USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 598 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 GLN : amide:sc= -4.58! C(o=-6.6!,f=-14!) USER MOD Set 1.2: A 76 GLN : amide:sc= -2.05 K(o=-6.6,f=-8.8!) USER MOD Set 2.1: A 56 GLN : amide:sc= -6.24! C(o=-5.5!,f=-14!) USER MOD Set 2.2: A 62 SER OG : rot -61:sc= 0.789 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -3.01! C(o=-3!,f=-7.1!) USER MOD Single : A 25 ASN : amide:sc= -0.431 K(o=-0.43,f=-1.7!) USER MOD Single : A 27 LYS NZ :NH3+ 161:sc= -0.128 (180deg=-0.864) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 90:sc= -1.98 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 150:sc= -1.47! USER MOD Single : A 43 THR OG1 : rot 160:sc= -0.719 USER MOD Single : A 49 MET CE :methyl -145:sc= -0.614 (180deg=-2.69!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -132:sc= -0.138 (180deg=-2.17!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -149:sc= -3.19! (180deg=-6.73!) USER MOD Single : A 86 ASN : amide:sc= -3.02! C(o=-3!,f=-7.6!) USER MOD Single : A 92 HIS : no HD1:sc= -0.452 X(o=-0.45,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 17 N THR A 22 3.924 1.371 -0.536 1.00 0.00 N ATOM 18 CA THR A 22 5.312 1.676 -0.231 1.00 0.00 C ATOM 19 C THR A 22 5.397 2.821 0.780 1.00 0.00 C ATOM 20 O THR A 22 4.493 3.652 0.860 1.00 0.00 O ATOM 21 CB THR A 22 6.031 1.974 -1.548 1.00 0.00 C ATOM 22 OG1 THR A 22 7.206 1.170 -1.492 1.00 0.00 O ATOM 23 CG2 THR A 22 6.563 3.407 -1.613 1.00 0.00 C ATOM 0 HA THR A 22 5.808 0.829 0.243 1.00 0.00 H new ATOM 0 HB THR A 22 5.349 1.802 -2.381 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.731 1.301 -2.309 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.064 3.566 -2.568 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.734 4.108 -1.517 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.271 3.570 -0.800 1.00 0.00 H new ATOM 31 N HIS A 23 6.491 2.828 1.528 1.00 0.00 N ATOM 32 CA HIS A 23 6.705 3.857 2.531 1.00 0.00 C ATOM 33 C HIS A 23 7.469 5.028 1.909 1.00 0.00 C ATOM 34 O HIS A 23 8.605 4.868 1.466 1.00 0.00 O ATOM 35 CB HIS A 23 7.406 3.279 3.761 1.00 0.00 C ATOM 36 CG HIS A 23 7.471 4.228 4.934 1.00 0.00 C ATOM 37 ND1 HIS A 23 6.988 5.524 4.877 1.00 0.00 N ATOM 38 CD2 HIS A 23 7.967 4.057 6.193 1.00 0.00 C ATOM 39 CE1 HIS A 23 7.189 6.097 6.055 1.00 0.00 C ATOM 40 NE2 HIS A 23 7.796 5.186 6.869 1.00 0.00 N ATOM 0 H HIS A 23 7.238 2.137 1.459 1.00 0.00 H new ATOM 0 HA HIS A 23 5.744 4.238 2.878 1.00 0.00 H new ATOM 0 HB2 HIS A 23 6.887 2.372 4.069 1.00 0.00 H new ATOM 0 HB3 HIS A 23 8.420 2.988 3.486 1.00 0.00 H new ATOM 0 HD2 HIS A 23 8.422 3.155 6.575 1.00 0.00 H new ATOM 0 HE1 HIS A 23 6.920 7.108 6.323 1.00 0.00 H new ATOM 0 HE2 HIS A 23 8.073 5.346 7.838 1.00 0.00 H new ATOM 48 N ILE A 24 6.813 6.180 1.895 1.00 0.00 N ATOM 49 CA ILE A 24 7.416 7.377 1.335 1.00 0.00 C ATOM 50 C ILE A 24 6.760 8.612 1.957 1.00 0.00 C ATOM 51 O ILE A 24 5.887 8.490 2.814 1.00 0.00 O ATOM 52 CB ILE A 24 7.346 7.348 -0.193 1.00 0.00 C ATOM 53 CG1 ILE A 24 5.897 7.418 -0.677 1.00 0.00 C ATOM 54 CG2 ILE A 24 8.079 6.126 -0.752 1.00 0.00 C ATOM 55 CD1 ILE A 24 5.783 8.262 -1.948 1.00 0.00 C ATOM 0 H ILE A 24 5.870 6.309 2.263 1.00 0.00 H new ATOM 0 HA ILE A 24 8.477 7.420 1.582 1.00 0.00 H new ATOM 0 HB ILE A 24 7.856 8.232 -0.575 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.525 6.412 -0.870 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.269 7.845 0.105 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.014 6.129 -1.840 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.126 6.160 -0.451 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.619 5.217 -0.364 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.742 8.295 -2.271 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.133 9.274 -1.745 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.393 7.819 -2.735 1.00 0.00 H new ATOM 67 N ASN A 25 7.207 9.773 1.500 1.00 0.00 N ATOM 68 CA ASN A 25 6.674 11.029 2.001 1.00 0.00 C ATOM 69 C ASN A 25 5.757 11.646 0.944 1.00 0.00 C ATOM 70 O ASN A 25 5.939 11.418 -0.251 1.00 0.00 O ATOM 71 CB ASN A 25 7.797 12.026 2.294 1.00 0.00 C ATOM 72 CG ASN A 25 8.431 12.533 0.998 1.00 0.00 C ATOM 73 OD1 ASN A 25 7.878 13.355 0.285 1.00 0.00 O ATOM 74 ND2 ASN A 25 9.620 11.999 0.732 1.00 0.00 N ATOM 0 H ASN A 25 7.932 9.870 0.789 1.00 0.00 H new ATOM 0 HA ASN A 25 6.128 10.821 2.921 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.402 12.867 2.863 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.558 11.551 2.914 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.125 12.273 -0.111 1.00 0.00 H new ATOM 0 HD22 ASN A 25 10.027 11.316 1.371 1.00 0.00 H new ATOM 81 N LEU A 26 4.791 12.417 1.422 1.00 0.00 N ATOM 82 CA LEU A 26 3.845 13.069 0.532 1.00 0.00 C ATOM 83 C LEU A 26 3.938 14.585 0.719 1.00 0.00 C ATOM 84 O LEU A 26 4.087 15.068 1.841 1.00 0.00 O ATOM 85 CB LEU A 26 2.437 12.509 0.743 1.00 0.00 C ATOM 86 CG LEU A 26 1.287 13.502 0.568 1.00 0.00 C ATOM 87 CD1 LEU A 26 0.109 12.854 -0.163 1.00 0.00 C ATOM 88 CD2 LEU A 26 0.868 14.099 1.913 1.00 0.00 C ATOM 0 H LEU A 26 4.643 12.605 2.414 1.00 0.00 H new ATOM 0 HA LEU A 26 4.094 12.859 -0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.287 11.684 0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.380 12.092 1.748 1.00 0.00 H new ATOM 0 HG LEU A 26 1.639 14.325 -0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.695 13.582 -0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.433 12.517 -1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.251 12.001 0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.049 14.802 1.760 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.542 13.301 2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.715 14.621 2.359 1.00 0.00 H new ATOM 100 N LYS A 27 3.846 15.293 -0.397 1.00 0.00 N ATOM 101 CA LYS A 27 3.918 16.744 -0.370 1.00 0.00 C ATOM 102 C LYS A 27 2.782 17.323 -1.215 1.00 0.00 C ATOM 103 O LYS A 27 2.790 17.201 -2.439 1.00 0.00 O ATOM 104 CB LYS A 27 5.308 17.220 -0.800 1.00 0.00 C ATOM 105 CG LYS A 27 5.973 18.040 0.307 1.00 0.00 C ATOM 106 CD LYS A 27 6.827 17.149 1.211 1.00 0.00 C ATOM 107 CE LYS A 27 8.271 17.650 1.269 1.00 0.00 C ATOM 108 NZ LYS A 27 8.678 17.900 2.670 1.00 0.00 N ATOM 0 H LYS A 27 3.722 14.889 -1.325 1.00 0.00 H new ATOM 0 HA LYS A 27 3.780 17.113 0.646 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.931 16.360 -1.045 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.226 17.822 -1.705 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.595 18.818 -0.135 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.210 18.542 0.901 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.404 17.132 2.215 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.809 16.124 0.840 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.936 16.914 0.817 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.368 18.567 0.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.716 17.923 2.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.292 18.813 2.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.312 17.140 3.279 1.00 0.00 H new ATOM 121 N VAL A 28 1.831 17.939 -0.529 1.00 0.00 N ATOM 122 CA VAL A 28 0.690 18.537 -1.201 1.00 0.00 C ATOM 123 C VAL A 28 0.919 20.043 -1.345 1.00 0.00 C ATOM 124 O VAL A 28 1.026 20.756 -0.348 1.00 0.00 O ATOM 125 CB VAL A 28 -0.598 18.197 -0.447 1.00 0.00 C ATOM 126 CG1 VAL A 28 -0.600 16.735 0.004 1.00 0.00 C ATOM 127 CG2 VAL A 28 -0.802 19.139 0.741 1.00 0.00 C ATOM 0 H VAL A 28 1.827 18.037 0.486 1.00 0.00 H new ATOM 0 HA VAL A 28 0.581 18.128 -2.205 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.434 18.336 -1.132 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.526 16.520 0.537 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.524 16.085 -0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.249 16.557 0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.724 18.876 1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.040 19.046 1.427 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.867 20.167 0.383 1.00 0.00 H new ATOM 137 N SER A 29 0.987 20.482 -2.593 1.00 0.00 N ATOM 138 CA SER A 29 1.202 21.890 -2.880 1.00 0.00 C ATOM 139 C SER A 29 -0.069 22.503 -3.472 1.00 0.00 C ATOM 140 O SER A 29 -0.627 21.975 -4.433 1.00 0.00 O ATOM 141 CB SER A 29 2.380 22.084 -3.837 1.00 0.00 C ATOM 142 OG SER A 29 3.409 21.122 -3.618 1.00 0.00 O ATOM 0 H SER A 29 0.897 19.888 -3.417 1.00 0.00 H new ATOM 0 HA SER A 29 1.441 22.397 -1.945 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.027 22.010 -4.866 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.788 23.087 -3.711 1.00 0.00 H new ATOM 0 HG SER A 29 4.142 21.278 -4.249 1.00 0.00 H new ATOM 148 N ASP A 30 -0.489 23.608 -2.874 1.00 0.00 N ATOM 149 CA ASP A 30 -1.683 24.298 -3.331 1.00 0.00 C ATOM 150 C ASP A 30 -1.487 25.807 -3.172 1.00 0.00 C ATOM 151 O ASP A 30 -0.684 26.249 -2.352 1.00 0.00 O ATOM 152 CB ASP A 30 -2.905 23.891 -2.504 1.00 0.00 C ATOM 153 CG ASP A 30 -4.256 24.229 -3.137 1.00 0.00 C ATOM 154 OD1 ASP A 30 -4.872 23.392 -3.813 1.00 0.00 O ATOM 155 OD2 ASP A 30 -4.680 25.426 -2.909 1.00 0.00 O ATOM 0 H ASP A 30 -0.024 24.043 -2.077 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.848 24.031 -4.375 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.863 22.816 -2.326 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.845 24.378 -1.531 1.00 0.00 H new ATOM 161 N GLY A 31 -2.234 26.556 -3.971 1.00 0.00 N ATOM 162 CA GLY A 31 -2.152 28.006 -3.929 1.00 0.00 C ATOM 163 C GLY A 31 -1.679 28.489 -2.557 1.00 0.00 C ATOM 164 O GLY A 31 -0.599 29.067 -2.437 1.00 0.00 O ATOM 0 H GLY A 31 -2.898 26.186 -4.651 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.465 28.357 -4.699 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.128 28.436 -4.153 1.00 0.00 H new ATOM 168 N SER A 32 -2.509 28.235 -1.557 1.00 0.00 N ATOM 169 CA SER A 32 -2.189 28.638 -0.198 1.00 0.00 C ATOM 170 C SER A 32 -2.170 27.413 0.720 1.00 0.00 C ATOM 171 O SER A 32 -1.830 27.521 1.897 1.00 0.00 O ATOM 172 CB SER A 32 -3.189 29.673 0.320 1.00 0.00 C ATOM 173 OG SER A 32 -2.545 30.873 0.742 1.00 0.00 O ATOM 0 H SER A 32 -3.403 27.755 -1.660 1.00 0.00 H new ATOM 0 HA SER A 32 -1.201 29.098 -0.202 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.910 29.905 -0.464 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.750 29.250 1.154 1.00 0.00 H new ATOM 0 HG SER A 32 -3.217 31.509 1.064 1.00 0.00 H new ATOM 179 N SER A 33 -2.539 26.278 0.146 1.00 0.00 N ATOM 180 CA SER A 33 -2.568 25.034 0.897 1.00 0.00 C ATOM 181 C SER A 33 -1.320 24.205 0.586 1.00 0.00 C ATOM 182 O SER A 33 -1.263 23.523 -0.436 1.00 0.00 O ATOM 183 CB SER A 33 -3.831 24.231 0.583 1.00 0.00 C ATOM 184 OG SER A 33 -3.533 22.884 0.226 1.00 0.00 O ATOM 0 H SER A 33 -2.821 26.193 -0.831 1.00 0.00 H new ATOM 0 HA SER A 33 -2.579 25.276 1.960 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.490 24.238 1.451 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.372 24.711 -0.233 1.00 0.00 H new ATOM 0 HG SER A 33 -3.526 22.326 1.032 1.00 0.00 H new ATOM 190 N GLU A 34 -0.352 24.291 1.486 1.00 0.00 N ATOM 191 CA GLU A 34 0.891 23.557 1.320 1.00 0.00 C ATOM 192 C GLU A 34 1.265 22.846 2.621 1.00 0.00 C ATOM 193 O GLU A 34 1.554 23.494 3.626 1.00 0.00 O ATOM 194 CB GLU A 34 2.018 24.484 0.858 1.00 0.00 C ATOM 195 CG GLU A 34 2.138 25.701 1.778 1.00 0.00 C ATOM 196 CD GLU A 34 2.012 27.003 0.984 1.00 0.00 C ATOM 197 OE1 GLU A 34 1.346 27.029 -0.062 1.00 0.00 O ATOM 198 OE2 GLU A 34 2.637 28.012 1.489 1.00 0.00 O ATOM 0 H GLU A 34 -0.403 24.858 2.333 1.00 0.00 H new ATOM 0 HA GLU A 34 0.745 22.804 0.546 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.961 23.938 0.846 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.827 24.813 -0.164 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.363 25.661 2.543 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.097 25.677 2.295 1.00 0.00 H new ATOM 206 N ILE A 35 1.248 21.522 2.561 1.00 0.00 N ATOM 207 CA ILE A 35 1.582 20.716 3.723 1.00 0.00 C ATOM 208 C ILE A 35 2.519 19.583 3.300 1.00 0.00 C ATOM 209 O ILE A 35 2.443 19.099 2.171 1.00 0.00 O ATOM 210 CB ILE A 35 0.310 20.233 4.423 1.00 0.00 C ATOM 211 CG1 ILE A 35 0.310 20.637 5.899 1.00 0.00 C ATOM 212 CG2 ILE A 35 0.123 18.725 4.242 1.00 0.00 C ATOM 213 CD1 ILE A 35 1.524 20.056 6.627 1.00 0.00 C ATOM 0 H ILE A 35 1.008 20.988 1.726 1.00 0.00 H new ATOM 0 HA ILE A 35 2.117 21.314 4.461 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.544 20.722 3.955 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.318 21.724 5.982 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.606 20.287 6.375 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.788 18.408 4.749 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.047 18.493 3.180 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.977 18.199 4.668 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.499 20.358 7.674 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.500 18.968 6.563 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.438 20.427 6.164 1.00 0.00 H new ATOM 225 N PHE A 36 3.381 19.193 4.227 1.00 0.00 N ATOM 226 CA PHE A 36 4.331 18.126 3.964 1.00 0.00 C ATOM 227 C PHE A 36 4.418 17.164 5.152 1.00 0.00 C ATOM 228 O PHE A 36 4.635 17.590 6.285 1.00 0.00 O ATOM 229 CB PHE A 36 5.696 18.784 3.755 1.00 0.00 C ATOM 230 CG PHE A 36 5.884 20.088 4.534 1.00 0.00 C ATOM 231 CD1 PHE A 36 6.389 20.059 5.796 1.00 0.00 C ATOM 232 CD2 PHE A 36 5.546 21.275 3.964 1.00 0.00 C ATOM 233 CE1 PHE A 36 6.564 21.269 6.519 1.00 0.00 C ATOM 234 CE2 PHE A 36 5.720 22.485 4.686 1.00 0.00 C ATOM 235 CZ PHE A 36 6.225 22.456 5.949 1.00 0.00 C ATOM 0 H PHE A 36 3.441 19.597 5.162 1.00 0.00 H new ATOM 0 HA PHE A 36 4.017 17.555 3.090 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.476 18.081 4.049 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.832 18.985 2.692 1.00 0.00 H new ATOM 0 HD1 PHE A 36 6.657 19.116 6.249 1.00 0.00 H new ATOM 0 HD2 PHE A 36 5.145 21.298 2.961 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.966 21.246 7.521 1.00 0.00 H new ATOM 0 HE2 PHE A 36 5.452 23.428 4.233 1.00 0.00 H new ATOM 0 HZ PHE A 36 6.357 23.376 6.499 1.00 0.00 H new ATOM 245 N PHE A 37 4.245 15.886 4.851 1.00 0.00 N ATOM 246 CA PHE A 37 4.301 14.860 5.879 1.00 0.00 C ATOM 247 C PHE A 37 4.717 13.512 5.287 1.00 0.00 C ATOM 248 O PHE A 37 4.621 13.305 4.078 1.00 0.00 O ATOM 249 CB PHE A 37 2.892 14.734 6.462 1.00 0.00 C ATOM 250 CG PHE A 37 2.603 15.710 7.605 1.00 0.00 C ATOM 251 CD1 PHE A 37 3.363 15.681 8.733 1.00 0.00 C ATOM 252 CD2 PHE A 37 1.585 16.605 7.493 1.00 0.00 C ATOM 253 CE1 PHE A 37 3.094 16.586 9.793 1.00 0.00 C ATOM 254 CE2 PHE A 37 1.316 17.510 8.554 1.00 0.00 C ATOM 255 CZ PHE A 37 2.076 17.482 9.681 1.00 0.00 C ATOM 0 H PHE A 37 4.066 15.537 3.910 1.00 0.00 H new ATOM 0 HA PHE A 37 5.033 15.134 6.638 1.00 0.00 H new ATOM 0 HB2 PHE A 37 2.165 14.896 5.667 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.748 13.715 6.822 1.00 0.00 H new ATOM 0 HD1 PHE A 37 4.171 14.970 8.822 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.981 16.627 6.598 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.697 16.563 10.688 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.508 18.221 8.466 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.872 18.171 10.487 1.00 0.00 H new ATOM 265 N LYS A 38 5.172 12.631 6.165 1.00 0.00 N ATOM 266 CA LYS A 38 5.603 11.309 5.745 1.00 0.00 C ATOM 267 C LYS A 38 4.510 10.291 6.077 1.00 0.00 C ATOM 268 O LYS A 38 3.922 10.336 7.156 1.00 0.00 O ATOM 269 CB LYS A 38 6.964 10.970 6.355 1.00 0.00 C ATOM 270 CG LYS A 38 8.099 11.621 5.560 1.00 0.00 C ATOM 271 CD LYS A 38 9.106 10.572 5.083 1.00 0.00 C ATOM 272 CE LYS A 38 10.443 11.222 4.721 1.00 0.00 C ATOM 273 NZ LYS A 38 11.569 10.415 5.242 1.00 0.00 N ATOM 0 H LYS A 38 5.252 12.807 7.167 1.00 0.00 H new ATOM 0 HA LYS A 38 5.748 11.281 4.665 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.998 11.311 7.390 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.100 9.889 6.371 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.688 12.153 4.702 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.605 12.360 6.181 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.259 9.828 5.864 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.706 10.046 4.216 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.526 11.317 3.638 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.488 12.230 5.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.469 10.870 4.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.497 10.345 6.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.534 9.462 4.828 1.00 0.00 H new ATOM 286 N ILE A 39 4.271 9.397 5.128 1.00 0.00 N ATOM 287 CA ILE A 39 3.259 8.370 5.306 1.00 0.00 C ATOM 288 C ILE A 39 3.804 7.031 4.805 1.00 0.00 C ATOM 289 O ILE A 39 4.859 6.983 4.175 1.00 0.00 O ATOM 290 CB ILE A 39 1.947 8.788 4.639 1.00 0.00 C ATOM 291 CG1 ILE A 39 1.546 10.204 5.058 1.00 0.00 C ATOM 292 CG2 ILE A 39 0.839 7.772 4.922 1.00 0.00 C ATOM 293 CD1 ILE A 39 1.766 11.197 3.915 1.00 0.00 C ATOM 0 H ILE A 39 4.761 9.363 4.234 1.00 0.00 H new ATOM 0 HA ILE A 39 3.026 8.245 6.363 1.00 0.00 H new ATOM 0 HB ILE A 39 2.102 8.802 3.560 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.498 10.215 5.358 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.129 10.509 5.927 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.082 8.094 4.436 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.132 6.796 4.534 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.676 7.701 5.997 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.473 12.196 4.239 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.819 11.201 3.634 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.163 10.903 3.056 1.00 0.00 H new ATOM 305 N LYS A 40 3.060 5.976 5.105 1.00 0.00 N ATOM 306 CA LYS A 40 3.455 4.640 4.693 1.00 0.00 C ATOM 307 C LYS A 40 2.645 4.230 3.462 1.00 0.00 C ATOM 308 O LYS A 40 1.930 3.229 3.490 1.00 0.00 O ATOM 309 CB LYS A 40 3.335 3.661 5.862 1.00 0.00 C ATOM 310 CG LYS A 40 4.489 2.656 5.857 1.00 0.00 C ATOM 311 CD LYS A 40 4.203 1.499 4.898 1.00 0.00 C ATOM 312 CE LYS A 40 4.005 0.189 5.663 1.00 0.00 C ATOM 313 NZ LYS A 40 2.741 -0.464 5.255 1.00 0.00 N ATOM 0 H LYS A 40 2.186 6.020 5.629 1.00 0.00 H new ATOM 0 HA LYS A 40 4.506 4.626 4.403 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.332 4.211 6.803 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.385 3.130 5.800 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.411 3.157 5.563 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.643 2.269 6.864 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.311 1.720 4.311 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.029 1.392 4.195 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.844 -0.480 5.473 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.990 0.386 6.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.622 -1.352 5.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.942 0.170 5.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.770 -0.669 4.236 1.00 0.00 H new ATOM 326 N LYS A 41 2.782 5.024 2.410 1.00 0.00 N ATOM 327 CA LYS A 41 2.072 4.757 1.172 1.00 0.00 C ATOM 328 C LYS A 41 2.513 5.763 0.107 1.00 0.00 C ATOM 329 O LYS A 41 2.490 6.970 0.342 1.00 0.00 O ATOM 330 CB LYS A 41 0.561 4.741 1.414 1.00 0.00 C ATOM 331 CG LYS A 41 0.011 3.314 1.356 1.00 0.00 C ATOM 332 CD LYS A 41 -1.445 3.306 0.888 1.00 0.00 C ATOM 333 CE LYS A 41 -2.404 3.330 2.079 1.00 0.00 C ATOM 334 NZ LYS A 41 -3.686 3.966 1.701 1.00 0.00 N ATOM 0 H LYS A 41 3.375 5.853 2.390 1.00 0.00 H new ATOM 0 HA LYS A 41 2.323 3.765 0.796 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.340 5.180 2.387 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.063 5.357 0.666 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.618 2.714 0.678 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.083 2.853 2.341 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.630 4.170 0.250 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.632 2.418 0.284 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.585 2.313 2.428 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.951 3.875 2.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.325 3.974 2.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.510 4.943 1.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.125 3.429 0.926 1.00 0.00 H new ATOM 347 N THR A 42 2.905 5.229 -1.040 1.00 0.00 N ATOM 348 CA THR A 42 3.352 6.065 -2.141 1.00 0.00 C ATOM 349 C THR A 42 2.155 6.549 -2.962 1.00 0.00 C ATOM 350 O THR A 42 2.106 7.708 -3.371 1.00 0.00 O ATOM 351 CB THR A 42 4.367 5.266 -2.960 1.00 0.00 C ATOM 352 OG1 THR A 42 4.358 5.898 -4.237 1.00 0.00 O ATOM 353 CG2 THR A 42 3.895 3.839 -3.248 1.00 0.00 C ATOM 0 H THR A 42 2.922 4.227 -1.231 1.00 0.00 H new ATOM 0 HA THR A 42 3.844 6.967 -1.778 1.00 0.00 H new ATOM 0 HB THR A 42 5.317 5.233 -2.427 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.241 5.809 -4.652 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.652 3.316 -3.832 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.734 3.312 -2.307 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.962 3.871 -3.810 1.00 0.00 H new ATOM 361 N THR A 43 1.219 5.636 -3.179 1.00 0.00 N ATOM 362 CA THR A 43 0.026 5.956 -3.944 1.00 0.00 C ATOM 363 C THR A 43 -0.381 7.413 -3.715 1.00 0.00 C ATOM 364 O THR A 43 -1.045 7.728 -2.729 1.00 0.00 O ATOM 365 CB THR A 43 -1.064 4.953 -3.561 1.00 0.00 C ATOM 366 OG1 THR A 43 -2.255 5.507 -4.113 1.00 0.00 O ATOM 367 CG2 THR A 43 -1.330 4.925 -2.054 1.00 0.00 C ATOM 0 H THR A 43 1.263 4.676 -2.839 1.00 0.00 H new ATOM 0 HA THR A 43 0.208 5.868 -5.015 1.00 0.00 H new ATOM 0 HB THR A 43 -0.776 3.957 -3.898 1.00 0.00 H new ATOM 0 HG1 THR A 43 -2.932 4.804 -4.201 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.112 4.197 -1.836 1.00 0.00 H new ATOM 0 HG22 THR A 43 -0.417 4.645 -1.528 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.651 5.913 -1.723 1.00 0.00 H new ATOM 375 N PRO A 44 0.046 8.285 -4.667 1.00 0.00 N ATOM 376 CA PRO A 44 -0.266 9.701 -4.579 1.00 0.00 C ATOM 377 C PRO A 44 -1.728 9.964 -4.944 1.00 0.00 C ATOM 378 O PRO A 44 -2.465 10.574 -4.171 1.00 0.00 O ATOM 379 CB PRO A 44 0.713 10.380 -5.522 1.00 0.00 C ATOM 380 CG PRO A 44 1.223 9.289 -6.449 1.00 0.00 C ATOM 381 CD PRO A 44 0.835 7.948 -5.849 1.00 0.00 C ATOM 0 HA PRO A 44 -0.160 10.093 -3.567 1.00 0.00 H new ATOM 0 HB2 PRO A 44 0.225 11.175 -6.086 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.533 10.838 -4.970 1.00 0.00 H new ATOM 0 HG2 PRO A 44 0.792 9.401 -7.444 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.305 9.358 -6.561 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.257 7.351 -6.554 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.716 7.363 -5.584 1.00 0.00 H new ATOM 389 N LEU A 45 -2.104 9.491 -6.123 1.00 0.00 N ATOM 390 CA LEU A 45 -3.465 9.667 -6.601 1.00 0.00 C ATOM 391 C LEU A 45 -4.436 9.519 -5.428 1.00 0.00 C ATOM 392 O LEU A 45 -5.208 10.431 -5.137 1.00 0.00 O ATOM 393 CB LEU A 45 -3.753 8.713 -7.762 1.00 0.00 C ATOM 394 CG LEU A 45 -3.669 7.220 -7.440 1.00 0.00 C ATOM 395 CD1 LEU A 45 -4.097 6.375 -8.641 1.00 0.00 C ATOM 396 CD2 LEU A 45 -2.271 6.844 -6.944 1.00 0.00 C ATOM 0 H LEU A 45 -1.490 8.986 -6.762 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.601 10.671 -7.003 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.752 8.927 -8.142 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.052 8.931 -8.568 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.367 7.006 -6.630 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.028 5.318 -8.385 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.126 6.617 -8.908 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.443 6.587 -9.487 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.238 5.777 -6.722 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.537 7.077 -7.715 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.041 7.410 -6.041 1.00 0.00 H new ATOM 408 N ARG A 46 -4.366 8.361 -4.786 1.00 0.00 N ATOM 409 CA ARG A 46 -5.230 8.082 -3.651 1.00 0.00 C ATOM 410 C ARG A 46 -4.789 8.899 -2.435 1.00 0.00 C ATOM 411 O ARG A 46 -5.624 9.392 -1.679 1.00 0.00 O ATOM 412 CB ARG A 46 -5.205 6.594 -3.294 1.00 0.00 C ATOM 413 CG ARG A 46 -5.847 5.754 -4.399 1.00 0.00 C ATOM 414 CD ARG A 46 -7.358 5.636 -4.190 1.00 0.00 C ATOM 415 NE ARG A 46 -7.957 4.824 -5.273 1.00 0.00 N ATOM 416 CZ ARG A 46 -8.079 3.480 -5.232 1.00 0.00 C ATOM 417 NH1 ARG A 46 -7.643 2.785 -4.160 1.00 0.00 N ATOM 418 NH2 ARG A 46 -8.630 2.856 -6.256 1.00 0.00 N ATOM 0 H ARG A 46 -3.725 7.606 -5.030 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.246 8.360 -3.930 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.176 6.271 -3.138 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.735 6.433 -2.355 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.645 6.207 -5.369 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.399 4.760 -4.412 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.565 5.177 -3.223 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.810 6.628 -4.175 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.299 5.310 -6.102 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.218 3.275 -3.373 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.739 1.770 -4.137 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.956 3.389 -7.062 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.730 1.841 -6.241 1.00 0.00 H new ATOM 431 N ARG A 47 -3.478 9.017 -2.285 1.00 0.00 N ATOM 432 CA ARG A 47 -2.916 9.766 -1.174 1.00 0.00 C ATOM 433 C ARG A 47 -3.469 11.193 -1.162 1.00 0.00 C ATOM 434 O ARG A 47 -4.393 11.498 -0.410 1.00 0.00 O ATOM 435 CB ARG A 47 -1.390 9.818 -1.260 1.00 0.00 C ATOM 436 CG ARG A 47 -0.754 8.725 -0.400 1.00 0.00 C ATOM 437 CD ARG A 47 -0.434 9.247 1.002 1.00 0.00 C ATOM 438 NE ARG A 47 -0.981 8.327 2.023 1.00 0.00 N ATOM 439 CZ ARG A 47 -2.227 8.419 2.535 1.00 0.00 C ATOM 440 NH1 ARG A 47 -3.066 9.393 2.124 1.00 0.00 N ATOM 441 NH2 ARG A 47 -2.613 7.541 3.443 1.00 0.00 N ATOM 0 H ARG A 47 -2.789 8.606 -2.915 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.199 9.255 -0.253 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.077 9.698 -2.297 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.037 10.795 -0.931 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.431 7.873 -0.329 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.159 8.368 -0.876 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.645 9.341 1.126 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.858 10.243 1.134 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.379 7.576 2.361 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.760 10.067 1.422 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.006 9.456 2.516 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.973 6.807 3.747 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.551 7.597 3.840 1.00 0.00 H new ATOM 454 N LEU A 48 -2.879 12.029 -2.004 1.00 0.00 N ATOM 455 CA LEU A 48 -3.301 13.416 -2.100 1.00 0.00 C ATOM 456 C LEU A 48 -4.828 13.485 -2.048 1.00 0.00 C ATOM 457 O LEU A 48 -5.392 14.370 -1.406 1.00 0.00 O ATOM 458 CB LEU A 48 -2.697 14.074 -3.342 1.00 0.00 C ATOM 459 CG LEU A 48 -1.979 15.406 -3.114 1.00 0.00 C ATOM 460 CD1 LEU A 48 -0.464 15.243 -3.255 1.00 0.00 C ATOM 461 CD2 LEU A 48 -2.528 16.491 -4.042 1.00 0.00 C ATOM 0 H LEU A 48 -2.112 11.772 -2.626 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.927 13.988 -1.251 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.991 13.376 -3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.494 14.233 -4.068 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.174 15.729 -2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.022 16.204 -3.088 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.106 14.523 -2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.228 14.886 -4.258 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.000 17.427 -3.859 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.384 16.190 -5.080 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.592 16.630 -3.849 1.00 0.00 H new ATOM 473 N MET A 49 -5.455 12.539 -2.732 1.00 0.00 N ATOM 474 CA MET A 49 -6.906 12.481 -2.772 1.00 0.00 C ATOM 475 C MET A 49 -7.507 12.842 -1.411 1.00 0.00 C ATOM 476 O MET A 49 -8.491 13.576 -1.338 1.00 0.00 O ATOM 477 CB MET A 49 -7.351 11.072 -3.168 1.00 0.00 C ATOM 478 CG MET A 49 -8.281 11.112 -4.382 1.00 0.00 C ATOM 479 SD MET A 49 -9.970 11.342 -3.850 1.00 0.00 S ATOM 480 CE MET A 49 -10.134 9.959 -2.734 1.00 0.00 C ATOM 0 H MET A 49 -4.984 11.806 -3.263 1.00 0.00 H new ATOM 0 HA MET A 49 -7.259 13.203 -3.508 1.00 0.00 H new ATOM 0 HB2 MET A 49 -6.477 10.461 -3.395 1.00 0.00 H new ATOM 0 HB3 MET A 49 -7.862 10.599 -2.329 1.00 0.00 H new ATOM 0 HG2 MET A 49 -7.987 11.923 -5.049 1.00 0.00 H new ATOM 0 HG3 MET A 49 -8.193 10.185 -4.949 1.00 0.00 H new ATOM 0 HE1 MET A 49 -11.148 9.564 -2.790 1.00 0.00 H new ATOM 0 HE2 MET A 49 -9.425 9.180 -3.014 1.00 0.00 H new ATOM 0 HE3 MET A 49 -9.928 10.287 -1.715 1.00 0.00 H new ATOM 490 N GLU A 50 -6.888 12.310 -0.367 1.00 0.00 N ATOM 491 CA GLU A 50 -7.350 12.567 0.986 1.00 0.00 C ATOM 492 C GLU A 50 -6.478 13.635 1.650 1.00 0.00 C ATOM 493 O GLU A 50 -6.992 14.616 2.184 1.00 0.00 O ATOM 494 CB GLU A 50 -7.365 11.280 1.814 1.00 0.00 C ATOM 495 CG GLU A 50 -8.604 11.219 2.710 1.00 0.00 C ATOM 496 CD GLU A 50 -8.349 10.345 3.940 1.00 0.00 C ATOM 497 OE1 GLU A 50 -8.757 9.174 3.964 1.00 0.00 O ATOM 498 OE2 GLU A 50 -7.700 10.923 4.893 1.00 0.00 O ATOM 0 H GLU A 50 -6.071 11.703 -0.431 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.373 12.940 0.935 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.349 10.416 1.150 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.465 11.227 2.427 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.879 12.225 3.025 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.447 10.821 2.145 1.00 0.00 H new ATOM 506 N ALA A 51 -5.174 13.407 1.595 1.00 0.00 N ATOM 507 CA ALA A 51 -4.226 14.337 2.185 1.00 0.00 C ATOM 508 C ALA A 51 -4.582 15.762 1.754 1.00 0.00 C ATOM 509 O ALA A 51 -4.951 16.591 2.584 1.00 0.00 O ATOM 510 CB ALA A 51 -2.805 13.944 1.779 1.00 0.00 C ATOM 0 H ALA A 51 -4.752 12.592 1.151 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.277 14.298 3.273 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.094 14.642 2.222 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.591 12.935 2.132 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.715 13.975 0.693 1.00 0.00 H new ATOM 516 N PHE A 52 -4.459 16.002 0.457 1.00 0.00 N ATOM 517 CA PHE A 52 -4.763 17.312 -0.094 1.00 0.00 C ATOM 518 C PHE A 52 -6.184 17.744 0.272 1.00 0.00 C ATOM 519 O PHE A 52 -6.509 18.929 0.220 1.00 0.00 O ATOM 520 CB PHE A 52 -4.654 17.194 -1.615 1.00 0.00 C ATOM 521 CG PHE A 52 -5.948 17.527 -2.359 1.00 0.00 C ATOM 522 CD1 PHE A 52 -6.438 18.796 -2.339 1.00 0.00 C ATOM 523 CD2 PHE A 52 -6.610 16.554 -3.041 1.00 0.00 C ATOM 524 CE1 PHE A 52 -7.639 19.105 -3.030 1.00 0.00 C ATOM 525 CE2 PHE A 52 -7.812 16.863 -3.732 1.00 0.00 C ATOM 526 CZ PHE A 52 -8.301 18.132 -3.712 1.00 0.00 C ATOM 0 H PHE A 52 -4.153 15.312 -0.229 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.072 18.054 0.307 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.864 17.859 -1.965 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.352 16.178 -1.870 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.913 19.569 -1.797 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.222 15.546 -3.057 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.027 20.113 -3.014 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.338 16.090 -4.273 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.215 18.367 -4.238 1.00 0.00 H new ATOM 536 N ALA A 53 -6.993 16.759 0.634 1.00 0.00 N ATOM 537 CA ALA A 53 -8.372 17.023 1.008 1.00 0.00 C ATOM 538 C ALA A 53 -8.475 17.112 2.532 1.00 0.00 C ATOM 539 O ALA A 53 -9.547 17.380 3.071 1.00 0.00 O ATOM 540 CB ALA A 53 -9.276 15.935 0.425 1.00 0.00 C ATOM 0 H ALA A 53 -6.720 15.777 0.676 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.705 17.977 0.599 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.311 16.133 0.705 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.189 15.933 -0.661 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.974 14.963 0.815 1.00 0.00 H new ATOM 546 N LYS A 54 -7.344 16.882 3.184 1.00 0.00 N ATOM 547 CA LYS A 54 -7.293 16.932 4.635 1.00 0.00 C ATOM 548 C LYS A 54 -6.728 18.284 5.074 1.00 0.00 C ATOM 549 O LYS A 54 -6.987 18.737 6.188 1.00 0.00 O ATOM 550 CB LYS A 54 -6.518 15.734 5.186 1.00 0.00 C ATOM 551 CG LYS A 54 -7.389 14.476 5.200 1.00 0.00 C ATOM 552 CD LYS A 54 -8.558 14.630 6.175 1.00 0.00 C ATOM 553 CE LYS A 54 -8.970 13.275 6.755 1.00 0.00 C ATOM 554 NZ LYS A 54 -9.796 13.461 7.969 1.00 0.00 N ATOM 0 H LYS A 54 -6.456 16.661 2.733 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.296 16.853 5.054 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.631 15.559 4.577 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.173 15.953 6.197 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.770 14.282 4.197 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.785 13.614 5.484 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.276 15.305 6.983 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.406 15.083 5.663 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.530 12.709 6.010 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.082 12.691 6.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.067 12.532 8.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.250 13.983 8.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.652 13.999 7.727 1.00 0.00 H new ATOM 567 N ARG A 55 -5.966 18.892 4.176 1.00 0.00 N ATOM 568 CA ARG A 55 -5.363 20.183 4.457 1.00 0.00 C ATOM 569 C ARG A 55 -6.169 21.301 3.794 1.00 0.00 C ATOM 570 O ARG A 55 -6.469 22.314 4.425 1.00 0.00 O ATOM 571 CB ARG A 55 -3.919 20.237 3.954 1.00 0.00 C ATOM 572 CG ARG A 55 -2.969 20.698 5.062 1.00 0.00 C ATOM 573 CD ARG A 55 -2.594 22.171 4.885 1.00 0.00 C ATOM 574 NE ARG A 55 -3.450 23.018 5.745 1.00 0.00 N ATOM 575 CZ ARG A 55 -3.312 24.355 5.867 1.00 0.00 C ATOM 576 NH1 ARG A 55 -2.349 25.010 5.184 1.00 0.00 N ATOM 577 NH2 ARG A 55 -4.133 25.013 6.665 1.00 0.00 N ATOM 0 H ARG A 55 -5.753 18.514 3.253 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.365 20.322 5.538 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.617 19.252 3.598 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.851 20.918 3.105 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -3.441 20.553 6.034 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -2.067 20.086 5.051 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -1.545 22.321 5.141 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -2.712 22.462 3.841 1.00 0.00 H new ATOM 0 HE ARG A 55 -4.191 22.563 6.279 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.719 24.494 4.570 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.252 26.021 5.282 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.858 24.511 7.178 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.042 26.024 6.769 1.00 0.00 H new ATOM 590 N GLN A 56 -6.496 21.081 2.529 1.00 0.00 N ATOM 591 CA GLN A 56 -7.261 22.058 1.773 1.00 0.00 C ATOM 592 C GLN A 56 -8.733 21.644 1.708 1.00 0.00 C ATOM 593 O GLN A 56 -9.623 22.492 1.759 1.00 0.00 O ATOM 594 CB GLN A 56 -6.681 22.242 0.369 1.00 0.00 C ATOM 595 CG GLN A 56 -7.180 23.542 -0.264 1.00 0.00 C ATOM 596 CD GLN A 56 -8.698 23.513 -0.453 1.00 0.00 C ATOM 597 OE1 GLN A 56 -9.282 22.518 -0.849 1.00 0.00 O ATOM 598 NE2 GLN A 56 -9.303 24.657 -0.146 1.00 0.00 N ATOM 0 H GLN A 56 -6.245 20.240 2.009 1.00 0.00 H new ATOM 0 HA GLN A 56 -7.195 23.018 2.286 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.592 22.253 0.420 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.963 21.396 -0.258 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.905 24.387 0.367 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.693 23.692 -1.228 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -8.754 25.453 0.180 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -10.316 24.739 -0.237 1.00 0.00 H new ATOM 607 N GLY A 57 -8.944 20.341 1.596 1.00 0.00 N ATOM 608 CA GLY A 57 -10.292 19.804 1.523 1.00 0.00 C ATOM 609 C GLY A 57 -11.124 20.246 2.729 1.00 0.00 C ATOM 610 O GLY A 57 -12.352 20.177 2.700 1.00 0.00 O ATOM 0 H GLY A 57 -8.203 19.641 1.554 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -10.772 20.139 0.603 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.252 18.715 1.483 1.00 0.00 H new ATOM 614 N LYS A 58 -10.421 20.691 3.761 1.00 0.00 N ATOM 615 CA LYS A 58 -11.079 21.145 4.974 1.00 0.00 C ATOM 616 C LYS A 58 -12.063 22.264 4.628 1.00 0.00 C ATOM 617 O LYS A 58 -13.113 22.389 5.257 1.00 0.00 O ATOM 618 CB LYS A 58 -10.044 21.540 6.029 1.00 0.00 C ATOM 619 CG LYS A 58 -10.589 21.320 7.442 1.00 0.00 C ATOM 620 CD LYS A 58 -9.684 21.975 8.487 1.00 0.00 C ATOM 621 CE LYS A 58 -8.374 21.200 8.641 1.00 0.00 C ATOM 622 NZ LYS A 58 -7.986 21.117 10.067 1.00 0.00 N ATOM 0 H LYS A 58 -9.403 20.747 3.782 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.660 20.336 5.418 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.136 20.953 5.890 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.770 22.587 5.900 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.595 21.734 7.516 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.668 20.252 7.643 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.470 23.003 8.195 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.201 22.017 9.446 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.487 20.197 8.230 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.585 21.691 8.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.095 20.588 10.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.858 22.076 10.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.732 20.629 10.602 1.00 0.00 H new ATOM 635 N GLU A 59 -11.689 23.049 3.629 1.00 0.00 N ATOM 636 CA GLU A 59 -12.526 24.154 3.192 1.00 0.00 C ATOM 637 C GLU A 59 -13.423 23.714 2.034 1.00 0.00 C ATOM 638 O GLU A 59 -14.379 24.406 1.687 1.00 0.00 O ATOM 639 CB GLU A 59 -11.675 25.363 2.797 1.00 0.00 C ATOM 640 CG GLU A 59 -12.176 26.634 3.486 1.00 0.00 C ATOM 641 CD GLU A 59 -12.003 27.854 2.578 1.00 0.00 C ATOM 642 OE1 GLU A 59 -11.106 27.867 1.722 1.00 0.00 O ATOM 643 OE2 GLU A 59 -12.841 28.812 2.786 1.00 0.00 O ATOM 0 H GLU A 59 -10.818 22.942 3.109 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.162 24.455 4.025 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.634 25.184 3.068 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.705 25.495 1.715 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.227 26.519 3.750 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.629 26.788 4.416 1.00 0.00 H new ATOM 651 N MET A 60 -13.084 22.565 1.468 1.00 0.00 N ATOM 652 CA MET A 60 -13.848 22.024 0.356 1.00 0.00 C ATOM 653 C MET A 60 -14.120 23.100 -0.697 1.00 0.00 C ATOM 654 O MET A 60 -15.130 23.048 -1.397 1.00 0.00 O ATOM 655 CB MET A 60 -15.177 21.467 0.872 1.00 0.00 C ATOM 656 CG MET A 60 -15.080 19.961 1.120 1.00 0.00 C ATOM 657 SD MET A 60 -15.680 19.571 2.755 1.00 0.00 S ATOM 658 CE MET A 60 -14.597 18.213 3.167 1.00 0.00 C ATOM 0 H MET A 60 -12.291 21.994 1.758 1.00 0.00 H new ATOM 0 HA MET A 60 -13.265 21.228 -0.107 1.00 0.00 H new ATOM 0 HB2 MET A 60 -15.454 21.974 1.796 1.00 0.00 H new ATOM 0 HB3 MET A 60 -15.966 21.670 0.148 1.00 0.00 H new ATOM 0 HG2 MET A 60 -15.662 19.423 0.372 1.00 0.00 H new ATOM 0 HG3 MET A 60 -14.046 19.633 1.015 1.00 0.00 H new ATOM 0 HE1 MET A 60 -15.186 17.385 3.561 1.00 0.00 H new ATOM 0 HE2 MET A 60 -14.066 17.887 2.273 1.00 0.00 H new ATOM 0 HE3 MET A 60 -13.877 18.537 3.919 1.00 0.00 H new ATOM 668 N ASP A 61 -13.200 24.050 -0.777 1.00 0.00 N ATOM 669 CA ASP A 61 -13.327 25.137 -1.733 1.00 0.00 C ATOM 670 C ASP A 61 -12.446 24.846 -2.950 1.00 0.00 C ATOM 671 O ASP A 61 -12.538 25.533 -3.966 1.00 0.00 O ATOM 672 CB ASP A 61 -12.869 26.463 -1.124 1.00 0.00 C ATOM 673 CG ASP A 61 -13.938 27.214 -0.329 1.00 0.00 C ATOM 674 OD1 ASP A 61 -14.253 28.377 -0.620 1.00 0.00 O ATOM 675 OD2 ASP A 61 -14.465 26.546 0.641 1.00 0.00 O ATOM 0 H ASP A 61 -12.363 24.090 -0.195 1.00 0.00 H new ATOM 0 HA ASP A 61 -14.376 25.215 -2.017 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.019 26.270 -0.469 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.513 27.110 -1.926 1.00 0.00 H new ATOM 681 N SER A 62 -11.613 23.826 -2.807 1.00 0.00 N ATOM 682 CA SER A 62 -10.717 23.435 -3.882 1.00 0.00 C ATOM 683 C SER A 62 -10.909 21.953 -4.211 1.00 0.00 C ATOM 684 O SER A 62 -10.862 21.105 -3.322 1.00 0.00 O ATOM 685 CB SER A 62 -9.258 23.711 -3.510 1.00 0.00 C ATOM 686 OG SER A 62 -8.564 22.520 -3.149 1.00 0.00 O ATOM 0 H SER A 62 -11.540 23.258 -1.963 1.00 0.00 H new ATOM 0 HA SER A 62 -10.959 24.030 -4.762 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.753 24.184 -4.352 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.223 24.417 -2.680 1.00 0.00 H new ATOM 0 HG SER A 62 -8.989 22.120 -2.362 1.00 0.00 H new ATOM 692 N LEU A 63 -11.120 21.687 -5.492 1.00 0.00 N ATOM 693 CA LEU A 63 -11.320 20.323 -5.950 1.00 0.00 C ATOM 694 C LEU A 63 -10.690 20.157 -7.334 1.00 0.00 C ATOM 695 O LEU A 63 -11.257 19.495 -8.202 1.00 0.00 O ATOM 696 CB LEU A 63 -12.804 19.953 -5.900 1.00 0.00 C ATOM 697 CG LEU A 63 -13.777 21.111 -5.670 1.00 0.00 C ATOM 698 CD1 LEU A 63 -15.158 20.789 -6.244 1.00 0.00 C ATOM 699 CD2 LEU A 63 -13.844 21.484 -4.188 1.00 0.00 C ATOM 0 H LEU A 63 -11.157 22.393 -6.227 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.818 19.620 -5.285 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -13.068 19.464 -6.838 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.949 19.220 -5.106 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.402 21.984 -6.205 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -15.830 21.628 -6.067 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -15.074 20.611 -7.316 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -15.555 19.898 -5.758 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -14.543 22.310 -4.052 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -14.183 20.623 -3.611 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.855 21.785 -3.844 1.00 0.00 H new ATOM 711 N ARG A 64 -9.527 20.769 -7.497 1.00 0.00 N ATOM 712 CA ARG A 64 -8.814 20.698 -8.761 1.00 0.00 C ATOM 713 C ARG A 64 -7.409 20.130 -8.547 1.00 0.00 C ATOM 714 O ARG A 64 -6.442 20.882 -8.438 1.00 0.00 O ATOM 715 CB ARG A 64 -8.705 22.079 -9.411 1.00 0.00 C ATOM 716 CG ARG A 64 -8.056 21.984 -10.793 1.00 0.00 C ATOM 717 CD ARG A 64 -8.309 23.256 -11.606 1.00 0.00 C ATOM 718 NE ARG A 64 -7.342 23.344 -12.722 1.00 0.00 N ATOM 719 CZ ARG A 64 -7.485 22.701 -13.901 1.00 0.00 C ATOM 720 NH1 ARG A 64 -8.560 21.916 -14.126 1.00 0.00 N ATOM 721 NH2 ARG A 64 -6.559 22.852 -14.829 1.00 0.00 N ATOM 0 H ARG A 64 -9.060 21.317 -6.774 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.378 20.041 -9.423 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.697 22.522 -9.501 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.117 22.740 -8.774 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.983 21.825 -10.685 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.454 21.121 -11.327 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.327 23.252 -11.996 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.217 24.132 -10.964 1.00 0.00 H new ATOM 0 HE ARG A 64 -6.515 23.927 -12.593 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.271 21.805 -13.403 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.661 21.434 -15.019 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.750 23.447 -14.650 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.652 22.373 -15.725 1.00 0.00 H new ATOM 734 N PHE A 65 -7.342 18.808 -8.493 1.00 0.00 N ATOM 735 CA PHE A 65 -6.072 18.130 -8.294 1.00 0.00 C ATOM 736 C PHE A 65 -5.359 17.900 -9.628 1.00 0.00 C ATOM 737 O PHE A 65 -5.879 17.209 -10.503 1.00 0.00 O ATOM 738 CB PHE A 65 -6.383 16.776 -7.655 1.00 0.00 C ATOM 739 CG PHE A 65 -7.029 15.770 -8.610 1.00 0.00 C ATOM 740 CD1 PHE A 65 -6.248 14.957 -9.371 1.00 0.00 C ATOM 741 CD2 PHE A 65 -8.383 15.689 -8.698 1.00 0.00 C ATOM 742 CE1 PHE A 65 -6.847 14.024 -10.257 1.00 0.00 C ATOM 743 CE2 PHE A 65 -8.982 14.755 -9.585 1.00 0.00 C ATOM 744 CZ PHE A 65 -8.202 13.942 -10.346 1.00 0.00 C ATOM 0 H PHE A 65 -8.147 18.188 -8.584 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.421 18.736 -7.664 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.459 16.349 -7.265 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.046 16.931 -6.804 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.172 15.021 -9.301 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.003 16.335 -8.094 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.227 13.379 -10.861 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.058 14.691 -9.655 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.658 13.232 -11.020 1.00 0.00 H new ATOM 754 N LEU A 66 -4.179 18.491 -9.742 1.00 0.00 N ATOM 755 CA LEU A 66 -3.389 18.358 -10.954 1.00 0.00 C ATOM 756 C LEU A 66 -1.918 18.628 -10.631 1.00 0.00 C ATOM 757 O LEU A 66 -1.608 19.316 -9.660 1.00 0.00 O ATOM 758 CB LEU A 66 -3.950 19.254 -12.060 1.00 0.00 C ATOM 759 CG LEU A 66 -3.481 20.711 -12.046 1.00 0.00 C ATOM 760 CD1 LEU A 66 -2.025 20.822 -12.504 1.00 0.00 C ATOM 761 CD2 LEU A 66 -4.413 21.595 -12.877 1.00 0.00 C ATOM 0 H LEU A 66 -3.751 19.063 -9.015 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.450 17.340 -11.339 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.686 18.817 -13.023 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.038 19.243 -11.993 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.524 21.075 -11.019 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.716 21.867 -12.485 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.388 20.243 -11.835 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.932 20.435 -13.519 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.057 22.625 -12.850 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.426 21.242 -13.908 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.421 21.549 -12.465 1.00 0.00 H new ATOM 773 N TYR A 67 -1.051 18.072 -11.465 1.00 0.00 N ATOM 774 CA TYR A 67 0.380 18.244 -11.280 1.00 0.00 C ATOM 775 C TYR A 67 0.931 19.311 -12.228 1.00 0.00 C ATOM 776 O TYR A 67 1.757 20.132 -11.832 1.00 0.00 O ATOM 777 CB TYR A 67 1.015 16.895 -11.625 1.00 0.00 C ATOM 778 CG TYR A 67 2.543 16.889 -11.548 1.00 0.00 C ATOM 779 CD1 TYR A 67 3.184 17.523 -10.503 1.00 0.00 C ATOM 780 CD2 TYR A 67 3.281 16.249 -12.523 1.00 0.00 C ATOM 781 CE1 TYR A 67 4.622 17.517 -10.430 1.00 0.00 C ATOM 782 CE2 TYR A 67 4.719 16.243 -12.450 1.00 0.00 C ATOM 783 CZ TYR A 67 5.318 16.877 -11.408 1.00 0.00 C ATOM 784 OH TYR A 67 6.677 16.871 -11.339 1.00 0.00 O ATOM 0 H TYR A 67 -1.312 17.502 -12.270 1.00 0.00 H new ATOM 0 HA TYR A 67 0.600 18.561 -10.261 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.624 16.137 -10.946 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.711 16.609 -12.632 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.607 18.024 -9.740 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.780 15.753 -13.341 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.136 18.009 -9.618 1.00 0.00 H new ATOM 0 HE2 TYR A 67 5.308 15.746 -13.206 1.00 0.00 H new ATOM 0 HH TYR A 67 7.041 16.376 -12.103 1.00 0.00 H new ATOM 794 N ASP A 68 0.451 19.265 -13.463 1.00 0.00 N ATOM 795 CA ASP A 68 0.886 20.217 -14.470 1.00 0.00 C ATOM 796 C ASP A 68 -0.267 21.170 -14.795 1.00 0.00 C ATOM 797 O ASP A 68 -0.265 22.322 -14.363 1.00 0.00 O ATOM 798 CB ASP A 68 1.289 19.506 -15.763 1.00 0.00 C ATOM 799 CG ASP A 68 2.730 18.994 -15.797 1.00 0.00 C ATOM 800 OD1 ASP A 68 2.987 17.795 -15.612 1.00 0.00 O ATOM 801 OD2 ASP A 68 3.624 19.895 -16.028 1.00 0.00 O ATOM 0 H ASP A 68 -0.235 18.583 -13.788 1.00 0.00 H new ATOM 0 HA ASP A 68 1.745 20.759 -14.074 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.616 18.663 -15.921 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.143 20.192 -16.598 1.00 0.00 H new ATOM 807 N GLY A 69 -1.223 20.655 -15.553 1.00 0.00 N ATOM 808 CA GLY A 69 -2.379 21.446 -15.941 1.00 0.00 C ATOM 809 C GLY A 69 -3.411 20.586 -16.673 1.00 0.00 C ATOM 810 O GLY A 69 -4.109 21.070 -17.563 1.00 0.00 O ATOM 0 H GLY A 69 -1.221 19.699 -15.909 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.833 21.891 -15.056 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.063 22.267 -16.584 1.00 0.00 H new ATOM 814 N ILE A 70 -3.476 19.325 -16.271 1.00 0.00 N ATOM 815 CA ILE A 70 -4.411 18.393 -16.878 1.00 0.00 C ATOM 816 C ILE A 70 -4.779 17.311 -15.860 1.00 0.00 C ATOM 817 O ILE A 70 -4.745 16.122 -16.173 1.00 0.00 O ATOM 818 CB ILE A 70 -3.842 17.839 -18.186 1.00 0.00 C ATOM 819 CG1 ILE A 70 -2.672 16.890 -17.917 1.00 0.00 C ATOM 820 CG2 ILE A 70 -3.455 18.971 -19.139 1.00 0.00 C ATOM 821 CD1 ILE A 70 -1.339 17.639 -17.958 1.00 0.00 C ATOM 0 H ILE A 70 -2.896 18.927 -15.532 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.335 18.903 -17.150 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.621 17.257 -18.678 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.798 16.418 -16.943 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.668 16.092 -18.660 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.054 18.550 -20.061 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.336 19.571 -19.368 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.700 19.600 -18.669 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.524 16.942 -17.764 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.205 18.089 -18.942 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.337 18.420 -17.198 1.00 0.00 H new ATOM 833 N ARG A 71 -5.123 17.763 -14.663 1.00 0.00 N ATOM 834 CA ARG A 71 -5.497 16.849 -13.597 1.00 0.00 C ATOM 835 C ARG A 71 -4.605 15.606 -13.627 1.00 0.00 C ATOM 836 O ARG A 71 -5.098 14.487 -13.757 1.00 0.00 O ATOM 837 CB ARG A 71 -6.960 16.421 -13.727 1.00 0.00 C ATOM 838 CG ARG A 71 -7.208 15.712 -15.060 1.00 0.00 C ATOM 839 CD ARG A 71 -7.558 16.717 -16.159 1.00 0.00 C ATOM 840 NE ARG A 71 -7.069 16.227 -17.467 1.00 0.00 N ATOM 841 CZ ARG A 71 -7.678 15.262 -18.189 1.00 0.00 C ATOM 842 NH1 ARG A 71 -8.806 14.676 -17.736 1.00 0.00 N ATOM 843 NH2 ARG A 71 -7.154 14.902 -19.346 1.00 0.00 N ATOM 0 H ARG A 71 -5.151 18.750 -14.408 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.366 17.372 -12.650 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.223 15.757 -12.904 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.606 17.295 -13.650 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.320 15.149 -15.347 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.019 14.993 -14.948 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.637 16.865 -16.197 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.111 17.685 -15.934 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.219 16.644 -17.847 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.205 14.961 -16.842 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.259 13.948 -18.288 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.302 15.351 -19.682 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.601 14.175 -19.904 1.00 0.00 H new ATOM 856 N ILE A 72 -3.308 15.844 -13.503 1.00 0.00 N ATOM 857 CA ILE A 72 -2.343 14.758 -13.514 1.00 0.00 C ATOM 858 C ILE A 72 -1.610 14.720 -12.171 1.00 0.00 C ATOM 859 O ILE A 72 -1.675 15.673 -11.397 1.00 0.00 O ATOM 860 CB ILE A 72 -1.410 14.882 -14.720 1.00 0.00 C ATOM 861 CG1 ILE A 72 -0.889 16.313 -14.866 1.00 0.00 C ATOM 862 CG2 ILE A 72 -2.095 14.390 -15.996 1.00 0.00 C ATOM 863 CD1 ILE A 72 0.620 16.324 -15.121 1.00 0.00 C ATOM 0 H ILE A 72 -2.902 16.774 -13.394 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.849 13.800 -13.629 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.546 14.240 -14.550 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.404 16.809 -15.689 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.113 16.879 -13.962 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.410 14.489 -16.838 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.376 13.343 -15.878 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.988 14.986 -16.183 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.965 17.353 -15.221 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.134 15.849 -14.285 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.838 15.778 -16.039 1.00 0.00 H new ATOM 875 N GLN A 73 -0.929 13.608 -11.937 1.00 0.00 N ATOM 876 CA GLN A 73 -0.185 13.432 -10.701 1.00 0.00 C ATOM 877 C GLN A 73 1.188 12.822 -10.991 1.00 0.00 C ATOM 878 O GLN A 73 1.540 12.596 -12.148 1.00 0.00 O ATOM 879 CB GLN A 73 -0.968 12.573 -9.707 1.00 0.00 C ATOM 880 CG GLN A 73 -2.267 13.264 -9.289 1.00 0.00 C ATOM 881 CD GLN A 73 -3.478 12.596 -9.943 1.00 0.00 C ATOM 882 OE1 GLN A 73 -3.599 12.520 -11.154 1.00 0.00 O ATOM 883 NE2 GLN A 73 -4.366 12.118 -9.076 1.00 0.00 N ATOM 0 H GLN A 73 -0.877 12.820 -12.582 1.00 0.00 H new ATOM 0 HA GLN A 73 -0.037 14.411 -10.246 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.195 11.606 -10.156 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -0.355 12.380 -8.827 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.369 13.229 -8.204 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.231 14.316 -9.572 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -4.203 12.215 -8.074 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -5.210 11.654 -9.413 1.00 0.00 H new ATOM 892 N ALA A 74 1.928 12.574 -9.920 1.00 0.00 N ATOM 893 CA ALA A 74 3.255 11.995 -10.045 1.00 0.00 C ATOM 894 C ALA A 74 3.130 10.483 -10.243 1.00 0.00 C ATOM 895 O ALA A 74 3.016 10.009 -11.372 1.00 0.00 O ATOM 896 CB ALA A 74 4.087 12.355 -8.812 1.00 0.00 C ATOM 0 H ALA A 74 1.634 12.763 -8.962 1.00 0.00 H new ATOM 0 HA ALA A 74 3.770 12.400 -10.916 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.082 11.921 -8.905 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.170 13.439 -8.733 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.602 11.962 -7.918 1.00 0.00 H new ATOM 902 N ASP A 75 3.156 9.768 -9.127 1.00 0.00 N ATOM 903 CA ASP A 75 3.047 8.320 -9.164 1.00 0.00 C ATOM 904 C ASP A 75 1.570 7.925 -9.236 1.00 0.00 C ATOM 905 O ASP A 75 1.118 7.061 -8.487 1.00 0.00 O ATOM 906 CB ASP A 75 3.643 7.690 -7.904 1.00 0.00 C ATOM 907 CG ASP A 75 4.723 8.525 -7.213 1.00 0.00 C ATOM 908 OD1 ASP A 75 4.620 9.758 -7.126 1.00 0.00 O ATOM 909 OD2 ASP A 75 5.719 7.850 -6.746 1.00 0.00 O ATOM 0 H ASP A 75 3.251 10.165 -8.192 1.00 0.00 H new ATOM 0 HA ASP A 75 3.592 7.964 -10.038 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.838 7.504 -7.193 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.067 6.720 -8.166 1.00 0.00 H new ATOM 915 N GLN A 76 0.860 8.577 -10.145 1.00 0.00 N ATOM 916 CA GLN A 76 -0.556 8.305 -10.325 1.00 0.00 C ATOM 917 C GLN A 76 -0.765 6.859 -10.778 1.00 0.00 C ATOM 918 O GLN A 76 -1.895 6.376 -10.824 1.00 0.00 O ATOM 919 CB GLN A 76 -1.180 9.287 -11.319 1.00 0.00 C ATOM 920 CG GLN A 76 -2.649 9.550 -10.979 1.00 0.00 C ATOM 921 CD GLN A 76 -3.441 9.930 -12.232 1.00 0.00 C ATOM 922 OE1 GLN A 76 -3.182 10.929 -12.882 1.00 0.00 O ATOM 923 NE2 GLN A 76 -4.420 9.081 -12.532 1.00 0.00 N ATOM 0 H GLN A 76 1.239 9.293 -10.765 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.057 8.441 -9.367 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.626 10.226 -11.305 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -1.103 8.886 -12.330 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -3.086 8.661 -10.524 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -2.718 10.351 -10.243 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.583 8.263 -11.945 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.007 9.248 -13.349 1.00 0.00 H new ATOM 932 N THR A 77 0.343 6.207 -11.102 1.00 0.00 N ATOM 933 CA THR A 77 0.295 4.826 -11.550 1.00 0.00 C ATOM 934 C THR A 77 0.751 3.887 -10.431 1.00 0.00 C ATOM 935 O THR A 77 1.610 4.244 -9.627 1.00 0.00 O ATOM 936 CB THR A 77 1.138 4.712 -12.821 1.00 0.00 C ATOM 937 OG1 THR A 77 0.842 5.904 -13.542 1.00 0.00 O ATOM 938 CG2 THR A 77 0.658 3.589 -13.743 1.00 0.00 C ATOM 0 H THR A 77 1.279 6.610 -11.063 1.00 0.00 H new ATOM 0 HA THR A 77 -0.724 4.523 -11.791 1.00 0.00 H new ATOM 0 HB THR A 77 2.180 4.539 -12.551 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.349 5.913 -14.381 1.00 0.00 H new ATOM 0 HG21 THR A 77 1.290 3.551 -14.630 1.00 0.00 H new ATOM 0 HG22 THR A 77 0.715 2.636 -13.216 1.00 0.00 H new ATOM 0 HG23 THR A 77 -0.373 3.778 -14.040 1.00 0.00 H new ATOM 946 N PRO A 78 0.140 2.672 -10.416 1.00 0.00 N ATOM 947 CA PRO A 78 0.474 1.679 -9.410 1.00 0.00 C ATOM 948 C PRO A 78 1.828 1.032 -9.706 1.00 0.00 C ATOM 949 O PRO A 78 2.418 0.391 -8.838 1.00 0.00 O ATOM 950 CB PRO A 78 -0.677 0.687 -9.438 1.00 0.00 C ATOM 951 CG PRO A 78 -1.379 0.900 -10.770 1.00 0.00 C ATOM 952 CD PRO A 78 -0.882 2.214 -11.352 1.00 0.00 C ATOM 0 HA PRO A 78 0.586 2.110 -8.415 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.313 -0.336 -9.348 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.359 0.857 -8.605 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -1.166 0.076 -11.450 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -2.460 0.928 -10.632 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.469 2.073 -12.351 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.691 2.939 -11.440 1.00 0.00 H new ATOM 960 N GLU A 79 2.282 1.222 -10.937 1.00 0.00 N ATOM 961 CA GLU A 79 3.556 0.665 -11.359 1.00 0.00 C ATOM 962 C GLU A 79 4.684 1.666 -11.102 1.00 0.00 C ATOM 963 O GLU A 79 5.850 1.284 -11.012 1.00 0.00 O ATOM 964 CB GLU A 79 3.513 0.254 -12.832 1.00 0.00 C ATOM 965 CG GLU A 79 3.551 -1.269 -12.977 1.00 0.00 C ATOM 966 CD GLU A 79 3.401 -1.684 -14.442 1.00 0.00 C ATOM 967 OE1 GLU A 79 2.322 -2.137 -14.851 1.00 0.00 O ATOM 968 OE2 GLU A 79 4.457 -1.521 -15.165 1.00 0.00 O ATOM 0 H GLU A 79 1.790 1.754 -11.655 1.00 0.00 H new ATOM 0 HA GLU A 79 3.751 -0.232 -10.771 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.607 0.645 -13.296 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.358 0.695 -13.361 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.492 -1.652 -12.581 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.751 -1.714 -12.385 1.00 0.00 H new ATOM 976 N ASP A 80 4.298 2.929 -10.991 1.00 0.00 N ATOM 977 CA ASP A 80 5.263 3.988 -10.746 1.00 0.00 C ATOM 978 C ASP A 80 5.490 4.127 -9.240 1.00 0.00 C ATOM 979 O ASP A 80 6.623 4.290 -8.791 1.00 0.00 O ATOM 980 CB ASP A 80 4.752 5.330 -11.273 1.00 0.00 C ATOM 981 CG ASP A 80 5.754 6.483 -11.183 1.00 0.00 C ATOM 982 OD1 ASP A 80 6.346 6.733 -10.122 1.00 0.00 O ATOM 983 OD2 ASP A 80 5.919 7.149 -12.276 1.00 0.00 O ATOM 0 H ASP A 80 3.330 3.243 -11.066 1.00 0.00 H new ATOM 0 HA ASP A 80 6.188 3.727 -11.260 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.456 5.206 -12.315 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.855 5.604 -10.718 1.00 0.00 H new ATOM 989 N LEU A 81 4.393 4.057 -8.499 1.00 0.00 N ATOM 990 CA LEU A 81 4.458 4.173 -7.052 1.00 0.00 C ATOM 991 C LEU A 81 5.247 2.990 -6.485 1.00 0.00 C ATOM 992 O LEU A 81 6.017 3.150 -5.540 1.00 0.00 O ATOM 993 CB LEU A 81 3.054 4.315 -6.462 1.00 0.00 C ATOM 994 CG LEU A 81 2.155 3.081 -6.566 1.00 0.00 C ATOM 995 CD1 LEU A 81 2.413 2.116 -5.407 1.00 0.00 C ATOM 996 CD2 LEU A 81 0.681 3.482 -6.660 1.00 0.00 C ATOM 0 H LEU A 81 3.454 3.921 -8.874 1.00 0.00 H new ATOM 0 HA LEU A 81 4.992 5.079 -6.766 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.149 4.583 -5.410 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.555 5.147 -6.959 1.00 0.00 H new ATOM 0 HG LEU A 81 2.404 2.554 -7.487 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.761 1.248 -5.505 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.454 1.793 -5.427 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.208 2.619 -4.462 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.064 2.586 -6.733 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.400 4.045 -5.770 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.528 4.101 -7.544 1.00 0.00 H new ATOM 1008 N ASP A 82 5.026 1.830 -7.087 1.00 0.00 N ATOM 1009 CA ASP A 82 5.707 0.622 -6.653 1.00 0.00 C ATOM 1010 C ASP A 82 7.200 0.744 -6.961 1.00 0.00 C ATOM 1011 O ASP A 82 8.018 0.035 -6.378 1.00 0.00 O ATOM 1012 CB ASP A 82 5.171 -0.607 -7.391 1.00 0.00 C ATOM 1013 CG ASP A 82 5.443 -1.945 -6.702 1.00 0.00 C ATOM 1014 OD1 ASP A 82 6.542 -2.181 -6.177 1.00 0.00 O ATOM 1015 OD2 ASP A 82 4.457 -2.776 -6.717 1.00 0.00 O ATOM 0 H ASP A 82 4.386 1.701 -7.871 1.00 0.00 H new ATOM 0 HA ASP A 82 5.536 0.504 -5.583 1.00 0.00 H new ATOM 0 HB2 ASP A 82 4.095 -0.494 -7.519 1.00 0.00 H new ATOM 0 HB3 ASP A 82 5.610 -0.633 -8.388 1.00 0.00 H new ATOM 1021 N MET A 83 7.511 1.650 -7.877 1.00 0.00 N ATOM 1022 CA MET A 83 8.892 1.874 -8.270 1.00 0.00 C ATOM 1023 C MET A 83 9.463 3.115 -7.580 1.00 0.00 C ATOM 1024 O MET A 83 10.196 3.002 -6.598 1.00 0.00 O ATOM 1025 CB MET A 83 8.969 2.053 -9.787 1.00 0.00 C ATOM 1026 CG MET A 83 9.796 0.938 -10.430 1.00 0.00 C ATOM 1027 SD MET A 83 9.706 1.058 -12.208 1.00 0.00 S ATOM 1028 CE MET A 83 7.974 0.707 -12.455 1.00 0.00 C ATOM 0 H MET A 83 6.830 2.237 -8.358 1.00 0.00 H new ATOM 0 HA MET A 83 9.481 1.008 -7.967 1.00 0.00 H new ATOM 0 HB2 MET A 83 7.964 2.054 -10.208 1.00 0.00 H new ATOM 0 HB3 MET A 83 9.413 3.021 -10.020 1.00 0.00 H new ATOM 0 HG2 MET A 83 10.834 1.010 -10.105 1.00 0.00 H new ATOM 0 HG3 MET A 83 9.426 -0.034 -10.104 1.00 0.00 H new ATOM 0 HE1 MET A 83 7.837 0.210 -13.415 1.00 0.00 H new ATOM 0 HE2 MET A 83 7.617 0.057 -11.656 1.00 0.00 H new ATOM 0 HE3 MET A 83 7.409 1.639 -12.445 1.00 0.00 H new ATOM 1038 N GLU A 84 9.106 4.271 -8.121 1.00 0.00 N ATOM 1039 CA GLU A 84 9.574 5.531 -7.569 1.00 0.00 C ATOM 1040 C GLU A 84 9.077 5.699 -6.132 1.00 0.00 C ATOM 1041 O GLU A 84 8.300 4.882 -5.641 1.00 0.00 O ATOM 1042 CB GLU A 84 9.136 6.708 -8.443 1.00 0.00 C ATOM 1043 CG GLU A 84 10.134 7.864 -8.347 1.00 0.00 C ATOM 1044 CD GLU A 84 10.658 8.252 -9.732 1.00 0.00 C ATOM 1045 OE1 GLU A 84 11.685 7.720 -10.178 1.00 0.00 O ATOM 1046 OE2 GLU A 84 9.956 9.140 -10.350 1.00 0.00 O ATOM 0 H GLU A 84 8.498 4.361 -8.935 1.00 0.00 H new ATOM 0 HA GLU A 84 10.664 5.517 -7.555 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.049 6.383 -9.480 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.148 7.049 -8.132 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.655 8.725 -7.881 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.968 7.577 -7.706 1.00 0.00 H new ATOM 1054 N ASP A 85 9.545 6.765 -5.499 1.00 0.00 N ATOM 1055 CA ASP A 85 9.157 7.050 -4.128 1.00 0.00 C ATOM 1056 C ASP A 85 9.095 8.566 -3.926 1.00 0.00 C ATOM 1057 O ASP A 85 10.058 9.173 -3.458 1.00 0.00 O ATOM 1058 CB ASP A 85 10.175 6.482 -3.138 1.00 0.00 C ATOM 1059 CG ASP A 85 11.631 6.537 -3.604 1.00 0.00 C ATOM 1060 OD1 ASP A 85 12.102 7.568 -4.108 1.00 0.00 O ATOM 1061 OD2 ASP A 85 12.301 5.448 -3.430 1.00 0.00 O ATOM 0 H ASP A 85 10.189 7.441 -5.910 1.00 0.00 H new ATOM 0 HA ASP A 85 8.185 6.589 -3.949 1.00 0.00 H new ATOM 0 HB2 ASP A 85 10.089 7.028 -2.199 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.915 5.444 -2.928 1.00 0.00 H new ATOM 1067 N ASN A 86 7.954 9.133 -4.287 1.00 0.00 N ATOM 1068 CA ASN A 86 7.755 10.566 -4.151 1.00 0.00 C ATOM 1069 C ASN A 86 6.310 10.912 -4.516 1.00 0.00 C ATOM 1070 O ASN A 86 5.987 11.088 -5.690 1.00 0.00 O ATOM 1071 CB ASN A 86 8.678 11.343 -5.091 1.00 0.00 C ATOM 1072 CG ASN A 86 8.432 10.951 -6.550 1.00 0.00 C ATOM 1073 OD1 ASN A 86 8.061 9.832 -6.865 1.00 0.00 O ATOM 1074 ND2 ASN A 86 8.658 11.932 -7.419 1.00 0.00 N ATOM 0 H ASN A 86 7.158 8.626 -4.674 1.00 0.00 H new ATOM 0 HA ASN A 86 7.977 10.840 -3.120 1.00 0.00 H new ATOM 0 HB2 ASN A 86 8.513 12.413 -4.966 1.00 0.00 H new ATOM 0 HB3 ASN A 86 9.718 11.148 -4.829 1.00 0.00 H new ATOM 0 HD21 ASN A 86 8.522 11.771 -8.417 1.00 0.00 H new ATOM 0 HD22 ASN A 86 8.967 12.846 -7.088 1.00 0.00 H new ATOM 1081 N ASP A 87 5.478 10.999 -3.488 1.00 0.00 N ATOM 1082 CA ASP A 87 4.075 11.321 -3.686 1.00 0.00 C ATOM 1083 C ASP A 87 3.878 12.832 -3.545 1.00 0.00 C ATOM 1084 O ASP A 87 3.523 13.318 -2.472 1.00 0.00 O ATOM 1085 CB ASP A 87 3.199 10.631 -2.639 1.00 0.00 C ATOM 1086 CG ASP A 87 1.768 11.163 -2.540 1.00 0.00 C ATOM 1087 OD1 ASP A 87 1.402 12.139 -3.212 1.00 0.00 O ATOM 1088 OD2 ASP A 87 1.004 10.524 -1.721 1.00 0.00 O ATOM 0 H ASP A 87 5.749 10.852 -2.516 1.00 0.00 H new ATOM 0 HA ASP A 87 3.787 10.978 -4.680 1.00 0.00 H new ATOM 0 HB2 ASP A 87 3.159 9.566 -2.866 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.676 10.732 -1.664 1.00 0.00 H new ATOM 1094 N ILE A 88 4.118 13.533 -4.643 1.00 0.00 N ATOM 1095 CA ILE A 88 3.971 14.978 -4.656 1.00 0.00 C ATOM 1096 C ILE A 88 3.010 15.380 -5.777 1.00 0.00 C ATOM 1097 O ILE A 88 3.178 14.963 -6.922 1.00 0.00 O ATOM 1098 CB ILE A 88 5.340 15.655 -4.747 1.00 0.00 C ATOM 1099 CG1 ILE A 88 5.452 16.497 -6.020 1.00 0.00 C ATOM 1100 CG2 ILE A 88 6.468 14.627 -4.639 1.00 0.00 C ATOM 1101 CD1 ILE A 88 5.627 15.607 -7.252 1.00 0.00 C ATOM 0 H ILE A 88 4.414 13.127 -5.531 1.00 0.00 H new ATOM 0 HA ILE A 88 3.531 15.324 -3.721 1.00 0.00 H new ATOM 0 HB ILE A 88 5.442 16.335 -3.901 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.558 17.111 -6.134 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.298 17.179 -5.936 1.00 0.00 H new ATOM 0 HG21 ILE A 88 7.430 15.134 -4.707 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.397 14.109 -3.683 1.00 0.00 H new ATOM 0 HG23 ILE A 88 6.381 13.905 -5.451 1.00 0.00 H new ATOM 0 HD11 ILE A 88 5.704 16.230 -8.143 1.00 0.00 H new ATOM 0 HD12 ILE A 88 6.534 15.012 -7.145 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.767 14.943 -7.347 1.00 0.00 H new ATOM 1113 N ILE A 89 2.025 16.185 -5.408 1.00 0.00 N ATOM 1114 CA ILE A 89 1.037 16.648 -6.368 1.00 0.00 C ATOM 1115 C ILE A 89 0.653 18.092 -6.042 1.00 0.00 C ATOM 1116 O ILE A 89 1.034 18.619 -4.998 1.00 0.00 O ATOM 1117 CB ILE A 89 -0.154 15.689 -6.415 1.00 0.00 C ATOM 1118 CG1 ILE A 89 0.309 14.233 -6.335 1.00 0.00 C ATOM 1119 CG2 ILE A 89 -1.018 15.948 -7.651 1.00 0.00 C ATOM 1120 CD1 ILE A 89 -0.875 13.293 -6.102 1.00 0.00 C ATOM 0 H ILE A 89 1.890 16.529 -4.457 1.00 0.00 H new ATOM 0 HA ILE A 89 1.455 16.649 -7.375 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.777 15.877 -5.541 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.819 13.959 -7.258 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.031 14.121 -5.526 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.858 15.253 -7.660 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.394 16.971 -7.624 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.419 15.805 -8.550 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.518 12.264 -6.049 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.368 13.554 -5.166 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.583 13.389 -6.925 1.00 0.00 H new ATOM 1132 N GLU A 90 -0.098 18.691 -6.955 1.00 0.00 N ATOM 1133 CA GLU A 90 -0.539 20.064 -6.778 1.00 0.00 C ATOM 1134 C GLU A 90 -2.067 20.136 -6.782 1.00 0.00 C ATOM 1135 O GLU A 90 -2.715 19.592 -7.675 1.00 0.00 O ATOM 1136 CB GLU A 90 0.056 20.974 -7.854 1.00 0.00 C ATOM 1137 CG GLU A 90 -0.722 22.288 -7.952 1.00 0.00 C ATOM 1138 CD GLU A 90 0.160 23.407 -8.510 1.00 0.00 C ATOM 1139 OE1 GLU A 90 -0.117 23.930 -9.600 1.00 0.00 O ATOM 1140 OE2 GLU A 90 1.165 23.731 -7.768 1.00 0.00 O ATOM 0 H GLU A 90 -0.412 18.250 -7.820 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.181 20.418 -5.811 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.101 21.182 -7.623 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.038 20.464 -8.817 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.593 22.152 -8.593 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.093 22.570 -6.966 1.00 0.00 H new ATOM 1148 N ALA A 91 -2.599 20.812 -5.774 1.00 0.00 N ATOM 1149 CA ALA A 91 -4.039 20.962 -5.650 1.00 0.00 C ATOM 1150 C ALA A 91 -4.442 22.365 -6.108 1.00 0.00 C ATOM 1151 O ALA A 91 -3.703 23.326 -5.902 1.00 0.00 O ATOM 1152 CB ALA A 91 -4.460 20.676 -4.207 1.00 0.00 C ATOM 0 H ALA A 91 -2.058 21.262 -5.035 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.556 20.245 -6.288 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.540 20.789 -4.114 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.177 19.658 -3.940 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.963 21.378 -3.537 1.00 0.00 H new ATOM 1158 N HIS A 92 -5.615 22.438 -6.721 1.00 0.00 N ATOM 1159 CA HIS A 92 -6.125 23.707 -7.211 1.00 0.00 C ATOM 1160 C HIS A 92 -7.582 23.876 -6.775 1.00 0.00 C ATOM 1161 O HIS A 92 -8.137 23.010 -6.101 1.00 0.00 O ATOM 1162 CB HIS A 92 -5.943 23.819 -8.725 1.00 0.00 C ATOM 1163 CG HIS A 92 -4.781 24.689 -9.141 1.00 0.00 C ATOM 1164 ND1 HIS A 92 -4.489 24.968 -10.465 1.00 0.00 N ATOM 1165 CD2 HIS A 92 -3.842 25.339 -8.395 1.00 0.00 C ATOM 1166 CE1 HIS A 92 -3.421 25.751 -10.502 1.00 0.00 C ATOM 1167 NE2 HIS A 92 -3.021 25.980 -9.218 1.00 0.00 N ATOM 0 H HIS A 92 -6.226 21.639 -6.889 1.00 0.00 H new ATOM 0 HA HIS A 92 -5.553 24.526 -6.774 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -5.802 22.820 -9.139 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -6.858 24.219 -9.162 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -3.777 25.333 -7.317 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -2.950 26.140 -11.393 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -2.223 26.550 -8.937 1.00 0.00 H new ATOM 1175 N ARG A 93 -8.161 24.998 -7.178 1.00 0.00 N ATOM 1176 CA ARG A 93 -9.542 25.292 -6.838 1.00 0.00 C ATOM 1177 C ARG A 93 -10.459 24.977 -8.022 1.00 0.00 C ATOM 1178 O ARG A 93 -10.087 25.192 -9.174 1.00 0.00 O ATOM 1179 CB ARG A 93 -9.713 26.761 -6.447 1.00 0.00 C ATOM 1180 CG ARG A 93 -8.707 27.161 -5.366 1.00 0.00 C ATOM 1181 CD ARG A 93 -9.117 26.603 -4.002 1.00 0.00 C ATOM 1182 NE ARG A 93 -9.416 27.713 -3.070 1.00 0.00 N ATOM 1183 CZ ARG A 93 -8.475 28.447 -2.439 1.00 0.00 C ATOM 1184 NH1 ARG A 93 -7.163 28.194 -2.636 1.00 0.00 N ATOM 1185 NH2 ARG A 93 -8.856 29.415 -1.628 1.00 0.00 N ATOM 0 H ARG A 93 -7.698 25.714 -7.737 1.00 0.00 H new ATOM 0 HA ARG A 93 -9.813 24.667 -5.987 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -9.579 27.393 -7.325 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -10.727 26.929 -6.085 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.717 26.791 -5.631 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.638 28.247 -5.313 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -9.992 25.962 -4.110 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -8.316 25.983 -3.598 1.00 0.00 H new ATOM 0 HE ARG A 93 -10.395 27.938 -2.893 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -6.877 27.444 -3.265 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -6.458 28.753 -2.156 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -9.849 29.600 -1.485 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -8.158 29.979 -1.144 1.00 0.00 H new ATOM 1198 N GLU A 94 -11.640 24.472 -7.697 1.00 0.00 N ATOM 1199 CA GLU A 94 -12.612 24.125 -8.719 1.00 0.00 C ATOM 1200 C GLU A 94 -14.014 24.043 -8.112 1.00 0.00 C ATOM 1201 O GLU A 94 -14.514 22.952 -7.840 1.00 0.00 O ATOM 1202 CB GLU A 94 -12.237 22.812 -9.410 1.00 0.00 C ATOM 1203 CG GLU A 94 -11.633 23.074 -10.792 1.00 0.00 C ATOM 1204 CD GLU A 94 -12.730 23.267 -11.841 1.00 0.00 C ATOM 1205 OE1 GLU A 94 -13.638 22.429 -11.951 1.00 0.00 O ATOM 1206 OE2 GLU A 94 -12.617 24.333 -12.559 1.00 0.00 O ATOM 0 H GLU A 94 -11.946 24.295 -6.740 1.00 0.00 H new ATOM 0 HA GLU A 94 -12.610 24.909 -9.476 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -11.523 22.264 -8.795 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -13.122 22.183 -9.509 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -11.000 23.961 -10.754 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -10.994 22.239 -11.078 1.00 0.00 H new