8.203 1.00 0.00 H new ATOM 0 HH12 ARG A 51 15.399 10.468 8.991 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.990 12.857 10.037 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.703 12.421 10.032 1.00 0.00 H new ATOM 436 N ILE A 52 9.919 6.119 4.981 1.00 0.00 N ATOM 437 CA ILE A 52 9.654 4.731 4.644 1.00 0.00 C ATOM 438 C ILE A 52 10.244 3.825 5.726 1.00 0.00 C ATOM 439 O ILE A 52 11.298 4.126 6.286 1.00 0.00 O ATOM 440 CB ILE A 52 10.160 4.415 3.235 1.00 0.00 C ATOM 441 CG1 ILE A 52 9.348 5.169 2.179 1.00 0.00 C ATOM 442 CG2 ILE A 52 10.171 2.907 2.981 1.00 0.00 C ATOM 443 CD1 ILE A 52 9.406 4.452 0.829 1.00 0.00 C ATOM 0 H ILE A 52 10.903 6.385 4.949 1.00 0.00 H new ATOM 0 HA ILE A 52 8.580 4.544 4.622 1.00 0.00 H new ATOM 0 HB ILE A 52 11.191 4.761 3.157 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.311 5.255 2.505 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.734 6.183 2.073 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.535 2.711 1.972 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.826 2.421 3.704 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.160 2.513 3.085 1.00 0.00 H new ATOM 0 HD11 ILE A 52 8.821 5.008 0.096 1.00 0.00 H new ATOM 0 HD12 ILE A 52 10.442 4.389 0.495 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.997 3.447 0.933 1.00 0.00 H new ATOM 455 N GLY A 53 9.540 2.734 5.989 1.00 0.00 N ATOM 456 CA GLY A 53 9.981 1.782 6.995 1.00 0.00 C ATOM 457 C GLY A 53 10.231 0.406 6.375 1.00 0.00 C ATOM 458 O GLY A 53 9.958 0.194 5.195 1.00 0.00 O ATOM 0 H GLY A 53 8.667 2.488 5.523 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.894 2.143 7.467 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.228 1.700 7.779 1.00 0.00 H new ATOM 462 N THR A 54 10.747 -0.494 7.199 1.00 0.00 N ATOM 463 CA THR A 54 11.036 -1.844 6.747 1.00 0.00 C ATOM 464 C THR A 54 10.337 -2.868 7.643 1.00 0.00 C ATOM 465 O THR A 54 10.381 -2.760 8.868 1.00 0.00 O ATOM 466 CB THR A 54 12.556 -2.013 6.704 1.00 0.00 C ATOM 467 OG1 THR A 54 13.004 -0.923 5.903 1.00 0.00 O ATOM 468 CG2 THR A 54 12.986 -3.253 5.919 1.00 0.00 C ATOM 0 H THR A 54 10.972 -0.315 8.177 1.00 0.00 H new ATOM 0 HA THR A 54 10.646 -2.017 5.744 1.00 0.00 H new ATOM 0 HB THR A 54 12.942 -2.076 7.721 1.00 0.00 H new ATOM 0 HG1 THR A 54 13.170 -0.144 6.474 1.00 0.00 H new ATOM 0 HG21 THR A 54 14.074 -3.325 5.920 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.563 -4.143 6.385 1.00 0.00 H new ATOM 0 HG23 THR A 54 12.628 -3.176 4.892 1.00 0.00 H new ATOM 476 N ASP A 55 9.706 -3.838 6.998 1.00 0.00 N ATOM 477 CA ASP A 55 8.998 -4.881 7.721 1.00 0.00 C ATOM 478 C ASP A 55 9.784 -6.189 7.620 1.00 0.00 C ATOM 479 O ASP A 55 9.718 -6.882 6.606 1.00 0.00 O ATOM 480 CB ASP A 55 7.609 -5.117 7.125 1.00 0.00 C ATOM 481 CG ASP A 55 6.565 -5.648 8.110 1.00 0.00 C ATOM 482 OD1 ASP A 55 6.735 -5.378 9.318 1.00 0.00 O ATOM 483 OD2 ASP A 55 5.620 -6.312 7.632 1.00 0.00 O ATOM 0 H ASP A 55 9.670 -3.924 5.982 1.00 0.00 H new ATOM 0 HA ASP A 55 8.897 -4.563 8.759 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.246 -4.179 6.705 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.699 -5.823 6.299 1.00 0.00 H new ATOM 488 N ALA A 56 10.511 -6.489 8.687 1.00 0.00 N ATOM 489 CA ALA A 56 11.309 -7.702 8.732 1.00 0.00 C ATOM 490 C ALA A 56 10.383 -8.919 8.678 1.00 0.00 C ATOM 491 O ALA A 56 10.840 -10.042 8.466 1.00 0.00 O ATOM 492 CB ALA A 56 12.185 -7.691 9.987 1.00 0.00 C ATOM 0 H ALA A 56 10.564 -5.912 9.527 1.00 0.00 H new ATOM 0 HA ALA A 56 11.974 -7.756 7.870 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.784 -8.601 10.021 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.845 -6.823 9.963 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.551 -7.640 10.873 1.00 0.00 H new ATOM 498 N GLU A 57 9.100 -8.655 8.872 1.00 0.00 N ATOM 499 CA GLU A 57 8.106 -9.715 8.848 1.00 0.00 C ATOM 500 C GLU A 57 8.128 -10.432 7.497 1.00 0.00 C ATOM 501 O GLU A 57 8.029 -11.657 7.439 1.00 0.00 O ATOM 502 CB GLU A 57 6.711 -9.165 9.155 1.00 0.00 C ATOM 503 CG GLU A 57 6.420 -9.215 10.656 1.00 0.00 C ATOM 504 CD GLU A 57 5.985 -10.618 11.084 1.00 0.00 C ATOM 505 OE1 GLU A 57 5.243 -11.246 10.299 1.00 0.00 O ATOM 506 OE2 GLU A 57 6.404 -11.030 12.188 1.00 0.00 O ATOM 0 H GLU A 57 8.725 -7.723 9.047 1.00 0.00 H new ATOM 0 HA GLU A 57 8.355 -10.438 9.625 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.635 -8.137 8.800 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.961 -9.744 8.616 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.310 -8.921 11.213 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.638 -8.497 10.903 1.00 0.00 H new ATOM 513 N ALA A 58 8.258 -9.639 6.444 1.00 0.00 N ATOM 514 CA ALA A 58 8.294 -10.183 5.097 1.00 0.00 C ATOM 515 C ALA A 58 9.447 -9.541 4.323 1.00 0.00 C ATOM 516 O ALA A 58 9.522 -9.661 3.101 1.00 0.00 O ATOM 517 CB ALA A 58 6.941 -9.960 4.420 1.00 0.00 C ATOM 0 H ALA A 58 8.340 -8.624 6.496 1.00 0.00 H new ATOM 0 HA ALA A 58 8.472 -11.258 5.122 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.968 -10.368 3.410 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.161 -10.461 4.993 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.729 -8.892 4.374 1.00 0.00 H new ATOM 523 N ARG A 59 10.317 -8.872 5.066 1.00 0.00 N ATOM 524 CA ARG A 59 11.462 -8.211 4.465 1.00 0.00 C ATOM 525 C ARG A 59 11.012 -7.321 3.304 1.00 0.00 C ATOM 526 O ARG A 59 11.559 -7.404 2.206 1.00 0.00 O ATOM 527 CB ARG A 59 12.481 -9.231 3.951 1.00 0.00 C ATOM 528 CG ARG A 59 13.067 -10.049 5.104 1.00 0.00 C ATOM 529 CD ARG A 59 14.051 -9.212 5.924 1.00 0.00 C ATOM 530 NE ARG A 59 15.157 -10.066 6.412 1.00 0.00 N ATOM 531 CZ ARG A 59 16.042 -9.689 7.345 1.00 0.00 C ATOM 532 NH1 ARG A 59 15.956 -8.471 7.897 1.00 0.00 N ATOM 533 NH2 ARG A 59 17.013 -10.530 7.726 1.00 0.00 N ATOM 0 H ARG A 59 10.251 -8.774 6.079 1.00 0.00 H new ATOM 0 HA ARG A 59 11.933 -7.600 5.235 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.003 -9.898 3.233 1.00 0.00 H new ATOM 0 HB3 ARG A 59 13.282 -8.715 3.422 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.263 -10.406 5.747 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.574 -10.930 4.709 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.449 -8.401 5.313 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.536 -8.753 6.768 1.00 0.00 H new ATOM 0 HE ARG A 59 15.252 -11.000 6.013 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.217 -7.831 7.607 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.630 -8.184 8.607 1.00 0.00 H new ATOM 0 HH21 ARG A 59 17.079 -11.457 7.306 1.00 0.00 H new ATOM 0 HH22 ARG A 59 17.687 -10.243 8.436 1.00 0.00 H new ATOM 547 N LEU A 60 10.020 -6.490 3.588 1.00 0.00 N ATOM 548 CA LEU A 60 9.490 -5.586 2.581 1.00 0.00 C ATOM 549 C LEU A 60 9.410 -4.173 3.163 1.00 0.00 C ATOM 550 O LEU A 60 9.466 -3.994 4.378 1.00 0.00 O ATOM 551 CB LEU A 60 8.156 -6.106 2.043 1.00 0.00 C ATOM 552 CG LEU A 60 6.899 -5.540 2.707 1.00 0.00 C ATOM 553 CD1 LEU A 60 5.678 -5.704 1.799 1.00 0.00 C ATOM 554 CD2 LEU A 60 6.677 -6.166 4.085 1.00 0.00 C ATOM 0 H LEU A 60 9.569 -6.424 4.501 1.00 0.00 H new ATOM 0 HA LEU A 60 10.158 -5.540 1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.108 -5.890 0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.142 -7.191 2.149 1.00 0.00 H new ATOM 0 HG LEU A 60 7.046 -4.471 2.860 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.798 -5.294 2.295 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.847 -5.173 0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.518 -6.762 1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.777 -5.746 4.535 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.561 -7.245 3.980 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.535 -5.954 4.723 1.00 0.00 H new ATOM 566 N SER A 61 9.281 -3.206 2.267 1.00 0.00 N ATOM 567 CA SER A 61 9.193 -1.814 2.676 1.00 0.00 C ATOM 568 C SER A 61 7.771 -1.495 3.142 1.00 0.00 C ATOM 569 O SER A 61 6.821 -2.176 2.760 1.00 0.00 O ATOM 570 CB SER A 61 9.601 -0.878 1.537 1.00 0.00 C ATOM 571 OG SER A 61 9.857 -1.588 0.328 1.00 0.00 O ATOM 0 H SER A 61 9.235 -3.358 1.259 1.00 0.00 H new ATOM 0 HA SER A 61 9.884 -1.656 3.504 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.810 -0.147 1.368 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.493 -0.322 1.827 1.00 0.00 H new ATOM 0 HG SER A 61 9.011 -1.911 -0.047 1.00 0.00 H new ATOM 577 N VAL A 62 7.670 -0.459 3.962 1.00 0.00 N ATOM 578 CA VAL A 62 6.380 -0.041 4.485 1.00 0.00 C ATOM 579 C VAL A 62 6.239 1.475 4.331 1.00 0.00 C ATOM 580 O VAL A 62 7.150 2.140 3.839 1.00 0.00 O ATOM 581 CB VAL A 62 6.224 -0.512 5.932 1.00 0.00 C ATOM 582 CG1 VAL A 62 5.675 -1.939 5.988 1.00 0.00 C ATOM 583 CG2 VAL A 62 7.550 -0.404 6.689 1.00 0.00 C ATOM 0 H VAL A 62 8.460 0.103 4.277 1.00 0.00 H new ATOM 0 HA VAL A 62 5.571 -0.502 3.919 1.00 0.00 H new ATOM 0 HB VAL A 62 5.504 0.143 6.422 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.574 -2.249 7.028 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.700 -1.973 5.503 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.360 -2.613 5.473 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.412 -0.745 7.715 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.301 -1.024 6.199 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.883 0.634 6.693 1.00 0.00 H new ATOM 593 N LEU A 63 5.091 1.977 4.760 1.00 0.00 N ATOM 594 CA LEU A 63 4.819 3.402 4.676 1.00 0.00 C ATOM 595 C LEU A 63 4.769 3.991 6.087 1.00 0.00 C ATOM 596 O LEU A 63 4.010 3.523 6.933 1.00 0.00 O ATOM 597 CB LEU A 63 3.552 3.658 3.858 1.00 0.00 C ATOM 598 CG LEU A 63 3.148 5.124 3.689 1.00 0.00 C ATOM 599 CD1 LEU A 63 1.936 5.256 2.764 1.00 0.00 C ATOM 600 CD2 LEU A 63 2.906 5.786 5.047 1.00 0.00 C ATOM 0 H LEU A 63 4.338 1.422 5.167 1.00 0.00 H new ATOM 0 HA LEU A 63 5.622 3.913 4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.688 3.223 2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.725 3.126 4.329 1.00 0.00 H new ATOM 0 HG LEU A 63 3.975 5.653 3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.670 6.308 2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.180 4.846 1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.094 4.708 3.187 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.620 6.827 4.898 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.106 5.261 5.570 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.819 5.742 5.641 1.00 0.00 H new ATOM 612 N TYR A 64 5.590 5.010 6.297 1.00 0.00 N ATOM 613 CA TYR A 64 5.649 5.669 7.591 1.00 0.00 C ATOM 614 C TYR A 64 5.265 7.145 7.473 1.00 0.00 C ATOM 615 O TYR A 64 6.003 7.938 6.891 1.00 0.00 O ATOM 616 CB TYR A 64 7.106 5.568 8.049 1.00 0.00 C ATOM 617 CG TYR A 64 7.293 4.812 9.366 1.00 0.00 C ATOM 618 CD1 TYR A 64 7.095 5.461 10.568 1.00 0.00 C ATOM 619 CD2 TYR A 64 7.661 3.482 9.352 1.00 0.00 C ATOM 620 CE1 TYR A 64 7.271 4.749 11.808 1.00 0.00 C ATOM 621 CE2 TYR A 64 7.837 2.771 10.591 1.00 0.00 C ATOM 622 CZ TYR A 64 7.634 3.439 11.758 1.00 0.00 C ATOM 623 OH TYR A 64 7.801 2.767 12.928 1.00 0.00 O ATOM 0 H TYR A 64 6.220 5.395 5.593 1.00 0.00 H new ATOM 0 HA TYR A 64 4.957 5.202 8.292 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.687 5.072 7.272 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.512 6.573 8.158 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.808 6.502 10.579 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.817 2.975 8.411 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.118 5.244 12.756 1.00 0.00 H new ATOM 0 HE2 TYR A 64 8.124 1.730 10.594 1.00 0.00 H new ATOM 0 HH TYR A 64 8.059 1.841 12.739 1.00 0.00 H new ATOM 633 N ILE A 65 4.110 7.469 8.036 1.00 0.00 N ATOM 634 CA ILE A 65 3.618 8.836 8.001 1.00 0.00 C ATOM 635 C ILE A 65 3.172 9.249 9.405 1.00 0.00 C ATOM 636 O ILE A 65 2.355 8.570 10.025 1.00 0.00 O ATOM 637 CB ILE A 65 2.527 8.986 6.940 1.00 0.00 C ATOM 638 CG1 ILE A 65 1.869 10.366 7.021 1.00 0.00 C ATOM 639 CG2 ILE A 65 1.501 7.856 7.044 1.00 0.00 C ATOM 640 CD1 ILE A 65 0.686 10.467 6.056 1.00 0.00 C ATOM 0 H ILE A 65 3.501 6.809 8.519 1.00 0.00 H new ATOM 0 HA ILE A 65 4.414 9.520 7.705 1.00 0.00 H new ATOM 0 HB ILE A 65 2.994 8.908 5.958 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.529 10.551 8.040 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.602 11.137 6.785 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.737 7.987 6.278 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.999 6.898 6.899 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.035 7.877 8.029 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.237 11.457 6.134 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.034 10.305 5.036 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.057 9.711 6.310 1.00 0.00 H new ATOM 652 N ASP A 66 3.728 10.360 9.866 1.00 0.00 N ATOM 653 CA ASP A 66 3.398 10.871 11.185 1.00 0.00 C ATOM 654 C ASP A 66 3.959 9.925 12.249 1.00 0.00 C ATOM 655 O ASP A 66 3.654 10.065 13.432 1.00 0.00 O ATOM 656 CB ASP A 66 1.883 10.955 11.379 1.00 0.00 C ATOM 657 CG ASP A 66 1.409 12.096 12.282 1.00 0.00 C ATOM 658 OD1 ASP A 66 0.750 13.011 11.741 1.00 0.00 O ATOM 659 OD2 ASP A 66 1.717 12.029 13.491 1.00 0.00 O ATOM 0 H ASP A 66 4.405 10.921 9.349 1.00 0.00 H new ATOM 0 HA ASP A 66 3.830 11.867 11.279 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.412 11.065 10.402 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.532 10.011 11.797 1.00 0.00 H new ATOM 664 N GLY A 67 4.770 8.983 11.790 1.00 0.00 N ATOM 665 CA GLY A 67 5.376 8.015 12.687 1.00 0.00 C ATOM 666 C GLY A 67 4.480 6.786 12.854 1.00 0.00 C ATOM 667 O GLY A 67 4.495 6.140 13.901 1.00 0.00 O ATOM 0 H GLY A 67 5.021 8.870 10.808 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.347 7.711 12.297 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.553 8.475 13.659 1.00 0.00 H new ATOM 671 N LYS A 68 3.720 6.500 11.807 1.00 0.00 N ATOM 672 CA LYS A 68 2.819 5.361 11.825 1.00 0.00 C ATOM 673 C LYS A 68 3.449 4.206 11.044 1.00 0.00 C ATOM 674 O LYS A 68 4.484 4.377 10.403 1.00 0.00 O ATOM 675 CB LYS A 68 1.434 5.764 11.315 1.00 0.00 C ATOM 676 CG LYS A 68 1.387 5.749 9.786 1.00 0.00 C ATOM 677 CD LYS A 68 0.382 4.713 9.279 1.00 0.00 C ATOM 678 CE LYS A 68 -1.055 5.202 9.472 1.00 0.00 C ATOM 679 NZ LYS A 68 -2.012 4.254 8.858 1.00 0.00 N ATOM 0 H LYS A 68 3.710 7.038 10.940 1.00 0.00 H new ATOM 0 HA LYS A 68 2.668 5.012 12.846 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.683 5.081 11.712 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.184 6.760 11.680 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.113 6.737 9.417 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.377 5.524 9.390 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.563 4.512 8.223 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.524 3.772 9.811 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.270 5.307 10.535 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.173 6.189 9.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.984 4.546 9.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.883 4.251 7.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.842 3.298 9.231 1.00 0.00 H new ATOM 693 N ARG A 69 2.798 3.054 11.125 1.00 0.00 N ATOM 694 CA ARG A 69 3.282 1.871 10.434 1.00 0.00 C ATOM 695 C ARG A 69 2.117 1.124 9.782 1.00 0.00 C ATOM 696 O ARG A 69 1.186 0.701 10.465 1.00 0.00 O ATOM 697 CB ARG A 69 4.008 0.929 11.396 1.00 0.00 C ATOM 698 CG ARG A 69 4.047 -0.497 10.843 1.00 0.00 C ATOM 699 CD ARG A 69 4.688 -0.528 9.454 1.00 0.00 C ATOM 700 NE ARG A 69 5.624 -1.670 9.354 1.00 0.00 N ATOM 701 CZ ARG A 69 6.866 -1.669 9.857 1.00 0.00 C ATOM 702 NH1 ARG A 69 7.329 -0.587 10.498 1.00 0.00 N ATOM 703 NH2 ARG A 69 7.645 -2.751 9.720 1.00 0.00 N ATOM 0 H ARG A 69 1.940 2.915 11.659 1.00 0.00 H new ATOM 0 HA ARG A 69 3.983 2.199 9.667 1.00 0.00 H new ATOM 0 HB2 ARG A 69 5.024 1.286 11.562 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.506 0.934 12.363 1.00 0.00 H new ATOM 0 HG2 ARG A 69 4.609 -1.139 11.521 1.00 0.00 H new ATOM 0 HG3 ARG A 69 3.035 -0.898 10.790 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.915 -0.612 8.690 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.219 0.406 9.269 1.00 0.00 H new ATOM 0 HE ARG A 69 5.304 -2.510 8.872 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.736 0.236 10.603 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.274 -0.587 10.881 1.00 0.00 H new ATOM 0 HH21 ARG A 69 7.292 -3.575 9.233 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.590 -2.750 10.103 1.00 0.00 H new ATOM 717 N LEU A 70 2.206 0.985 8.467 1.00 0.00 N ATOM 718 CA LEU A 70 1.171 0.297 7.715 1.00 0.00 C ATOM 719 C LEU A 70 1.817 -0.503 6.582 1.00 0.00 C ATOM 720 O LEU A 70 3.007 -0.351 6.309 1.00 0.00 O ATOM 721 CB LEU A 70 0.106 1.287 7.239 1.00 0.00 C ATOM 722 CG LEU A 70 0.202 1.724 5.776 1.00 0.00 C ATOM 723 CD1 LEU A 70 -0.845 1.009 4.920 1.00 0.00 C ATOM 724 CD2 LEU A 70 0.102 3.246 5.651 1.00 0.00 C ATOM 0 H LEU A 70 2.980 1.338 7.903 1.00 0.00 H new ATOM 0 HA LEU A 70 0.648 -0.416 8.352 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.875 0.840 7.400 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.158 2.176 7.867 1.00 0.00 H new ATOM 0 HG LEU A 70 1.181 1.433 5.396 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.755 1.338 3.885 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.685 -0.068 4.974 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.842 1.247 5.291 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.173 3.530 4.601 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.853 3.582 6.054 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.915 3.711 6.209 1.00 0.00 H new ATOM 736 N HIS A 71 1.004 -1.338 5.952 1.00 0.00 N ATOM 737 CA HIS A 71 1.481 -2.163 4.854 1.00 0.00 C ATOM 738 C HIS A 71 1.133 -1.495 3.522 1.00 0.00 C ATOM 739 O HIS A 71 -0.026 -1.169 3.271 1.00 0.00 O ATOM 740 CB HIS A 71 0.932 -3.586 4.965 1.00 0.00 C ATOM 741 CG HIS A 71 0.894 -4.334 3.654 1.00 0.00 C ATOM 742 ND1 HIS A 71 0.249 -4.053 2.485 1.00 0.00 N flip ATOM 743 CD2 HIS A 71 1.577 -5.520 3.447 1.00 0.00 C flip ATOM 744 CE1 HIS A 71 0.524 -5.014 1.612 1.00 0.00 C flip ATOM 745 NE2 HIS A 71 1.347 -5.924 2.207 1.00 0.00 N flip ATOM 0 H HIS A 71 0.018 -1.461 6.181 1.00 0.00 H new ATOM 0 HA HIS A 71 2.566 -2.250 4.905 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.543 -4.146 5.673 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.076 -3.544 5.377 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -0.344 -3.242 2.311 1.00 0.00 H new ATOM 0 HD2 HIS A 71 2.193 -6.029 4.173 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.157 -5.067 0.598 1.00 0.00 H new ATOM 753 N ILE A 72 2.159 -1.311 2.704 1.00 0.00 N ATOM 754 CA ILE A 72 1.976 -0.687 1.404 1.00 0.00 C ATOM 755 C ILE A 72 2.609 -1.570 0.327 1.00 0.00 C ATOM 756 O ILE A 72 3.317 -2.527 0.640 1.00 0.00 O ATOM 757 CB ILE A 72 2.511 0.746 1.417 1.00 0.00 C ATOM 758 CG1 ILE A 72 4.030 0.763 1.598 1.00 0.00 C ATOM 759 CG2 ILE A 72 1.799 1.588 2.478 1.00 0.00 C ATOM 760 CD1 ILE A 72 4.703 1.598 0.507 1.00 0.00 C ATOM 0 H ILE A 72 3.119 -1.583 2.916 1.00 0.00 H new ATOM 0 HA ILE A 72 0.915 -0.604 1.167 1.00 0.00 H new ATOM 0 HB ILE A 72 2.297 1.199 0.449 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.278 1.170 2.578 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.415 -0.257 1.570 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.198 2.602 2.466 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.731 1.616 2.264 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.960 1.146 3.461 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.782 1.593 0.659 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.472 1.174 -0.470 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.334 2.623 0.554 1.00 0.00 H new ATOM 772 N SER A 73 2.332 -1.218 -0.920 1.00 0.00 N ATOM 773 CA SER A 73 2.866 -1.966 -2.045 1.00 0.00 C ATOM 774 C SER A 73 4.360 -1.677 -2.205 1.00 0.00 C ATOM 775 O SER A 73 4.823 -0.586 -1.877 1.00 0.00 O ATOM 776 CB SER A 73 2.119 -1.627 -3.337 1.00 0.00 C ATOM 777 OG SER A 73 3.011 -1.335 -4.409 1.00 0.00 O ATOM 0 H SER A 73 1.744 -0.424 -1.176 1.00 0.00 H new ATOM 0 HA SER A 73 2.727 -3.028 -1.845 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.479 -2.464 -3.616 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.467 -0.771 -3.165 1.00 0.00 H new ATOM 0 HG SER A 73 2.495 -1.125 -5.216 1.00 0.00 H new ATOM 783 N GLU A 74 5.072 -2.673 -2.710 1.00 0.00 N ATOM 784 CA GLU A 74 6.504 -2.539 -2.917 1.00 0.00 C ATOM 785 C GLU A 74 6.791 -1.454 -3.957 1.00 0.00 C ATOM 786 O GLU A 74 7.779 -0.730 -3.848 1.00 0.00 O ATOM 787 CB GLU A 74 7.126 -3.874 -3.333 1.00 0.00 C ATOM 788 CG GLU A 74 6.753 -4.228 -4.774 1.00 0.00 C ATOM 789 CD GLU A 74 7.806 -3.708 -5.755 1.00 0.00 C ATOM 790 OE1 GLU A 74 8.585 -2.824 -5.337 1.00 0.00 O ATOM 791 OE2 GLU A 74 7.807 -4.205 -6.902 1.00 0.00 O ATOM 0 H GLU A 74 4.684 -3.576 -2.982 1.00 0.00 H new ATOM 0 HA GLU A 74 6.961 -2.241 -1.973 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.210 -3.819 -3.237 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.786 -4.662 -2.662 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.660 -5.309 -4.874 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.781 -3.800 -5.018 1.00 0.00 H new ATOM 798 N GLU A 75 5.908 -1.376 -4.942 1.00 0.00 N ATOM 799 CA GLU A 75 6.054 -0.391 -6.001 1.00 0.00 C ATOM 800 C GLU A 75 5.691 1.002 -5.483 1.00 0.00 C ATOM 801 O GLU A 75 6.314 1.992 -5.864 1.00 0.00 O ATOM 802 CB GLU A 75 5.204 -0.764 -7.217 1.00 0.00 C ATOM 803 CG GLU A 75 5.447 0.207 -8.374 1.00 0.00 C ATOM 804 CD GLU A 75 6.147 -0.495 -9.540 1.00 0.00 C ATOM 805 OE1 GLU A 75 7.240 -0.019 -9.915 1.00 0.00 O ATOM 806 OE2 GLU A 75 5.572 -1.490 -10.031 1.00 0.00 O ATOM 0 H GLU A 75 5.089 -1.978 -5.029 1.00 0.00 H new ATOM 0 HA GLU A 75 7.097 -0.378 -6.319 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.442 -1.780 -7.534 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.149 -0.754 -6.944 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.497 0.621 -8.712 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.055 1.043 -8.030 1.00 0.00 H new ATOM 813 N ASP A 76 4.683 1.035 -4.624 1.00 0.00 N ATOM 814 CA ASP A 76 4.228 2.291 -4.051 1.00 0.00 C ATOM 815 C ASP A 76 5.260 2.785 -3.035 1.00 0.00 C ATOM 816 O ASP A 76 5.390 3.988 -2.813 1.00 0.00 O ATOM 817 CB ASP A 76 2.895 2.113 -3.322 1.00 0.00 C ATOM 818 CG ASP A 76 1.662 2.554 -4.113 1.00 0.00 C ATOM 819 OD1 ASP A 76 0.608 1.907 -3.929 1.00 0.00 O ATOM 820 OD2 ASP A 76 1.801 3.528 -4.884 1.00 0.00 O ATOM 0 H ASP A 76 4.168 0.212 -4.311 1.00 0.00 H new ATOM 0 HA ASP A 76 4.102 3.007 -4.863 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.781 1.062 -3.056 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.930 2.676 -2.389 1.00 0.00 H new ATOM 825 N ALA A 77 5.968 1.832 -2.446 1.00 0.00 N ATOM 826 CA ALA A 77 6.984 2.156 -1.459 1.00 0.00 C ATOM 827 C ALA A 77 8.180 2.805 -2.159 1.00 0.00 C ATOM 828 O ALA A 77 8.871 3.636 -1.572 1.00 0.00 O ATOM 829 CB ALA A 77 7.373 0.890 -0.693 1.00 0.00 C ATOM 0 H ALA A 77 5.858 0.835 -2.633 1.00 0.00 H new ATOM 0 HA ALA A 77 6.599 2.872 -0.732 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.135 1.133 0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.495 0.485 -0.190 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.767 0.150 -1.390 1.00 0.00 H new ATOM 835 N GLN A 78 8.387 2.401 -3.404 1.00 0.00 N ATOM 836 CA GLN A 78 9.487 2.933 -4.190 1.00 0.00 C ATOM 837 C GLN A 78 9.146 4.335 -4.699 1.00 0.00 C ATOM 838 O GLN A 78 9.982 5.237 -4.651 1.00 0.00 O ATOM 839 CB GLN A 78 9.834 1.998 -5.350 1.00 0.00 C ATOM 840 CG GLN A 78 11.300 2.154 -5.760 1.00 0.00 C ATOM 841 CD GLN A 78 11.426 2.988 -7.037 1.00 0.00 C ATOM 842 OE1 GLN A 78 10.507 3.098 -7.831 1.00 0.00 O ATOM 843 NE2 GLN A 78 12.614 3.568 -7.189 1.00 0.00 N ATOM 0 H GLN A 78 7.812 1.712 -3.888 1.00 0.00 H new ATOM 0 HA GLN A 78 10.365 3.004 -3.549 1.00 0.00 H new ATOM 0 HB2 GLN A 78 9.642 0.965 -5.059 1.00 0.00 H new ATOM 0 HB3 GLN A 78 9.189 2.215 -6.202 1.00 0.00 H new ATOM 0 HG2 GLN A 78 11.858 2.630 -4.954 1.00 0.00 H new ATOM 0 HG3 GLN A 78 11.744 1.171 -5.918 1.00 0.00 H new ATOM 0 HE21 GLN A 78 13.340 3.435 -6.485 1.00 0.00 H new ATOM 0 HE22 GLN A 78 12.798 4.146 -8.009 1.00 0.00 H new ATOM 852 N ARG A 79 7.918 4.475 -5.175 1.00 0.00 N ATOM 853 CA ARG A 79 7.457 5.752 -5.693 1.00 0.00 C ATOM 854 C ARG A 79 7.333 6.771 -4.558 1.00 0.00 C ATOM 855 O ARG A 79 7.494 7.971 -4.776 1.00 0.00 O ATOM 856 CB ARG A 79 6.102 5.607 -6.390 1.00 0.00 C ATOM 857 CG ARG A 79 6.240 5.804 -7.901 1.00 0.00 C ATOM 858 CD ARG A 79 4.964 5.372 -8.628 1.00 0.00 C ATOM 859 NE ARG A 79 5.030 5.777 -10.050 1.00 0.00 N ATOM 860 CZ ARG A 79 5.667 5.080 -11.000 1.00 0.00 C ATOM 861 NH1 ARG A 79 6.296 3.940 -10.687 1.00 0.00 N ATOM 862 NH2 ARG A 79 5.675 5.524 -12.265 1.00 0.00 N ATOM 0 H ARG A 79 7.228 3.725 -5.213 1.00 0.00 H new ATOM 0 HA ARG A 79 8.191 6.100 -6.420 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.687 4.620 -6.185 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.401 6.338 -5.987 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.449 6.852 -8.117 1.00 0.00 H new ATOM 0 HG3 ARG A 79 7.087 5.227 -8.271 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.842 4.291 -8.554 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.094 5.824 -8.152 1.00 0.00 H new ATOM 0 HE ARG A 79 4.561 6.641 -10.324 1.00 0.00 H new ATOM 0 HH11 ARG A 79 6.290 3.602 -9.725 1.00 0.00 H new ATOM 0 HH12 ARG A 79 6.781 3.410 -11.411 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.196 6.392 -12.504 1.00 0.00 H new ATOM 0 HH22 ARG A 79 6.160 4.993 -12.989 1.00 0.00 H new ATOM 876 N LEU A 80 7.047 6.256 -3.371 1.00 0.00 N ATOM 877 CA LEU A 80 6.899 7.105 -2.202 1.00 0.00 C ATOM 878 C LEU A 80 8.162 7.952 -2.029 1.00 0.00 C ATOM 879 O LEU A 80 8.079 9.158 -1.803 1.00 0.00 O ATOM 880 CB LEU A 80 6.548 6.267 -0.971 1.00 0.00 C ATOM 881 CG LEU A 80 5.317 6.718 -0.182 1.00 0.00 C ATOM 882 CD1 LEU A 80 4.544 5.515 0.362 1.00 0.00 C ATOM 883 CD2 LEU A 80 5.706 7.699 0.926 1.00 0.00 C ATOM 0 H LEU A 80 6.914 5.260 -3.194 1.00 0.00 H new ATOM 0 HA LEU A 80 6.067 7.796 -2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.393 5.236 -1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.406 6.267 -0.299 1.00 0.00 H new ATOM 0 HG LEU A 80 4.650 7.248 -0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.674 5.863 0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.217 4.887 -0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.190 4.936 1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.813 8.004 1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.403 7.216 1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.180 8.576 0.485 1.00 0.00 H new ATOM 895 N VAL A 81 9.302 7.286 -2.144 1.00 0.00 N ATOM 896 CA VAL A 81 10.580 7.963 -2.003 1.00 0.00 C ATOM 897 C VAL A 81 10.821 8.849 -3.226 1.00 0.00 C ATOM 898 O VAL A 81 11.184 10.017 -3.090 1.00 0.00 O ATOM 899 CB VAL A 81 11.693 6.937 -1.780 1.00 0.00 C ATOM 900 CG1 VAL A 81 13.062 7.530 -2.121 1.00 0.00 C ATOM 901 CG2 VAL A 81 11.669 6.403 -0.346 1.00 0.00 C ATOM 0 H VAL A 81 9.367 6.286 -2.333 1.00 0.00 H new ATOM 0 HA VAL A 81 10.574 8.612 -1.128 1.00 0.00 H new ATOM 0 HB VAL A 81 11.514 6.098 -2.453 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.835 6.780 -1.954 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.075 7.838 -3.167 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.252 8.395 -1.486 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.470 5.676 -0.215 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.810 7.228 0.352 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.709 5.924 -0.152 1.00 0.00 H new ATOM 911 N VAL A 82 10.609 8.261 -4.394 1.00 0.00 N ATOM 912 CA VAL A 82 10.798 8.983 -5.641 1.00 0.00 C ATOM 913 C VAL A 82 10.034 10.307 -5.580 1.00 0.00 C ATOM 914 O VAL A 82 10.492 11.317 -6.112 1.00 0.00 O ATOM 915 CB VAL A 82 10.380 8.105 -6.823 1.00 0.00 C ATOM 916 CG1 VAL A 82 10.276 8.929 -8.108 1.00 0.00 C ATOM 917 CG2 VAL A 82 11.343 6.930 -7.001 1.00 0.00 C ATOM 0 H VAL A 82 10.308 7.293 -4.503 1.00 0.00 H new ATOM 0 HA VAL A 82 11.851 9.222 -5.788 1.00 0.00 H new ATOM 0 HB VAL A 82 9.393 7.698 -6.605 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.978 8.281 -8.932 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.533 9.715 -7.977 1.00 0.00 H new ATOM 0 HG13 VAL A 82 11.244 9.378 -8.332 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.023 6.322 -7.847 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.348 7.308 -7.185 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.345 6.321 -6.097 1.00 0.00 H new ATOM 927 N ALA A 83 8.883 10.259 -4.926 1.00 0.00 N ATOM 928 CA ALA A 83 8.051 11.442 -4.788 1.00 0.00 C ATOM 929 C ALA A 83 8.778 12.474 -3.924 1.00 0.00 C ATOM 930 O ALA A 83 8.555 13.676 -4.066 1.00 0.00 O ATOM 931 CB ALA A 83 6.693 11.047 -4.205 1.00 0.00 C ATOM 0 H ALA A 83 8.507 9.419 -4.486 1.00 0.00 H new ATOM 0 HA ALA A 83 7.868 11.897 -5.761 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.069 11.935 -4.102 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.204 10.336 -4.871 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.837 10.589 -3.227 1.00 0.00 H new ATOM 937 N GLY A 84 9.633 11.968 -3.047 1.00 0.00 N ATOM 938 CA GLY A 84 10.394 12.830 -2.160 1.00 0.00 C ATOM 939 C GLY A 84 10.451 12.249 -0.746 1.00 0.00 C ATOM 940 O GLY A 84 11.189 12.745 0.104 1.00 0.00 O ATOM 0 H GLY A 84 9.815 10.971 -2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 84 11.405 12.954 -2.547 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.940 13.821 -2.132 1.00 0.00 H new ATOM 944 N ALA A 85 9.661 11.207 -0.537 1.00 0.00 N ATOM 945 CA ALA A 85 9.611 10.553 0.760 1.00 0.00 C ATOM 946 C ALA A 85 11.011 10.057 1.130 1.00 0.00 C ATOM 947 O ALA A 85 11.810 9.733 0.253 1.00 0.00 O ATOM 948 CB ALA A 85 8.583 9.421 0.723 1.00 0.00 C ATOM 0 H ALA A 85 9.050 10.799 -1.244 1.00 0.00 H new ATOM 0 HA ALA A 85 9.294 11.255 1.531 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.546 8.931 1.696 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.601 9.829 0.485 1.00 0.00 H new ATOM 0 HB3 ALA A 85 8.869 8.695 -0.038 1.00 0.00 H new ATOM 954 N GLU A 86 11.264 10.014 2.430 1.00 0.00 N ATOM 955 CA GLU A 86 12.553 9.563 2.926 1.00 0.00 C ATOM 956 C GLU A 86 12.712 8.058 2.701 1.00 0.00 C ATOM 957 O GLU A 86 11.727 7.322 2.685 1.00 0.00 O ATOM 958 CB GLU A 86 12.726 9.918 4.404 1.00 0.00 C ATOM 959 CG GLU A 86 14.033 10.679 4.637 1.00 0.00 C ATOM 960 CD GLU A 86 14.051 11.990 3.848 1.00 0.00 C ATOM 961 OE1 GLU A 86 15.062 12.219 3.150 1.00 0.00 O ATOM 962 OE2 GLU A 86 13.053 12.734 3.962 1.00 0.00 O ATOM 0 H GLU A 86 10.599 10.284 3.154 1.00 0.00 H new ATOM 0 HA GLU A 86 13.335 10.078 2.368 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.884 10.525 4.737 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.720 9.008 5.003 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.152 10.888 5.700 1.00 0.00 H new ATOM 0 HG3 GLU A 86 14.878 10.059 4.338 1.00 0.00 H new ATOM 969 N ASP A 87 13.960 7.645 2.533 1.00 0.00 N ATOM 970 CA ASP A 87 14.260 6.242 2.310 1.00 0.00 C ATOM 971 C ASP A 87 15.240 5.758 3.381 1.00 0.00 C ATOM 972 O ASP A 87 16.391 6.189 3.415 1.00 0.00 O ATOM 973 CB ASP A 87 14.912 6.028 0.942 1.00 0.00 C ATOM 974 CG ASP A 87 14.468 4.764 0.204 1.00 0.00 C ATOM 975 OD1 ASP A 87 14.253 3.747 0.899 1.00 0.00 O ATOM 976 OD2 ASP A 87 14.352 4.843 -1.038 1.00 0.00 O ATOM 0 H ASP A 87 14.775 8.258 2.547 1.00 0.00 H new ATOM 0 HA ASP A 87 13.323 5.686 2.354 1.00 0.00 H new ATOM 0 HB2 ASP A 87 14.695 6.892 0.314 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.993 5.993 1.073 1.00 0.00 H new ATOM 981 N GLN A 88 14.747 4.868 4.230 1.00 0.00 N ATOM 982 CA GLN A 88 15.565 4.320 5.299 1.00 0.00 C ATOM 983 C GLN A 88 15.614 2.794 5.202 1.00 0.00 C ATOM 984 O GLN A 88 16.408 2.150 5.885 1.00 0.00 O ATOM 985 CB GLN A 88 15.047 4.766 6.668 1.00 0.00 C ATOM 986 CG GLN A 88 14.703 6.257 6.665 1.00 0.00 C ATOM 987 CD GLN A 88 15.879 7.090 6.151 1.00 0.00 C ATOM 988 OE1 GLN A 88 15.517 8.158 5.445 1.00 0.00 O flip ATOM 989 NE2 GLN A 88 17.037 6.784 6.379 1.00 0.00 N flip ATOM 0 H GLN A 88 13.791 4.513 4.199 1.00 0.00 H new ATOM 0 HA GLN A 88 16.579 4.704 5.187 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.163 4.186 6.933 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.801 4.565 7.429 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.828 6.431 6.038 1.00 0.00 H new ATOM 0 HG3 GLN A 88 14.441 6.575 7.674 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.245 5.950 6.928 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.797 7.362 6.020 1.00 0.00 H new ATOM 998 N ARG A 89 14.754 2.260 4.347 1.00 0.00 N ATOM 999 CA ARG A 89 14.689 0.821 4.152 1.00 0.00 C ATOM 1000 C ARG A 89 15.967 0.319 3.476 1.00 0.00 C ATOM 1001 O ARG A 89 16.390 -0.813 3.705 1.00 0.00 O ATOM 1002 CB ARG A 89 13.482 0.436 3.294 1.00 0.00 C ATOM 1003 CG ARG A 89 13.327 1.387 2.106 1.00 0.00 C ATOM 1004 CD ARG A 89 12.558 0.718 0.965 1.00 0.00 C ATOM 1005 NE ARG A 89 13.299 0.878 -0.307 1.00 0.00 N ATOM 1006 CZ ARG A 89 12.923 0.328 -1.469 1.00 0.00 C ATOM 1007 NH1 ARG A 89 11.813 -0.420 -1.529 1.00 0.00 N ATOM 1008 NH2 ARG A 89 13.657 0.526 -2.573 1.00 0.00 N ATOM 0 H ARG A 89 14.097 2.797 3.782 1.00 0.00 H new ATOM 0 HA ARG A 89 14.586 0.357 5.133 1.00 0.00 H new ATOM 0 HB2 ARG A 89 13.599 -0.586 2.933 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.578 0.458 3.902 1.00 0.00 H new ATOM 0 HG2 ARG A 89 12.803 2.288 2.423 1.00 0.00 H new ATOM 0 HG3 ARG A 89 14.311 1.698 1.753 1.00 0.00 H new ATOM 0 HD2 ARG A 89 12.417 -0.341 1.182 1.00 0.00 H new ATOM 0 HD3 ARG A 89 11.566 1.160 0.876 1.00 0.00 H new ATOM 0 HE ARG A 89 14.149 1.442 -0.298 1.00 0.00 H new ATOM 0 HH11 ARG A 89 11.254 -0.571 -0.689 1.00 0.00 H new ATOM 0 HH12 ARG A 89 11.527 -0.838 -2.414 1.00 0.00 H new ATOM 0 HH21 ARG A 89 14.502 1.096 -2.528 1.00 0.00 H new ATOM 0 HH22 ARG A 89 13.371 0.107 -3.458 1.00 0.00 H new ATOM 1022 N ARG A 90 16.545 1.186 2.658 1.00 0.00 N ATOM 1023 CA ARG A 90 17.766 0.844 1.948 1.00 0.00 C ATOM 1024 C ARG A 90 18.547 2.112 1.596 1.00 0.00 C ATOM 1025 O ARG A 90 18.214 3.200 2.062 1.00 0.00 O ATOM 1026 CB ARG A 90 17.459 0.070 0.665 1.00 0.00 C ATOM 1027 CG ARG A 90 17.801 -1.413 0.825 1.00 0.00 C ATOM 1028 CD ARG A 90 16.541 -2.241 1.088 1.00 0.00 C ATOM 1029 NE ARG A 90 16.863 -3.385 1.970 1.00 0.00 N ATOM 1030 CZ ARG A 90 15.990 -4.345 2.304 1.00 0.00 C ATOM 1031 NH1 ARG A 90 14.737 -4.304 1.832 1.00 0.00 N ATOM 1032 NH2 ARG A 90 16.371 -5.346 3.109 1.00 0.00 N ATOM 0 H ARG A 90 16.191 2.124 2.471 1.00 0.00 H new ATOM 0 HA ARG A 90 18.366 0.213 2.604 1.00 0.00 H new ATOM 0 HB2 ARG A 90 16.404 0.179 0.414 1.00 0.00 H new ATOM 0 HB3 ARG A 90 18.029 0.491 -0.163 1.00 0.00 H new ATOM 0 HG2 ARG A 90 18.297 -1.775 -0.076 1.00 0.00 H new ATOM 0 HG3 ARG A 90 18.503 -1.541 1.649 1.00 0.00 H new ATOM 0 HD2 ARG A 90 15.776 -1.618 1.551 1.00 0.00 H new ATOM 0 HD3 ARG A 90 16.130 -2.602 0.145 1.00 0.00 H new ATOM 0 HE ARG A 90 17.809 -3.446 2.347 1.00 0.00 H new ATOM 0 HH11 ARG A 90 14.448 -3.542 1.219 1.00 0.00 H new ATOM 0 HH12 ARG A 90 14.072 -5.035 2.086 1.00 0.00 H new ATOM 0 HH21 ARG A 90 17.325 -5.377 3.467 1.00 0.00 H new ATOM 0 HH22 ARG A 90 15.707 -6.077 3.363 1.00 0.00 H new ATOM 1046 N HIS A 91 19.572 1.929 0.776 1.00 0.00 N ATOM 1047 CA HIS A 91 20.403 3.044 0.355 1.00 0.00 C ATOM 1048 C HIS A 91 20.046 3.438 -1.079 1.00 0.00 C ATOM 1049 O HIS A 91 20.885 3.360 -1.975 1.00 0.00 O ATOM 1050 CB HIS A 91 21.886 2.711 0.527 1.00 0.00 C ATOM 1051 CG HIS A 91 22.376 1.602 -0.374 1.00 0.00 C ATOM 1052 ND1 HIS A 91 22.931 1.646 -1.619 1.00 0.00 N flip ATOM 1053 CD2 HIS A 91 22.317 0.266 -0.018 1.00 0.00 C flip ATOM 1054 CE1 HIS A 91 23.198 0.404 -2.002 1.00 0.00 C flip ATOM 1055 NE2 HIS A 91 22.819 -0.453 -1.011 1.00 0.00 N flip ATOM 0 H HIS A 91 19.846 1.025 0.392 1.00 0.00 H new ATOM 0 HA HIS A 91 20.208 3.908 0.991 1.00 0.00 H new ATOM 0 HB2 HIS A 91 22.474 3.608 0.334 1.00 0.00 H new ATOM 0 HB3 HIS A 91 22.066 2.429 1.564 1.00 0.00 H new ATOM 0 HD2 HIS A 91 21.928 -0.124 0.911 1.00 0.00 H new ATOM 0 HE1 HIS A 91 23.643 0.119 -2.944 1.00 0.00 H new ATOM 0 HE2 HIS A 91 22.907 -1.469 -1.031 1.00 0.00 H new ATOM 1063 N LEU A 92 18.800 3.852 -1.253 1.00 0.00 N ATOM 1064 CA LEU A 92 18.321 4.258 -2.563 1.00 0.00 C ATOM 1065 C LEU A 92 19.390 5.111 -3.250 1.00 0.00 C ATOM 1066 O LEU A 92 19.796 4.818 -4.374 1.00 0.00 O ATOM 1067 CB LEU A 92 16.963 4.952 -2.447 1.00 0.00 C ATOM 1068 CG LEU A 92 15.959 4.653 -3.563 1.00 0.00 C ATOM 1069 CD1 LEU A 92 16.537 5.021 -4.931 1.00 0.00 C ATOM 1070 CD2 LEU A 92 15.496 3.196 -3.508 1.00 0.00 C ATOM 0 H LEU A 92 18.107 3.915 -0.508 1.00 0.00 H new ATOM 0 HA LEU A 92 18.154 3.385 -3.194 1.00 0.00 H new ATOM 0 HB2 LEU A 92 16.513 4.669 -1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 92 17.129 6.029 -2.414 1.00 0.00 H new ATOM 0 HG LEU A 92 15.078 5.276 -3.407 1.00 0.00 H new ATOM 0 HD11 LEU A 92 15.805 4.799 -5.707 1.00 0.00 H new ATOM 0 HD12 LEU A 92 16.776 6.084 -4.951 1.00 0.00 H new ATOM 0 HD13 LEU A 92 17.443 4.442 -5.111 1.00 0.00 H new ATOM 0 HD21 LEU A 92 14.783 3.010 -4.312 1.00 0.00 H new ATOM 0 HD22 LEU A 92 16.356 2.536 -3.626 1.00 0.00 H new ATOM 0 HD23 LEU A 92 15.019 3.002 -2.548 1.00 0.00 H new ATOM 1082 N MET A 93 19.817 6.148 -2.545 1.00 0.00 N ATOM 1083 CA MET A 93 20.831 7.046 -3.072 1.00 0.00 C ATOM 1084 C MET A 93 20.493 7.474 -4.502 1.00 0.00 C ATOM 1085 O MET A 93 20.783 6.753 -5.455 1.00 0.00 O ATOM 1086 CB MET A 93 22.191 6.345 -3.056 1.00 0.00 C ATOM 1087 CG MET A 93 22.732 6.231 -1.630 1.00 0.00 C ATOM 1088 SD MET A 93 23.874 7.563 -1.302 1.00 0.00 S ATOM 1089 CE MET A 93 22.838 8.621 -0.306 1.00 0.00 C ATOM 0 H MET A 93 19.479 6.387 -1.613 1.00 0.00 H new ATOM 0 HA MET A 93 20.864 7.937 -2.444 1.00 0.00 H new ATOM 0 HB2 MET A 93 22.097 5.351 -3.494 1.00 0.00 H new ATOM 0 HB3 MET A 93 22.897 6.900 -3.674 1.00 0.00 H new ATOM 0 HG2 MET A 93 21.909 6.263 -0.916 1.00 0.00 H new ATOM 0 HG3 MET A 93 23.232 5.271 -1.498 1.00 0.00 H new ATOM 0 HE1 MET A 93 23.458 9.349 0.218 1.00 0.00 H new ATOM 0 HE2 MET A 93 22.128 9.144 -0.947 1.00 0.00 H new ATOM 0 HE3 MET A 93 22.294 8.018 0.421 1.00 0.00 H new ATOM 1099 N ALA A 94 19.886 8.647 -4.606 1.00 0.00 N ATOM 1100 CA ALA A 94 19.507 9.181 -5.903 1.00 0.00 C ATOM 1101 C ALA A 94 18.286 8.420 -6.425 1.00 0.00 C ATOM 1102 O ALA A 94 18.421 7.496 -7.226 1.00 0.00 O ATOM 1103 CB ALA A 94 20.698 9.097 -6.859 1.00 0.00 C ATOM 0 H ALA A 94 19.647 9.243 -3.813 1.00 0.00 H new ATOM 0 HA ALA A 94 19.231 10.232 -5.819 1.00 0.00 H new ATOM 0 HB1 ALA A 94 20.413 9.498 -7.832 1.00 0.00 H new ATOM 0 HB2 ALA A 94 21.529 9.677 -6.457 1.00 0.00 H new ATOM 0 HB3 ALA A 94 21.002 8.056 -6.970 1.00 0.00 H new ATOM 1109 N ASP A 95 17.121 8.837 -5.950 1.00 0.00 N ATOM 1110 CA ASP A 95 15.878 8.207 -6.359 1.00 0.00 C ATOM 1111 C ASP A 95 15.790 8.206 -7.887 1.00 0.00 C ATOM 1112 O ASP A 95 15.999 9.236 -8.525 1.00 0.00 O ATOM 1113 CB ASP A 95 14.668 8.971 -5.817 1.00 0.00 C ATOM 1114 CG ASP A 95 14.731 10.490 -5.993 1.00 0.00 C ATOM 1115 OD1 ASP A 95 15.395 11.132 -5.151 1.00 0.00 O ATOM 1116 OD2 ASP A 95 14.113 10.974 -6.965 1.00 0.00 O ATOM 0 H ASP A 95 17.012 9.603 -5.286 1.00 0.00 H new ATOM 0 HA ASP A 95 15.870 7.191 -5.964 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.771 8.600 -6.313 1.00 0.00 H new ATOM 0 HB3 ASP A 95 14.562 8.747 -4.756 1.00 0.00 H new ATOM 1121 N ASP A 96 15.479 7.037 -8.429 1.00 0.00 N ATOM 1122 CA ASP A 96 15.361 6.888 -9.869 1.00 0.00 C ATOM 1123 C ASP A 96 13.934 6.461 -10.218 1.00 0.00 C ATOM 1124 O ASP A 96 13.526 5.340 -9.916 1.00 0.00 O ATOM 1125 CB ASP A 96 16.317 5.815 -10.392 1.00 0.00 C ATOM 1126 CG ASP A 96 17.752 5.917 -9.870 1.00 0.00 C ATOM 1127 OD1 ASP A 96 18.426 6.897 -10.253 1.00 0.00 O ATOM 1128 OD2 ASP A 96 18.141 5.012 -9.100 1.00 0.00 O ATOM 0 H ASP A 96 15.305 6.185 -7.896 1.00 0.00 H new ATOM 0 HA ASP A 96 15.608 7.845 -10.328 1.00 0.00 H new ATOM 0 HB2 ASP A 96 15.919 4.835 -10.128 1.00 0.00 H new ATOM 0 HB3 ASP A 96 16.338 5.868 -11.481 1.00 0.00 H new TER 1133 ASP A 96