USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 664 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 23 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 24 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 8 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.619 X(o=-0.62,f=-0.16) USER MOD Single : A 10 GLN : amide:sc= -4.27! C(o=-4.3!,f=-9!) USER MOD Single : A 15 CYS SG : rot 170:sc= -1.23 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.545 F(o=-1.7,f=-0.55) USER MOD Single : A 26 GLN : amide:sc=-0.00783 X(o=-0.0078,f=0) USER MOD Single : A 35 THR OG1 : rot 31:sc= 0.217 USER MOD Single : A 36 ASN : amide:sc= 0.324 K(o=0.32,f=-4.2!) USER MOD Single : A 38 ASN : amide:sc= -1.85 K(o=-1.8,f=-3.4) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 45 LYS NZ :NH3+ -152:sc= -0.0375 (180deg=-0.637) USER MOD Single : A 46 THR OG1 : rot -160:sc= -0.416 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -1.14 K(o=-1.1,f=-6.4!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot -17:sc= 0.491 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 31:sc= 0.48 USER MOD ----------------------------------------------------------------- ATOM 77 N HIS A 6 -4.198 13.418 -2.881 1.00 0.00 N ATOM 78 CA HIS A 6 -4.594 12.091 -2.407 1.00 0.00 C ATOM 79 C HIS A 6 -3.631 11.016 -2.924 1.00 0.00 C ATOM 80 O HIS A 6 -2.629 11.326 -3.567 1.00 0.00 O ATOM 81 CB HIS A 6 -6.031 11.765 -2.842 1.00 0.00 C ATOM 82 CG HIS A 6 -7.042 12.810 -2.469 1.00 0.00 C ATOM 83 ND1 HIS A 6 -8.391 12.666 -2.716 1.00 0.00 N ATOM 84 CD2 HIS A 6 -6.899 14.017 -1.868 1.00 0.00 C ATOM 85 CE1 HIS A 6 -9.034 13.737 -2.287 1.00 0.00 C ATOM 86 NE2 HIS A 6 -8.151 14.571 -1.767 1.00 0.00 N ATOM 0 HA HIS A 6 -4.552 12.099 -1.318 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.049 11.629 -3.923 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.326 10.815 -2.396 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -5.973 14.460 -1.532 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.099 13.903 -2.350 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -8.365 15.480 -1.357 1.00 0.00 H new ATOM 95 N ILE A 7 -3.936 9.749 -2.636 1.00 0.00 N ATOM 96 CA ILE A 7 -3.091 8.639 -3.075 1.00 0.00 C ATOM 97 C ILE A 7 -3.917 7.557 -3.767 1.00 0.00 C ATOM 98 O ILE A 7 -5.062 7.308 -3.397 1.00 0.00 O ATOM 99 CB ILE A 7 -2.317 8.008 -1.894 1.00 0.00 C ATOM 100 CG1 ILE A 7 -1.331 9.013 -1.294 1.00 0.00 C ATOM 101 CG2 ILE A 7 -1.573 6.757 -2.349 1.00 0.00 C ATOM 102 CD1 ILE A 7 -1.981 10.110 -0.476 1.00 0.00 C ATOM 0 H ILE A 7 -4.759 9.468 -2.103 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.374 9.054 -3.783 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.040 7.728 -1.127 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.622 8.477 -0.663 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.758 9.469 -2.101 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.034 6.327 -1.505 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.287 6.028 -2.733 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.865 7.020 -3.135 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.212 10.778 -0.088 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.668 10.675 -1.106 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.530 9.667 0.355 1.00 0.00 H new ATOM 114 N THR A 8 -3.322 6.912 -4.767 1.00 0.00 N ATOM 115 CA THR A 8 -3.996 5.848 -5.510 1.00 0.00 C ATOM 116 C THR A 8 -3.606 4.471 -4.969 1.00 0.00 C ATOM 117 O THR A 8 -2.578 3.913 -5.359 1.00 0.00 O ATOM 118 CB THR A 8 -3.654 5.936 -6.999 1.00 0.00 C ATOM 119 OG1 THR A 8 -3.868 7.248 -7.494 1.00 0.00 O ATOM 120 CG2 THR A 8 -4.462 4.982 -7.854 1.00 0.00 C ATOM 0 H THR A 8 -2.372 7.107 -5.083 1.00 0.00 H new ATOM 0 HA THR A 8 -5.071 5.979 -5.383 1.00 0.00 H new ATOM 0 HB THR A 8 -2.602 5.661 -7.068 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.641 7.279 -8.447 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.171 5.094 -8.899 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.274 3.957 -7.533 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.523 5.207 -7.746 1.00 0.00 H new ATOM 128 N VAL A 9 -4.434 3.924 -4.080 1.00 0.00 N ATOM 129 CA VAL A 9 -4.175 2.608 -3.497 1.00 0.00 C ATOM 130 C VAL A 9 -5.192 1.583 -3.996 1.00 0.00 C ATOM 131 O VAL A 9 -6.352 1.589 -3.585 1.00 0.00 O ATOM 132 CB VAL A 9 -4.183 2.654 -1.952 1.00 0.00 C ATOM 133 CG1 VAL A 9 -5.540 3.084 -1.413 1.00 0.00 C ATOM 134 CG2 VAL A 9 -3.768 1.307 -1.374 1.00 0.00 C ATOM 0 H VAL A 9 -5.289 4.371 -3.748 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.179 2.304 -3.819 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.456 3.402 -1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.509 3.105 -0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.782 4.078 -1.788 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.302 2.377 -1.740 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.780 1.359 -0.285 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.464 0.538 -1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.763 1.059 -1.715 1.00 0.00 H new ATOM 144 N GLN A 10 -4.753 0.711 -4.901 1.00 0.00 N ATOM 145 CA GLN A 10 -5.631 -0.306 -5.472 1.00 0.00 C ATOM 146 C GLN A 10 -4.997 -1.697 -5.417 1.00 0.00 C ATOM 147 O GLN A 10 -3.842 -1.851 -5.014 1.00 0.00 O ATOM 148 CB GLN A 10 -5.968 0.061 -6.918 1.00 0.00 C ATOM 149 CG GLN A 10 -4.745 0.211 -7.808 1.00 0.00 C ATOM 150 CD GLN A 10 -4.498 1.641 -8.241 1.00 0.00 C ATOM 151 OE1 GLN A 10 -3.560 2.287 -7.778 1.00 0.00 O ATOM 152 NE2 GLN A 10 -5.340 2.141 -9.139 1.00 0.00 N ATOM 0 H GLN A 10 -3.796 0.689 -5.254 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.544 -0.337 -4.877 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -6.620 -0.706 -7.336 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.529 0.995 -6.926 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.868 -0.158 -7.276 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.868 -0.414 -8.692 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.105 1.568 -9.496 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.222 3.098 -9.472 1.00 0.00 H new ATOM 161 N PHE A 11 -5.766 -2.709 -5.828 1.00 0.00 N ATOM 162 CA PHE A 11 -5.288 -4.090 -5.831 1.00 0.00 C ATOM 163 C PHE A 11 -5.284 -4.668 -7.246 1.00 0.00 C ATOM 164 O PHE A 11 -5.948 -4.143 -8.144 1.00 0.00 O ATOM 165 CB PHE A 11 -6.155 -4.958 -4.918 1.00 0.00 C ATOM 166 CG PHE A 11 -6.020 -4.620 -3.459 1.00 0.00 C ATOM 167 CD1 PHE A 11 -4.993 -5.159 -2.701 1.00 0.00 C ATOM 168 CD2 PHE A 11 -6.920 -3.761 -2.845 1.00 0.00 C ATOM 169 CE1 PHE A 11 -4.865 -4.851 -1.360 1.00 0.00 C ATOM 170 CE2 PHE A 11 -6.797 -3.449 -1.505 1.00 0.00 C ATOM 171 CZ PHE A 11 -5.767 -3.993 -0.761 1.00 0.00 C ATOM 0 H PHE A 11 -6.723 -2.595 -6.163 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.265 -4.089 -5.456 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -7.199 -4.850 -5.212 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.889 -6.005 -5.066 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.283 -5.829 -3.164 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.726 -3.331 -3.421 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.061 -5.280 -0.781 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -7.505 -2.780 -1.039 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.668 -3.748 0.286 1.00 0.00 H new ATOM 181 N ALA A 12 -4.532 -5.753 -7.436 1.00 0.00 N ATOM 182 CA ALA A 12 -4.435 -6.410 -8.740 1.00 0.00 C ATOM 183 C ALA A 12 -3.657 -7.722 -8.646 1.00 0.00 C ATOM 184 O ALA A 12 -2.870 -7.922 -7.720 1.00 0.00 O ATOM 185 CB ALA A 12 -3.778 -5.483 -9.755 1.00 0.00 C ATOM 0 H ALA A 12 -3.980 -6.196 -6.702 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.447 -6.640 -9.072 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.713 -5.987 -10.719 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.374 -4.576 -9.858 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.776 -5.222 -9.414 1.00 0.00 H new ATOM 191 N GLY A 13 -3.880 -8.612 -9.613 1.00 0.00 N ATOM 192 CA GLY A 13 -3.191 -9.893 -9.623 1.00 0.00 C ATOM 193 C GLY A 13 -3.591 -10.780 -8.458 1.00 0.00 C ATOM 194 O GLY A 13 -2.735 -11.381 -7.806 1.00 0.00 O ATOM 0 H GLY A 13 -4.526 -8.468 -10.389 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.406 -10.410 -10.559 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.115 -9.723 -9.593 1.00 0.00 H new ATOM 198 N GLY A 14 -4.896 -10.855 -8.196 1.00 0.00 N ATOM 199 CA GLY A 14 -5.396 -11.670 -7.102 1.00 0.00 C ATOM 200 C GLY A 14 -4.987 -11.141 -5.734 1.00 0.00 C ATOM 201 O GLY A 14 -4.772 -11.922 -4.804 1.00 0.00 O ATOM 0 H GLY A 14 -5.617 -10.364 -8.725 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.484 -11.716 -7.158 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.027 -12.689 -7.217 1.00 0.00 H new ATOM 205 N CYS A 15 -4.882 -9.815 -5.608 1.00 0.00 N ATOM 206 CA CYS A 15 -4.497 -9.186 -4.343 1.00 0.00 C ATOM 207 C CYS A 15 -5.674 -8.442 -3.701 1.00 0.00 C ATOM 208 O CYS A 15 -5.643 -8.138 -2.509 1.00 0.00 O ATOM 209 CB CYS A 15 -3.328 -8.220 -4.560 1.00 0.00 C ATOM 210 SG CYS A 15 -2.001 -8.376 -3.339 1.00 0.00 S ATOM 0 H CYS A 15 -5.058 -9.157 -6.367 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.187 -9.980 -3.664 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -2.913 -8.387 -5.554 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -3.707 -7.198 -4.540 1.00 0.00 H new ATOM 0 HG CYS A 15 -0.973 -7.679 -3.723 1.00 0.00 H new ATOM 216 N GLU A 16 -6.707 -8.151 -4.496 1.00 0.00 N ATOM 217 CA GLU A 16 -7.888 -7.441 -4.001 1.00 0.00 C ATOM 218 C GLU A 16 -8.570 -8.202 -2.859 1.00 0.00 C ATOM 219 O GLU A 16 -9.254 -7.601 -2.028 1.00 0.00 O ATOM 220 CB GLU A 16 -8.879 -7.206 -5.144 1.00 0.00 C ATOM 221 CG GLU A 16 -9.378 -8.487 -5.797 1.00 0.00 C ATOM 222 CD GLU A 16 -8.785 -8.706 -7.176 1.00 0.00 C ATOM 223 OE1 GLU A 16 -7.590 -9.065 -7.260 1.00 0.00 O ATOM 224 OE2 GLU A 16 -9.516 -8.518 -8.171 1.00 0.00 O ATOM 0 H GLU A 16 -6.749 -8.396 -5.485 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.556 -6.480 -3.607 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.733 -6.647 -4.763 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.404 -6.584 -5.902 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.130 -9.336 -5.160 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.465 -8.452 -5.874 1.00 0.00 H new ATOM 231 N LEU A 17 -8.376 -9.524 -2.818 1.00 0.00 N ATOM 232 CA LEU A 17 -8.970 -10.356 -1.771 1.00 0.00 C ATOM 233 C LEU A 17 -8.392 -10.032 -0.385 1.00 0.00 C ATOM 234 O LEU A 17 -8.882 -10.541 0.623 1.00 0.00 O ATOM 235 CB LEU A 17 -8.757 -11.841 -2.082 1.00 0.00 C ATOM 236 CG LEU A 17 -9.879 -12.507 -2.886 1.00 0.00 C ATOM 237 CD1 LEU A 17 -9.820 -12.082 -4.347 1.00 0.00 C ATOM 238 CD2 LEU A 17 -9.788 -14.023 -2.763 1.00 0.00 C ATOM 0 H LEU A 17 -7.814 -10.038 -3.496 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.037 -10.136 -1.752 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.823 -11.950 -2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.637 -12.379 -1.142 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.836 -12.183 -2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.625 -12.566 -4.900 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.932 -11.000 -4.416 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.860 -12.375 -4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.591 -14.484 -3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.826 -14.362 -3.146 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.882 -14.309 -1.716 1.00 0.00 H new ATOM 250 N LEU A 18 -7.352 -9.189 -0.332 1.00 0.00 N ATOM 251 CA LEU A 18 -6.729 -8.814 0.939 1.00 0.00 C ATOM 252 C LEU A 18 -7.611 -7.862 1.763 1.00 0.00 C ATOM 253 O LEU A 18 -7.215 -7.442 2.850 1.00 0.00 O ATOM 254 CB LEU A 18 -5.363 -8.162 0.687 1.00 0.00 C ATOM 255 CG LEU A 18 -4.240 -9.126 0.293 1.00 0.00 C ATOM 256 CD1 LEU A 18 -3.028 -8.356 -0.214 1.00 0.00 C ATOM 257 CD2 LEU A 18 -3.855 -10.008 1.472 1.00 0.00 C ATOM 0 H LEU A 18 -6.928 -8.757 -1.153 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.602 -9.730 1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.474 -7.418 -0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.062 -7.628 1.588 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.603 -9.765 -0.512 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.240 -9.057 -0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.310 -7.767 -1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.665 -7.692 0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.056 -10.686 1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.512 -9.383 2.297 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.722 -10.587 1.792 1.00 0.00 H new ATOM 269 N PHE A 19 -8.803 -7.526 1.254 1.00 0.00 N ATOM 270 CA PHE A 19 -9.723 -6.630 1.956 1.00 0.00 C ATOM 271 C PHE A 19 -11.157 -7.071 1.717 1.00 0.00 C ATOM 272 O PHE A 19 -11.847 -7.507 2.640 1.00 0.00 O ATOM 273 CB PHE A 19 -9.519 -5.184 1.478 1.00 0.00 C ATOM 274 CG PHE A 19 -10.346 -4.166 2.219 1.00 0.00 C ATOM 275 CD1 PHE A 19 -11.674 -3.947 1.880 1.00 0.00 C ATOM 276 CD2 PHE A 19 -9.790 -3.423 3.246 1.00 0.00 C ATOM 277 CE1 PHE A 19 -12.429 -3.008 2.558 1.00 0.00 C ATOM 278 CE2 PHE A 19 -10.540 -2.482 3.926 1.00 0.00 C ATOM 279 CZ PHE A 19 -11.861 -2.274 3.582 1.00 0.00 C ATOM 0 H PHE A 19 -9.151 -7.863 0.357 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.517 -6.674 3.025 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.465 -4.924 1.581 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.759 -5.127 0.416 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -12.122 -4.516 1.079 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -8.757 -3.581 3.519 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -13.462 -2.848 2.288 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.093 -1.910 4.726 1.00 0.00 H new ATOM 0 HZ PHE A 19 -12.449 -1.539 4.112 1.00 0.00 H new ATOM 289 N ALA A 20 -11.588 -6.965 0.469 1.00 0.00 N ATOM 290 CA ALA A 20 -12.931 -7.361 0.079 1.00 0.00 C ATOM 291 C ALA A 20 -13.080 -7.309 -1.439 1.00 0.00 C ATOM 292 O ALA A 20 -14.112 -6.881 -1.960 1.00 0.00 O ATOM 293 CB ALA A 20 -13.965 -6.477 0.765 1.00 0.00 C ATOM 0 H ALA A 20 -11.020 -6.604 -0.297 1.00 0.00 H new ATOM 0 HA ALA A 20 -13.102 -8.389 0.399 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.966 -6.786 0.463 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -13.866 -6.574 1.846 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -13.804 -5.438 0.477 1.00 0.00 H new ATOM 299 N LYS A 21 -12.029 -7.747 -2.140 1.00 0.00 N ATOM 300 CA LYS A 21 -12.016 -7.752 -3.601 1.00 0.00 C ATOM 301 C LYS A 21 -12.376 -6.372 -4.151 1.00 0.00 C ATOM 302 O LYS A 21 -13.200 -6.241 -5.059 1.00 0.00 O ATOM 303 CB LYS A 21 -12.975 -8.823 -4.129 1.00 0.00 C ATOM 304 CG LYS A 21 -12.727 -10.198 -3.527 1.00 0.00 C ATOM 305 CD LYS A 21 -13.636 -10.459 -2.335 1.00 0.00 C ATOM 306 CE LYS A 21 -13.666 -11.936 -1.966 1.00 0.00 C ATOM 307 NZ LYS A 21 -15.011 -12.366 -1.488 1.00 0.00 N ATOM 0 H LYS A 21 -11.174 -8.104 -1.714 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.009 -7.991 -3.943 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.000 -8.520 -3.917 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.879 -8.885 -5.213 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.892 -10.963 -4.286 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.685 -10.277 -3.215 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.292 -9.877 -1.480 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.646 -10.120 -2.566 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.382 -12.532 -2.833 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.926 -12.131 -1.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.987 -13.378 -1.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.272 -11.816 -0.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.714 -12.205 -2.238 1.00 0.00 H new ATOM 321 N GLN A 22 -11.745 -5.341 -3.584 1.00 0.00 N ATOM 322 CA GLN A 22 -11.988 -3.961 -3.997 1.00 0.00 C ATOM 323 C GLN A 22 -11.315 -3.666 -5.336 1.00 0.00 C ATOM 324 O GLN A 22 -10.679 -4.539 -5.927 1.00 0.00 O ATOM 325 CB GLN A 22 -11.475 -2.990 -2.927 1.00 0.00 C ATOM 326 CG GLN A 22 -12.094 -3.210 -1.556 1.00 0.00 C ATOM 327 CD GLN A 22 -12.870 -2.003 -1.068 1.00 0.00 C ATOM 328 OE1 GLN A 22 -12.233 -1.180 -0.241 1.00 0.00 O flip ATOM 329 NE2 GLN A 22 -14.031 -1.809 -1.430 1.00 0.00 N flip ATOM 0 H GLN A 22 -11.060 -5.439 -2.835 1.00 0.00 H new ATOM 0 HA GLN A 22 -13.063 -3.826 -4.116 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.392 -3.090 -2.847 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -11.678 -1.968 -3.248 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -12.758 -4.073 -1.595 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.307 -3.446 -0.839 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -14.483 -2.466 -2.066 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -14.540 -0.992 -1.094 1.00 0.00 H new ATOM 338 N THR A 23 -11.463 -2.432 -5.810 1.00 0.00 N ATOM 339 CA THR A 23 -10.869 -2.031 -7.080 1.00 0.00 C ATOM 340 C THR A 23 -9.776 -0.982 -6.874 1.00 0.00 C ATOM 341 O THR A 23 -8.688 -1.098 -7.434 1.00 0.00 O ATOM 342 CB THR A 23 -11.948 -1.494 -8.027 1.00 0.00 C ATOM 343 OG1 THR A 23 -12.697 -0.463 -7.405 1.00 0.00 O ATOM 344 CG2 THR A 23 -12.924 -2.556 -8.490 1.00 0.00 C ATOM 0 H THR A 23 -11.987 -1.696 -5.336 1.00 0.00 H new ATOM 0 HA THR A 23 -10.410 -2.912 -7.529 1.00 0.00 H new ATOM 0 HB THR A 23 -11.406 -1.119 -8.895 1.00 0.00 H new ATOM 0 HG1 THR A 23 -13.379 -0.133 -8.027 1.00 0.00 H new ATOM 0 HG21 THR A 23 -13.660 -2.108 -9.157 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.384 -3.340 -9.020 1.00 0.00 H new ATOM 0 HG23 THR A 23 -13.431 -2.986 -7.626 1.00 0.00 H new ATOM 352 N SER A 24 -10.072 0.041 -6.070 1.00 0.00 N ATOM 353 CA SER A 24 -9.107 1.108 -5.797 1.00 0.00 C ATOM 354 C SER A 24 -9.611 2.031 -4.688 1.00 0.00 C ATOM 355 O SER A 24 -10.816 2.139 -4.460 1.00 0.00 O ATOM 356 CB SER A 24 -8.835 1.916 -7.067 1.00 0.00 C ATOM 357 OG SER A 24 -10.042 2.383 -7.645 1.00 0.00 O ATOM 0 H SER A 24 -10.969 0.153 -5.598 1.00 0.00 H new ATOM 0 HA SER A 24 -8.178 0.646 -5.464 1.00 0.00 H new ATOM 0 HB2 SER A 24 -8.190 2.763 -6.832 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.299 1.298 -7.787 1.00 0.00 H new ATOM 0 HG SER A 24 -9.840 2.898 -8.454 1.00 0.00 H new ATOM 363 N LEU A 25 -8.678 2.692 -4.000 1.00 0.00 N ATOM 364 CA LEU A 25 -9.032 3.604 -2.912 1.00 0.00 C ATOM 365 C LEU A 25 -8.136 4.841 -2.903 1.00 0.00 C ATOM 366 O LEU A 25 -7.100 4.876 -3.571 1.00 0.00 O ATOM 367 CB LEU A 25 -8.934 2.882 -1.565 1.00 0.00 C ATOM 368 CG LEU A 25 -10.032 1.846 -1.298 1.00 0.00 C ATOM 369 CD1 LEU A 25 -9.432 0.456 -1.157 1.00 0.00 C ATOM 370 CD2 LEU A 25 -10.826 2.218 -0.054 1.00 0.00 C ATOM 0 H LEU A 25 -7.676 2.613 -4.176 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.059 3.932 -3.075 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.966 2.385 -1.507 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.958 3.627 -0.769 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.713 1.839 -2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.227 -0.266 -0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.911 0.190 -2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.728 0.446 -0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.601 1.471 0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.158 2.255 0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.289 3.195 -0.196 1.00 0.00 H new ATOM 382 N GLN A 26 -8.544 5.856 -2.138 1.00 0.00 N ATOM 383 CA GLN A 26 -7.778 7.095 -2.036 1.00 0.00 C ATOM 384 C GLN A 26 -7.610 7.514 -0.577 1.00 0.00 C ATOM 385 O GLN A 26 -8.590 7.631 0.160 1.00 0.00 O ATOM 386 CB GLN A 26 -8.463 8.214 -2.823 1.00 0.00 C ATOM 387 CG GLN A 26 -8.006 8.307 -4.272 1.00 0.00 C ATOM 388 CD GLN A 26 -9.156 8.204 -5.255 1.00 0.00 C ATOM 389 OE1 GLN A 26 -9.494 9.174 -5.934 1.00 0.00 O ATOM 390 NE2 GLN A 26 -9.767 7.028 -5.335 1.00 0.00 N ATOM 0 H GLN A 26 -9.399 5.842 -1.582 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.791 6.915 -2.461 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.541 8.056 -2.800 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.270 9.166 -2.328 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.486 9.253 -4.425 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.288 7.512 -4.474 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.454 6.250 -4.754 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.549 6.902 -5.978 1.00 0.00 H new ATOM 399 N LEU A 27 -6.361 7.739 -0.168 1.00 0.00 N ATOM 400 CA LEU A 27 -6.069 8.148 1.203 1.00 0.00 C ATOM 401 C LEU A 27 -5.759 9.640 1.270 1.00 0.00 C ATOM 402 O LEU A 27 -5.108 10.188 0.377 1.00 0.00 O ATOM 403 CB LEU A 27 -4.890 7.342 1.759 1.00 0.00 C ATOM 404 CG LEU A 27 -5.000 5.823 1.590 1.00 0.00 C ATOM 405 CD1 LEU A 27 -3.628 5.173 1.695 1.00 0.00 C ATOM 406 CD2 LEU A 27 -5.952 5.236 2.623 1.00 0.00 C ATOM 0 H LEU A 27 -5.539 7.645 -0.765 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.952 7.951 1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.977 7.681 1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.786 7.567 2.820 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.402 5.616 0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.726 4.094 1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.977 5.569 0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.197 5.389 2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.017 4.157 2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.581 5.453 3.625 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.941 5.677 2.499 1.00 0.00 H new ATOM 504 N THR A 35 6.474 11.400 6.749 1.00 0.00 N ATOM 505 CA THR A 35 5.809 10.098 6.696 1.00 0.00 C ATOM 506 C THR A 35 6.355 9.256 5.544 1.00 0.00 C ATOM 507 O THR A 35 6.264 9.649 4.379 1.00 0.00 O ATOM 508 CB THR A 35 4.294 10.281 6.548 1.00 0.00 C ATOM 509 OG1 THR A 35 3.803 11.225 7.484 1.00 0.00 O ATOM 510 CG2 THR A 35 3.514 8.997 6.744 1.00 0.00 C ATOM 0 HA THR A 35 6.011 9.573 7.629 1.00 0.00 H new ATOM 0 HB THR A 35 4.148 10.628 5.525 1.00 0.00 H new ATOM 0 HG1 THR A 35 4.498 11.889 7.674 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.449 9.197 6.626 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.830 8.263 6.003 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.701 8.607 7.744 1.00 0.00 H new ATOM 518 N ASN A 36 6.923 8.097 5.882 1.00 0.00 N ATOM 519 CA ASN A 36 7.489 7.192 4.883 1.00 0.00 C ATOM 520 C ASN A 36 6.485 6.105 4.491 1.00 0.00 C ATOM 521 O ASN A 36 5.338 6.116 4.944 1.00 0.00 O ATOM 522 CB ASN A 36 8.783 6.556 5.412 1.00 0.00 C ATOM 523 CG ASN A 36 8.553 5.659 6.619 1.00 0.00 C ATOM 524 OD1 ASN A 36 7.819 6.015 7.541 1.00 0.00 O ATOM 525 ND2 ASN A 36 9.185 4.490 6.617 1.00 0.00 N ATOM 0 H ASN A 36 7.003 7.763 6.843 1.00 0.00 H new ATOM 0 HA ASN A 36 7.721 7.775 3.992 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.247 5.973 4.616 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.486 7.345 5.681 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.071 3.847 7.401 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.784 4.235 5.832 1.00 0.00 H new ATOM 532 N LEU A 37 6.922 5.172 3.644 1.00 0.00 N ATOM 533 CA LEU A 37 6.063 4.082 3.184 1.00 0.00 C ATOM 534 C LEU A 37 5.476 3.298 4.354 1.00 0.00 C ATOM 535 O LEU A 37 4.305 2.924 4.322 1.00 0.00 O ATOM 536 CB LEU A 37 6.836 3.135 2.263 1.00 0.00 C ATOM 537 CG LEU A 37 5.964 2.198 1.422 1.00 0.00 C ATOM 538 CD1 LEU A 37 6.421 2.205 -0.028 1.00 0.00 C ATOM 539 CD2 LEU A 37 5.988 0.785 1.988 1.00 0.00 C ATOM 0 H LEU A 37 7.868 5.150 3.262 1.00 0.00 H new ATOM 0 HA LEU A 37 5.241 4.531 2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.456 3.730 1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.511 2.532 2.870 1.00 0.00 H new ATOM 0 HG LEU A 37 4.936 2.560 1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.791 1.534 -0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.344 3.216 -0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.457 1.870 -0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.362 0.137 1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.011 0.409 1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.608 0.796 3.010 1.00 0.00 H new ATOM 551 N ASN A 38 6.287 3.059 5.387 1.00 0.00 N ATOM 552 CA ASN A 38 5.824 2.325 6.566 1.00 0.00 C ATOM 553 C ASN A 38 4.536 2.948 7.095 1.00 0.00 C ATOM 554 O ASN A 38 3.576 2.242 7.405 1.00 0.00 O ATOM 555 CB ASN A 38 6.895 2.325 7.660 1.00 0.00 C ATOM 556 CG ASN A 38 6.504 1.472 8.856 1.00 0.00 C ATOM 557 OD1 ASN A 38 5.931 0.393 8.703 1.00 0.00 O ATOM 558 ND2 ASN A 38 6.810 1.953 10.057 1.00 0.00 N ATOM 0 H ASN A 38 7.260 3.361 5.431 1.00 0.00 H new ATOM 0 HA ASN A 38 5.629 1.293 6.275 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.833 1.956 7.246 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.073 3.348 7.990 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.570 1.423 10.895 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.285 2.852 10.141 1.00 0.00 H new ATOM 565 N GLY A 39 4.522 4.278 7.166 1.00 0.00 N ATOM 566 CA GLY A 39 3.344 4.986 7.625 1.00 0.00 C ATOM 567 C GLY A 39 2.213 4.919 6.618 1.00 0.00 C ATOM 568 O GLY A 39 1.043 4.889 6.996 1.00 0.00 O ATOM 0 H GLY A 39 5.308 4.876 6.913 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.012 4.561 8.572 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.599 6.029 7.815 1.00 0.00 H new ATOM 572 N LEU A 40 2.564 4.887 5.329 1.00 0.00 N ATOM 573 CA LEU A 40 1.569 4.816 4.264 1.00 0.00 C ATOM 574 C LEU A 40 0.837 3.474 4.288 1.00 0.00 C ATOM 575 O LEU A 40 -0.387 3.430 4.429 1.00 0.00 O ATOM 576 CB LEU A 40 2.233 5.031 2.898 1.00 0.00 C ATOM 577 CG LEU A 40 1.313 4.836 1.690 1.00 0.00 C ATOM 578 CD1 LEU A 40 1.657 5.823 0.583 1.00 0.00 C ATOM 579 CD2 LEU A 40 1.397 3.405 1.181 1.00 0.00 C ATOM 0 H LEU A 40 3.530 4.909 5.002 1.00 0.00 H new ATOM 0 HA LEU A 40 0.838 5.608 4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.641 6.041 2.865 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.075 4.344 2.809 1.00 0.00 H new ATOM 0 HG LEU A 40 0.288 5.028 2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.990 5.666 -0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.539 6.841 0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.689 5.670 0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.736 3.285 0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.422 3.184 0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.093 2.719 1.972 1.00 0.00 H new ATOM 591 N VAL A 41 1.592 2.384 4.147 1.00 0.00 N ATOM 592 CA VAL A 41 1.008 1.044 4.150 1.00 0.00 C ATOM 593 C VAL A 41 0.278 0.761 5.459 1.00 0.00 C ATOM 594 O VAL A 41 -0.913 0.469 5.455 1.00 0.00 O ATOM 595 CB VAL A 41 2.052 -0.069 3.897 1.00 0.00 C ATOM 596 CG1 VAL A 41 2.265 -0.262 2.404 1.00 0.00 C ATOM 597 CG2 VAL A 41 3.375 0.225 4.596 1.00 0.00 C ATOM 0 H VAL A 41 2.605 2.403 4.030 1.00 0.00 H new ATOM 0 HA VAL A 41 0.297 1.030 3.324 1.00 0.00 H new ATOM 0 HB VAL A 41 1.660 -0.994 4.321 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.002 -1.048 2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.322 -0.545 1.936 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.623 0.669 1.964 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.081 -0.581 4.393 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.782 1.166 4.225 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.210 0.300 5.671 1.00 0.00 H new ATOM 607 N GLN A 42 0.995 0.859 6.579 1.00 0.00 N ATOM 608 CA GLN A 42 0.404 0.620 7.896 1.00 0.00 C ATOM 609 C GLN A 42 -0.911 1.392 8.067 1.00 0.00 C ATOM 610 O GLN A 42 -1.829 0.921 8.740 1.00 0.00 O ATOM 611 CB GLN A 42 1.387 1.018 9.000 1.00 0.00 C ATOM 612 CG GLN A 42 1.082 0.385 10.349 1.00 0.00 C ATOM 613 CD GLN A 42 1.353 1.322 11.510 1.00 0.00 C ATOM 614 OE1 GLN A 42 0.763 2.399 11.603 1.00 0.00 O ATOM 615 NE2 GLN A 42 2.247 0.917 12.405 1.00 0.00 N ATOM 0 H GLN A 42 1.985 1.102 6.601 1.00 0.00 H new ATOM 0 HA GLN A 42 0.187 -0.445 7.974 1.00 0.00 H new ATOM 0 HB2 GLN A 42 2.395 0.735 8.696 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.379 2.103 9.108 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.037 0.076 10.373 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.683 -0.516 10.467 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.713 0.017 12.289 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.468 1.506 13.208 1.00 0.00 H new ATOM 624 N LEU A 43 -0.993 2.577 7.455 1.00 0.00 N ATOM 625 CA LEU A 43 -2.194 3.410 7.543 1.00 0.00 C ATOM 626 C LEU A 43 -3.353 2.822 6.731 1.00 0.00 C ATOM 627 O LEU A 43 -4.517 3.031 7.072 1.00 0.00 O ATOM 628 CB LEU A 43 -1.889 4.838 7.068 1.00 0.00 C ATOM 629 CG LEU A 43 -3.077 5.807 7.093 1.00 0.00 C ATOM 630 CD1 LEU A 43 -2.625 7.198 7.513 1.00 0.00 C ATOM 631 CD2 LEU A 43 -3.757 5.856 5.730 1.00 0.00 C ATOM 0 H LEU A 43 -0.242 2.980 6.894 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.499 3.436 8.589 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.094 5.248 7.691 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.503 4.789 6.050 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.799 5.444 7.825 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.482 7.871 7.525 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.186 7.152 8.510 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.883 7.568 6.806 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.598 6.549 5.767 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.042 6.193 4.979 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.118 4.862 5.468 1.00 0.00 H new ATOM 643 N LEU A 44 -3.041 2.090 5.655 1.00 0.00 N ATOM 644 CA LEU A 44 -4.084 1.490 4.820 1.00 0.00 C ATOM 645 C LEU A 44 -4.362 0.036 5.207 1.00 0.00 C ATOM 646 O LEU A 44 -5.494 -0.422 5.086 1.00 0.00 O ATOM 647 CB LEU A 44 -3.738 1.598 3.324 1.00 0.00 C ATOM 648 CG LEU A 44 -2.376 1.039 2.893 1.00 0.00 C ATOM 649 CD1 LEU A 44 -2.399 -0.483 2.860 1.00 0.00 C ATOM 650 CD2 LEU A 44 -1.990 1.595 1.528 1.00 0.00 C ATOM 0 H LEU A 44 -2.087 1.901 5.346 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.997 2.058 5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.513 1.082 2.757 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.781 2.649 3.039 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.630 1.350 3.624 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.422 -0.855 2.552 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.636 -0.865 3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.156 -0.820 2.152 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.022 1.192 1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.742 1.310 0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.929 2.682 1.582 1.00 0.00 H new ATOM 662 N LYS A 45 -3.342 -0.692 5.668 1.00 0.00 N ATOM 663 CA LYS A 45 -3.531 -2.087 6.058 1.00 0.00 C ATOM 664 C LYS A 45 -3.966 -2.206 7.521 1.00 0.00 C ATOM 665 O LYS A 45 -5.114 -2.541 7.800 1.00 0.00 O ATOM 666 CB LYS A 45 -2.267 -2.920 5.798 1.00 0.00 C ATOM 667 CG LYS A 45 -0.954 -2.205 6.086 1.00 0.00 C ATOM 668 CD LYS A 45 0.062 -3.141 6.721 1.00 0.00 C ATOM 669 CE LYS A 45 1.461 -2.542 6.704 1.00 0.00 C ATOM 670 NZ LYS A 45 2.012 -2.370 8.077 1.00 0.00 N ATOM 0 H LYS A 45 -2.390 -0.343 5.779 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.331 -2.488 5.436 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.313 -3.822 6.408 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.268 -3.239 4.756 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.548 -1.800 5.159 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.137 -1.360 6.750 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.231 -3.354 7.749 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.066 -4.091 6.187 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.124 -3.186 6.126 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.435 -1.576 6.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.688 -1.580 8.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.236 -2.167 8.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.497 -3.243 8.368 1.00 0.00 H new ATOM 684 N THR A 46 -3.057 -1.929 8.453 1.00 0.00 N ATOM 685 CA THR A 46 -3.375 -2.013 9.881 1.00 0.00 C ATOM 686 C THR A 46 -4.644 -1.223 10.226 1.00 0.00 C ATOM 687 O THR A 46 -5.334 -1.544 11.193 1.00 0.00 O ATOM 688 CB THR A 46 -2.201 -1.513 10.728 1.00 0.00 C ATOM 689 OG1 THR A 46 -0.975 -2.044 10.251 1.00 0.00 O ATOM 690 CG2 THR A 46 -2.314 -1.879 12.194 1.00 0.00 C ATOM 0 H THR A 46 -2.099 -1.646 8.249 1.00 0.00 H new ATOM 0 HA THR A 46 -3.558 -3.063 10.111 1.00 0.00 H new ATOM 0 HB THR A 46 -2.228 -0.427 10.638 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.297 -1.987 10.957 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.449 -1.493 12.733 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.223 -1.444 12.609 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.351 -2.964 12.296 1.00 0.00 H new ATOM 698 N ASN A 47 -4.947 -0.191 9.433 1.00 0.00 N ATOM 699 CA ASN A 47 -6.130 0.632 9.667 1.00 0.00 C ATOM 700 C ASN A 47 -7.311 0.188 8.800 1.00 0.00 C ATOM 701 O ASN A 47 -8.460 0.240 9.243 1.00 0.00 O ATOM 702 CB ASN A 47 -5.812 2.105 9.403 1.00 0.00 C ATOM 703 CG ASN A 47 -6.135 2.988 10.593 1.00 0.00 C ATOM 704 OD1 ASN A 47 -5.275 3.263 11.429 1.00 0.00 O ATOM 705 ND2 ASN A 47 -7.382 3.435 10.677 1.00 0.00 N ATOM 0 H ASN A 47 -4.390 0.091 8.627 1.00 0.00 H new ATOM 0 HA ASN A 47 -6.416 0.505 10.711 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -4.756 2.207 9.154 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -6.378 2.446 8.536 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -7.659 4.031 11.457 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.064 3.182 9.961 1.00 0.00 H new ATOM 712 N TYR A 48 -7.035 -0.229 7.560 1.00 0.00 N ATOM 713 CA TYR A 48 -8.100 -0.655 6.649 1.00 0.00 C ATOM 714 C TYR A 48 -7.701 -1.875 5.811 1.00 0.00 C ATOM 715 O TYR A 48 -7.734 -1.829 4.579 1.00 0.00 O ATOM 716 CB TYR A 48 -8.486 0.502 5.723 1.00 0.00 C ATOM 717 CG TYR A 48 -9.368 1.537 6.381 1.00 0.00 C ATOM 718 CD1 TYR A 48 -10.751 1.414 6.350 1.00 0.00 C ATOM 719 CD2 TYR A 48 -8.818 2.635 7.026 1.00 0.00 C ATOM 720 CE1 TYR A 48 -11.561 2.360 6.947 1.00 0.00 C ATOM 721 CE2 TYR A 48 -9.621 3.584 7.625 1.00 0.00 C ATOM 722 CZ TYR A 48 -10.992 3.443 7.582 1.00 0.00 C ATOM 723 OH TYR A 48 -11.798 4.388 8.176 1.00 0.00 O ATOM 0 H TYR A 48 -6.095 -0.280 7.168 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.953 -0.945 7.263 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.578 0.987 5.363 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -9.001 0.101 4.850 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.199 0.567 5.852 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.745 2.749 7.060 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.635 2.252 6.916 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -9.178 4.433 8.125 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.241 5.085 8.580 1.00 0.00 H new ATOM 733 N VAL A 49 -7.334 -2.965 6.478 1.00 0.00 N ATOM 734 CA VAL A 49 -6.942 -4.192 5.779 1.00 0.00 C ATOM 735 C VAL A 49 -8.111 -5.168 5.656 1.00 0.00 C ATOM 736 O VAL A 49 -8.222 -5.883 4.661 1.00 0.00 O ATOM 737 CB VAL A 49 -5.752 -4.904 6.467 1.00 0.00 C ATOM 738 CG1 VAL A 49 -6.065 -5.235 7.922 1.00 0.00 C ATOM 739 CG2 VAL A 49 -5.362 -6.162 5.700 1.00 0.00 C ATOM 0 H VAL A 49 -7.299 -3.028 7.495 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.629 -3.882 4.782 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.906 -4.217 6.459 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.208 -5.734 8.374 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.278 -4.315 8.467 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.933 -5.893 7.967 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.524 -6.648 6.200 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.210 -6.846 5.667 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.072 -5.894 4.684 1.00 0.00 H new ATOM 749 N LYS A 50 -8.976 -5.204 6.671 1.00 0.00 N ATOM 750 CA LYS A 50 -10.128 -6.108 6.677 1.00 0.00 C ATOM 751 C LYS A 50 -9.691 -7.580 6.749 1.00 0.00 C ATOM 752 O LYS A 50 -10.517 -8.483 6.607 1.00 0.00 O ATOM 753 CB LYS A 50 -11.000 -5.877 5.434 1.00 0.00 C ATOM 754 CG LYS A 50 -12.302 -5.154 5.731 1.00 0.00 C ATOM 755 CD LYS A 50 -13.450 -5.690 4.890 1.00 0.00 C ATOM 756 CE LYS A 50 -14.569 -4.667 4.752 1.00 0.00 C ATOM 757 NZ LYS A 50 -15.918 -5.284 4.896 1.00 0.00 N ATOM 0 H LYS A 50 -8.900 -4.616 7.501 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.714 -5.887 7.569 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.432 -5.300 4.704 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.225 -6.839 4.974 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.545 -5.262 6.788 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.178 -4.088 5.539 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.081 -5.962 3.901 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.842 -6.599 5.346 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.444 -3.891 5.507 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.496 -4.180 3.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.648 -4.550 4.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -16.049 -6.007 4.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.999 -5.726 5.834 1.00 0.00 H new ATOM 771 N GLU A 51 -8.395 -7.812 6.969 1.00 0.00 N ATOM 772 CA GLU A 51 -7.852 -9.165 7.061 1.00 0.00 C ATOM 773 C GLU A 51 -6.721 -9.215 8.090 1.00 0.00 C ATOM 774 O GLU A 51 -6.549 -8.284 8.877 1.00 0.00 O ATOM 775 CB GLU A 51 -7.342 -9.622 5.687 1.00 0.00 C ATOM 776 CG GLU A 51 -7.801 -11.019 5.294 1.00 0.00 C ATOM 777 CD GLU A 51 -9.294 -11.090 5.034 1.00 0.00 C ATOM 778 OE1 GLU A 51 -9.731 -10.642 3.953 1.00 0.00 O ATOM 779 OE2 GLU A 51 -10.026 -11.590 5.915 1.00 0.00 O ATOM 0 H GLU A 51 -7.700 -7.074 7.087 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.645 -9.840 7.384 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.679 -8.913 4.931 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.252 -9.594 5.687 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.265 -11.336 4.400 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.540 -11.720 6.087 1.00 0.00 H new ATOM 786 N ARG A 52 -5.946 -10.303 8.079 1.00 0.00 N ATOM 787 CA ARG A 52 -4.829 -10.457 9.008 1.00 0.00 C ATOM 788 C ARG A 52 -3.647 -9.585 8.578 1.00 0.00 C ATOM 789 O ARG A 52 -3.009 -9.861 7.563 1.00 0.00 O ATOM 790 CB ARG A 52 -4.398 -11.928 9.084 1.00 0.00 C ATOM 791 CG ARG A 52 -4.078 -12.403 10.494 1.00 0.00 C ATOM 792 CD ARG A 52 -3.629 -13.856 10.502 1.00 0.00 C ATOM 793 NE ARG A 52 -4.751 -14.779 10.326 1.00 0.00 N ATOM 794 CZ ARG A 52 -4.628 -16.108 10.284 1.00 0.00 C ATOM 795 NH1 ARG A 52 -3.432 -16.678 10.405 1.00 0.00 N ATOM 796 NH2 ARG A 52 -5.703 -16.869 10.122 1.00 0.00 N ATOM 0 H ARG A 52 -6.073 -11.087 7.438 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.158 -10.134 9.996 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.192 -12.551 8.672 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.520 -12.073 8.454 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.295 -11.776 10.922 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.958 -12.289 11.126 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.901 -14.015 9.706 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.125 -14.074 11.443 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.686 -14.382 10.229 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.602 -16.099 10.531 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.345 -17.694 10.372 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.623 -16.439 10.030 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.609 -17.884 10.090 1.00 0.00 H new ATOM 810 N PRO A 53 -3.327 -8.520 9.343 1.00 0.00 N ATOM 811 CA PRO A 53 -2.208 -7.626 9.016 1.00 0.00 C ATOM 812 C PRO A 53 -0.869 -8.359 8.964 1.00 0.00 C ATOM 813 O PRO A 53 0.081 -7.884 8.339 1.00 0.00 O ATOM 814 CB PRO A 53 -2.206 -6.595 10.153 1.00 0.00 C ATOM 815 CG PRO A 53 -3.006 -7.216 11.247 1.00 0.00 C ATOM 816 CD PRO A 53 -4.016 -8.105 10.576 1.00 0.00 C ATOM 0 HA PRO A 53 -2.332 -7.183 8.028 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.191 -6.376 10.484 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.647 -5.652 9.830 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -2.367 -7.790 11.918 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.499 -6.453 11.850 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.278 -8.960 11.199 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.942 -7.572 10.361 1.00 0.00 H new ATOM 824 N ASP A 54 -0.795 -9.516 9.623 1.00 0.00 N ATOM 825 CA ASP A 54 0.430 -10.308 9.648 1.00 0.00 C ATOM 826 C ASP A 54 0.503 -11.303 8.483 1.00 0.00 C ATOM 827 O ASP A 54 1.426 -12.114 8.418 1.00 0.00 O ATOM 828 CB ASP A 54 0.540 -11.059 10.975 1.00 0.00 C ATOM 829 CG ASP A 54 1.960 -11.080 11.503 1.00 0.00 C ATOM 830 OD1 ASP A 54 2.352 -10.113 12.189 1.00 0.00 O ATOM 831 OD2 ASP A 54 2.682 -12.061 11.226 1.00 0.00 O ATOM 0 H ASP A 54 -1.570 -9.923 10.146 1.00 0.00 H new ATOM 0 HA ASP A 54 1.265 -9.616 9.542 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.113 -10.590 11.711 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.188 -12.082 10.842 1.00 0.00 H new ATOM 836 N LEU A 55 -0.463 -11.243 7.563 1.00 0.00 N ATOM 837 CA LEU A 55 -0.475 -12.153 6.417 1.00 0.00 C ATOM 838 C LEU A 55 0.180 -11.515 5.187 1.00 0.00 C ATOM 839 O LEU A 55 0.704 -12.222 4.325 1.00 0.00 O ATOM 840 CB LEU A 55 -1.909 -12.594 6.094 1.00 0.00 C ATOM 841 CG LEU A 55 -2.758 -11.590 5.307 1.00 0.00 C ATOM 842 CD1 LEU A 55 -2.596 -11.802 3.812 1.00 0.00 C ATOM 843 CD2 LEU A 55 -4.222 -11.705 5.701 1.00 0.00 C ATOM 0 H LEU A 55 -1.239 -10.581 7.589 1.00 0.00 H new ATOM 0 HA LEU A 55 0.110 -13.033 6.686 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.863 -13.524 5.528 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.420 -12.816 7.031 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.410 -10.586 5.551 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.208 -11.078 3.273 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.550 -11.669 3.537 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.914 -12.811 3.551 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.810 -10.984 5.132 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.578 -12.713 5.488 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.329 -11.500 6.766 1.00 0.00 H new ATOM 855 N LEU A 56 0.149 -10.182 5.111 1.00 0.00 N ATOM 856 CA LEU A 56 0.743 -9.470 3.979 1.00 0.00 C ATOM 857 C LEU A 56 2.159 -9.005 4.284 1.00 0.00 C ATOM 858 O LEU A 56 3.052 -9.144 3.454 1.00 0.00 O ATOM 859 CB LEU A 56 -0.107 -8.261 3.565 1.00 0.00 C ATOM 860 CG LEU A 56 -0.757 -7.471 4.705 1.00 0.00 C ATOM 861 CD1 LEU A 56 -0.930 -6.013 4.309 1.00 0.00 C ATOM 862 CD2 LEU A 56 -2.100 -8.081 5.085 1.00 0.00 C ATOM 0 H LEU A 56 -0.278 -9.579 5.814 1.00 0.00 H new ATOM 0 HA LEU A 56 0.777 -10.181 3.154 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.522 -7.580 2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.894 -8.608 2.896 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.100 -7.520 5.574 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.393 -5.466 5.130 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.045 -5.578 4.087 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.566 -5.949 3.426 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.545 -7.505 5.896 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.765 -8.064 4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.953 -9.111 5.410 1.00 0.00 H new ATOM 874 N VAL A 57 2.360 -8.439 5.472 1.00 0.00 N ATOM 875 CA VAL A 57 3.676 -7.945 5.868 1.00 0.00 C ATOM 876 C VAL A 57 4.744 -9.023 5.740 1.00 0.00 C ATOM 877 O VAL A 57 4.466 -10.216 5.884 1.00 0.00 O ATOM 878 CB VAL A 57 3.690 -7.407 7.313 1.00 0.00 C ATOM 879 CG1 VAL A 57 3.003 -6.053 7.384 1.00 0.00 C ATOM 880 CG2 VAL A 57 3.051 -8.405 8.271 1.00 0.00 C ATOM 0 H VAL A 57 1.631 -8.312 6.174 1.00 0.00 H new ATOM 0 HA VAL A 57 3.900 -7.126 5.185 1.00 0.00 H new ATOM 0 HB VAL A 57 4.727 -7.274 7.621 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.022 -5.689 8.411 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.524 -5.346 6.738 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.969 -6.152 7.053 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.073 -8.003 9.284 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.018 -8.584 7.974 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.605 -9.343 8.241 1.00 0.00 H new ATOM 890 N ASP A 58 5.970 -8.585 5.475 1.00 0.00 N ATOM 891 CA ASP A 58 7.104 -9.491 5.332 1.00 0.00 C ATOM 892 C ASP A 58 7.367 -10.224 6.645 1.00 0.00 C ATOM 893 O ASP A 58 7.311 -11.453 6.700 1.00 0.00 O ATOM 894 CB ASP A 58 8.352 -8.710 4.905 1.00 0.00 C ATOM 895 CG ASP A 58 9.531 -9.613 4.600 1.00 0.00 C ATOM 896 OD1 ASP A 58 10.112 -10.177 5.553 1.00 0.00 O ATOM 897 OD2 ASP A 58 9.876 -9.754 3.411 1.00 0.00 O ATOM 0 H ASP A 58 6.205 -7.600 5.354 1.00 0.00 H new ATOM 0 HA ASP A 58 6.868 -10.227 4.563 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.118 -8.114 4.023 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.628 -8.013 5.697 1.00 0.00 H new ATOM 902 N GLN A 59 7.639 -9.456 7.700 1.00 0.00 N ATOM 903 CA GLN A 59 7.896 -10.026 9.021 1.00 0.00 C ATOM 904 C GLN A 59 7.980 -8.939 10.089 1.00 0.00 C ATOM 905 O GLN A 59 7.416 -9.083 11.175 1.00 0.00 O ATOM 906 CB GLN A 59 9.188 -10.853 9.017 1.00 0.00 C ATOM 907 CG GLN A 59 8.953 -12.357 9.059 1.00 0.00 C ATOM 908 CD GLN A 59 9.895 -13.071 10.013 1.00 0.00 C ATOM 909 OE1 GLN A 59 9.702 -13.046 11.228 1.00 0.00 O ATOM 910 NE2 GLN A 59 10.920 -13.716 9.464 1.00 0.00 N ATOM 0 H GLN A 59 7.687 -8.438 7.665 1.00 0.00 H new ATOM 0 HA GLN A 59 7.058 -10.680 9.261 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.762 -10.609 8.123 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.796 -10.565 9.875 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.923 -12.551 9.358 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.077 -12.768 8.057 1.00 0.00 H new ATOM 0 HE21 GLN A 59 11.042 -13.711 8.451 1.00 0.00 H new ATOM 0 HE22 GLN A 59 11.584 -14.216 10.055 1.00 0.00 H new ATOM 919 N THR A 60 8.682 -7.854 9.776 1.00 0.00 N ATOM 920 CA THR A 60 8.836 -6.744 10.710 1.00 0.00 C ATOM 921 C THR A 60 7.641 -5.784 10.656 1.00 0.00 C ATOM 922 O THR A 60 7.672 -4.719 11.274 1.00 0.00 O ATOM 923 CB THR A 60 10.136 -5.987 10.413 1.00 0.00 C ATOM 924 OG1 THR A 60 10.089 -5.394 9.128 1.00 0.00 O ATOM 925 CG2 THR A 60 11.371 -6.866 10.464 1.00 0.00 C ATOM 0 H THR A 60 9.154 -7.720 8.882 1.00 0.00 H new ATOM 0 HA THR A 60 8.879 -7.160 11.717 1.00 0.00 H new ATOM 0 HB THR A 60 10.213 -5.233 11.197 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.927 -4.914 8.958 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.254 -6.266 10.244 1.00 0.00 H new ATOM 0 HG22 THR A 60 11.467 -7.302 11.459 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.281 -7.663 9.726 1.00 0.00 H new ATOM 933 N GLY A 61 6.590 -6.161 9.914 1.00 0.00 N ATOM 934 CA GLY A 61 5.417 -5.312 9.802 1.00 0.00 C ATOM 935 C GLY A 61 5.750 -3.930 9.273 1.00 0.00 C ATOM 936 O GLY A 61 5.038 -2.962 9.545 1.00 0.00 O ATOM 0 H GLY A 61 6.536 -7.036 9.393 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.691 -5.786 9.141 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.945 -5.219 10.780 1.00 0.00 H new ATOM 940 N GLN A 62 6.844 -3.842 8.517 1.00 0.00 N ATOM 941 CA GLN A 62 7.289 -2.573 7.944 1.00 0.00 C ATOM 942 C GLN A 62 7.215 -2.606 6.416 1.00 0.00 C ATOM 943 O GLN A 62 6.865 -1.610 5.783 1.00 0.00 O ATOM 944 CB GLN A 62 8.720 -2.262 8.398 1.00 0.00 C ATOM 945 CG GLN A 62 9.091 -0.788 8.295 1.00 0.00 C ATOM 946 CD GLN A 62 10.136 -0.513 7.227 1.00 0.00 C ATOM 947 OE1 GLN A 62 10.773 -1.431 6.711 1.00 0.00 O ATOM 948 NE2 GLN A 62 10.320 0.760 6.894 1.00 0.00 N ATOM 0 H GLN A 62 7.440 -4.637 8.287 1.00 0.00 H new ATOM 0 HA GLN A 62 6.624 -1.786 8.300 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.842 -2.586 9.431 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.417 -2.845 7.796 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.195 -0.208 8.077 1.00 0.00 H new ATOM 0 HG3 GLN A 62 9.466 -0.445 9.259 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.770 1.490 7.347 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.011 1.007 6.186 1.00 0.00 H new ATOM 957 N THR A 63 7.538 -3.762 5.839 1.00 0.00 N ATOM 958 CA THR A 63 7.503 -3.947 4.391 1.00 0.00 C ATOM 959 C THR A 63 6.668 -5.179 4.047 1.00 0.00 C ATOM 960 O THR A 63 6.707 -6.174 4.771 1.00 0.00 O ATOM 961 CB THR A 63 8.927 -4.086 3.834 1.00 0.00 C ATOM 962 OG1 THR A 63 8.913 -4.194 2.419 1.00 0.00 O ATOM 963 CG2 THR A 63 9.679 -5.284 4.387 1.00 0.00 C ATOM 0 H THR A 63 7.829 -4.590 6.358 1.00 0.00 H new ATOM 0 HA THR A 63 7.043 -3.072 3.932 1.00 0.00 H new ATOM 0 HB THR A 63 9.444 -3.180 4.150 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.832 -4.280 2.088 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.677 -5.320 3.950 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.760 -5.194 5.470 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.141 -6.198 4.138 1.00 0.00 H new ATOM 971 N LEU A 64 5.906 -5.107 2.956 1.00 0.00 N ATOM 972 CA LEU A 64 5.059 -6.225 2.542 1.00 0.00 C ATOM 973 C LEU A 64 5.899 -7.431 2.130 1.00 0.00 C ATOM 974 O LEU A 64 7.060 -7.290 1.741 1.00 0.00 O ATOM 975 CB LEU A 64 4.141 -5.813 1.387 1.00 0.00 C ATOM 976 CG LEU A 64 2.859 -5.075 1.791 1.00 0.00 C ATOM 977 CD1 LEU A 64 1.865 -5.082 0.642 1.00 0.00 C ATOM 978 CD2 LEU A 64 2.238 -5.701 3.035 1.00 0.00 C ATOM 0 H LEU A 64 5.858 -4.291 2.346 1.00 0.00 H new ATOM 0 HA LEU A 64 4.446 -6.506 3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.706 -5.176 0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.864 -6.708 0.830 1.00 0.00 H new ATOM 0 HG LEU A 64 3.119 -4.043 2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.959 -4.555 0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.305 -4.585 -0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.617 -6.111 0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.330 -5.159 3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.992 -6.744 2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.947 -5.648 3.861 1.00 0.00 H new ATOM 990 N ARG A 65 5.301 -8.619 2.217 1.00 0.00 N ATOM 991 CA ARG A 65 5.992 -9.856 1.854 1.00 0.00 C ATOM 992 C ARG A 65 6.430 -9.832 0.386 1.00 0.00 C ATOM 993 O ARG A 65 5.786 -9.198 -0.452 1.00 0.00 O ATOM 994 CB ARG A 65 5.095 -11.075 2.115 1.00 0.00 C ATOM 995 CG ARG A 65 3.795 -11.075 1.320 1.00 0.00 C ATOM 996 CD ARG A 65 3.558 -12.407 0.624 1.00 0.00 C ATOM 997 NE ARG A 65 3.349 -13.501 1.576 1.00 0.00 N ATOM 998 CZ ARG A 65 2.789 -14.672 1.257 1.00 0.00 C ATOM 999 NH1 ARG A 65 2.373 -14.904 0.015 1.00 0.00 N ATOM 1000 NH2 ARG A 65 2.642 -15.613 2.183 1.00 0.00 N ATOM 0 H ARG A 65 4.341 -8.751 2.535 1.00 0.00 H new ATOM 0 HA ARG A 65 6.882 -9.934 2.478 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.653 -11.980 1.877 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.858 -11.117 3.178 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.961 -10.860 1.988 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.823 -10.277 0.578 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.688 -12.324 -0.028 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.412 -12.640 -0.012 1.00 0.00 H new ATOM 0 HE ARG A 65 3.649 -13.360 2.541 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.480 -14.186 -0.701 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.947 -15.800 -0.221 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.957 -15.442 3.138 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.215 -16.506 1.939 1.00 0.00 H new ATOM 1014 N PRO A 66 7.537 -10.531 0.060 1.00 0.00 N ATOM 1015 CA PRO A 66 8.071 -10.598 -1.311 1.00 0.00 C ATOM 1016 C PRO A 66 7.021 -11.017 -2.335 1.00 0.00 C ATOM 1017 O PRO A 66 7.056 -10.573 -3.484 1.00 0.00 O ATOM 1018 CB PRO A 66 9.168 -11.661 -1.211 1.00 0.00 C ATOM 1019 CG PRO A 66 9.597 -11.624 0.214 1.00 0.00 C ATOM 1020 CD PRO A 66 8.355 -11.314 1.004 1.00 0.00 C ATOM 0 HA PRO A 66 8.423 -9.625 -1.653 1.00 0.00 H new ATOM 0 HB2 PRO A 66 8.792 -12.646 -1.486 1.00 0.00 H new ATOM 0 HB3 PRO A 66 9.998 -11.438 -1.881 1.00 0.00 H new ATOM 0 HG2 PRO A 66 10.027 -12.578 0.519 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.362 -10.864 0.373 1.00 0.00 H new ATOM 0 HD2 PRO A 66 7.843 -12.223 1.321 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.583 -10.745 1.905 1.00 0.00 H new ATOM 1028 N GLY A 67 6.088 -11.868 -1.907 1.00 0.00 N ATOM 1029 CA GLY A 67 5.031 -12.333 -2.790 1.00 0.00 C ATOM 1030 C GLY A 67 4.327 -11.197 -3.520 1.00 0.00 C ATOM 1031 O GLY A 67 3.948 -11.344 -4.682 1.00 0.00 O ATOM 0 H GLY A 67 6.047 -12.244 -0.960 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.452 -13.022 -3.522 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.299 -12.894 -2.209 1.00 0.00 H new ATOM 1035 N ILE A 68 4.163 -10.060 -2.840 1.00 0.00 N ATOM 1036 CA ILE A 68 3.511 -8.897 -3.441 1.00 0.00 C ATOM 1037 C ILE A 68 4.547 -7.882 -3.920 1.00 0.00 C ATOM 1038 O ILE A 68 5.512 -7.586 -3.214 1.00 0.00 O ATOM 1039 CB ILE A 68 2.555 -8.198 -2.448 1.00 0.00 C ATOM 1040 CG1 ILE A 68 1.592 -9.207 -1.816 1.00 0.00 C ATOM 1041 CG2 ILE A 68 1.777 -7.091 -3.147 1.00 0.00 C ATOM 1042 CD1 ILE A 68 1.383 -8.987 -0.334 1.00 0.00 C ATOM 0 H ILE A 68 4.471 -9.921 -1.878 1.00 0.00 H new ATOM 0 HA ILE A 68 2.932 -9.265 -4.288 1.00 0.00 H new ATOM 0 HB ILE A 68 3.156 -7.755 -1.654 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.630 -9.148 -2.324 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.976 -10.215 -1.976 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.109 -6.609 -2.433 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.473 -6.354 -3.547 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.192 -7.517 -3.962 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.690 -9.735 0.051 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.337 -9.075 0.185 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.970 -7.992 -0.169 1.00 0.00 H new ATOM 1054 N LEU A 69 4.339 -7.354 -5.125 1.00 0.00 N ATOM 1055 CA LEU A 69 5.251 -6.371 -5.699 1.00 0.00 C ATOM 1056 C LEU A 69 4.644 -4.973 -5.650 1.00 0.00 C ATOM 1057 O LEU A 69 3.751 -4.645 -6.436 1.00 0.00 O ATOM 1058 CB LEU A 69 5.597 -6.747 -7.145 1.00 0.00 C ATOM 1059 CG LEU A 69 7.016 -7.281 -7.354 1.00 0.00 C ATOM 1060 CD1 LEU A 69 7.251 -8.532 -6.520 1.00 0.00 C ATOM 1061 CD2 LEU A 69 7.260 -7.568 -8.830 1.00 0.00 C ATOM 0 H LEU A 69 3.546 -7.592 -5.721 1.00 0.00 H new ATOM 0 HA LEU A 69 6.166 -6.368 -5.106 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.888 -7.500 -7.488 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.459 -5.869 -7.776 1.00 0.00 H new ATOM 0 HG LEU A 69 7.722 -6.518 -7.026 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.266 -8.894 -6.685 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.117 -8.296 -5.464 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.539 -9.304 -6.813 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.273 -7.947 -8.964 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.545 -8.313 -9.179 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.137 -6.650 -9.404 1.00 0.00 H new ATOM 1073 N VAL A 70 5.136 -4.150 -4.723 1.00 0.00 N ATOM 1074 CA VAL A 70 4.645 -2.781 -4.574 1.00 0.00 C ATOM 1075 C VAL A 70 5.220 -1.872 -5.658 1.00 0.00 C ATOM 1076 O VAL A 70 6.420 -1.906 -5.940 1.00 0.00 O ATOM 1077 CB VAL A 70 4.977 -2.192 -3.184 1.00 0.00 C ATOM 1078 CG1 VAL A 70 4.116 -2.836 -2.107 1.00 0.00 C ATOM 1079 CG2 VAL A 70 6.456 -2.352 -2.858 1.00 0.00 C ATOM 0 H VAL A 70 5.872 -4.407 -4.066 1.00 0.00 H new ATOM 0 HA VAL A 70 3.561 -2.828 -4.676 1.00 0.00 H new ATOM 0 HB VAL A 70 4.753 -1.125 -3.210 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.366 -2.407 -1.137 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.064 -2.653 -2.325 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.301 -3.910 -2.087 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.660 -1.929 -1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.716 -3.410 -2.858 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.052 -1.832 -3.608 1.00 0.00 H new ATOM 1089 N LEU A 71 4.351 -1.067 -6.267 1.00 0.00 N ATOM 1090 CA LEU A 71 4.760 -0.151 -7.331 1.00 0.00 C ATOM 1091 C LEU A 71 4.381 1.293 -7.005 1.00 0.00 C ATOM 1092 O LEU A 71 3.435 1.542 -6.253 1.00 0.00 O ATOM 1093 CB LEU A 71 4.116 -0.559 -8.659 1.00 0.00 C ATOM 1094 CG LEU A 71 4.163 -2.054 -8.979 1.00 0.00 C ATOM 1095 CD1 LEU A 71 3.387 -2.343 -10.256 1.00 0.00 C ATOM 1096 CD2 LEU A 71 5.606 -2.529 -9.107 1.00 0.00 C ATOM 0 H LEU A 71 3.357 -1.030 -6.041 1.00 0.00 H new ATOM 0 HA LEU A 71 5.845 -0.211 -7.415 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.074 -0.239 -8.652 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.610 -0.017 -9.465 1.00 0.00 H new ATOM 0 HG LEU A 71 3.697 -2.601 -8.159 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.428 -3.410 -10.473 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.348 -2.038 -10.127 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.828 -1.787 -11.083 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.619 -3.595 -9.335 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.100 -1.980 -9.909 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.132 -2.352 -8.169 1.00 0.00 H new ATOM 1108 N VAL A 72 5.121 2.237 -7.585 1.00 0.00 N ATOM 1109 CA VAL A 72 4.864 3.659 -7.375 1.00 0.00 C ATOM 1110 C VAL A 72 4.708 4.381 -8.711 1.00 0.00 C ATOM 1111 O VAL A 72 5.662 4.483 -9.486 1.00 0.00 O ATOM 1112 CB VAL A 72 5.992 4.332 -6.565 1.00 0.00 C ATOM 1113 CG1 VAL A 72 5.624 5.770 -6.220 1.00 0.00 C ATOM 1114 CG2 VAL A 72 6.294 3.540 -5.302 1.00 0.00 C ATOM 0 H VAL A 72 5.906 2.040 -8.206 1.00 0.00 H new ATOM 0 HA VAL A 72 3.937 3.734 -6.806 1.00 0.00 H new ATOM 0 HB VAL A 72 6.890 4.347 -7.182 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.433 6.226 -5.649 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.465 6.335 -7.138 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.710 5.779 -5.626 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.092 4.032 -4.746 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.399 3.488 -4.682 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.608 2.531 -5.571 1.00 0.00 H new ATOM 1124 N ASN A 73 3.496 4.872 -8.975 1.00 0.00 N ATOM 1125 CA ASN A 73 3.194 5.580 -10.221 1.00 0.00 C ATOM 1126 C ASN A 73 3.487 4.697 -11.438 1.00 0.00 C ATOM 1127 O ASN A 73 4.047 5.158 -12.435 1.00 0.00 O ATOM 1128 CB ASN A 73 3.992 6.888 -10.306 1.00 0.00 C ATOM 1129 CG ASN A 73 3.337 8.014 -9.526 1.00 0.00 C ATOM 1130 OD1 ASN A 73 3.560 8.159 -8.324 1.00 0.00 O ATOM 1131 ND2 ASN A 73 2.522 8.816 -10.205 1.00 0.00 N ATOM 0 H ASN A 73 2.703 4.792 -8.339 1.00 0.00 H new ATOM 0 HA ASN A 73 2.131 5.820 -10.222 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.999 6.722 -9.924 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.092 7.183 -11.351 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.053 9.588 -9.730 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.366 8.660 -11.201 1.00 0.00 H new ATOM 1138 N SER A 74 3.097 3.423 -11.343 1.00 0.00 N ATOM 1139 CA SER A 74 3.307 2.462 -12.424 1.00 0.00 C ATOM 1140 C SER A 74 4.788 2.356 -12.798 1.00 0.00 C ATOM 1141 O SER A 74 5.153 2.446 -13.973 1.00 0.00 O ATOM 1142 CB SER A 74 2.477 2.852 -13.650 1.00 0.00 C ATOM 1143 OG SER A 74 1.169 2.311 -13.575 1.00 0.00 O ATOM 0 H SER A 74 2.632 3.034 -10.523 1.00 0.00 H new ATOM 0 HA SER A 74 2.981 1.484 -12.070 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.421 3.938 -13.724 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.970 2.496 -14.555 1.00 0.00 H new ATOM 0 HG SER A 74 0.659 2.576 -14.369 1.00 0.00 H new ATOM 1149 N CYS A 75 5.636 2.156 -11.790 1.00 0.00 N ATOM 1150 CA CYS A 75 7.074 2.027 -12.011 1.00 0.00 C ATOM 1151 C CYS A 75 7.663 0.959 -11.090 1.00 0.00 C ATOM 1152 O CYS A 75 7.896 -0.173 -11.519 1.00 0.00 O ATOM 1153 CB CYS A 75 7.773 3.375 -11.791 1.00 0.00 C ATOM 1154 SG CYS A 75 9.570 3.316 -11.992 1.00 0.00 S ATOM 0 H CYS A 75 5.352 2.080 -10.813 1.00 0.00 H new ATOM 0 HA CYS A 75 7.239 1.719 -13.043 1.00 0.00 H new ATOM 0 HB2 CYS A 75 7.363 4.103 -12.491 1.00 0.00 H new ATOM 0 HB3 CYS A 75 7.542 3.733 -10.788 1.00 0.00 H new ATOM 0 HG CYS A 75 10.068 4.499 -11.789 1.00 0.00 H new ATOM 1160 N ASP A 76 7.893 1.321 -9.825 1.00 0.00 N ATOM 1161 CA ASP A 76 8.446 0.390 -8.839 1.00 0.00 C ATOM 1162 C ASP A 76 8.662 1.083 -7.498 1.00 0.00 C ATOM 1163 O ASP A 76 9.234 2.173 -7.438 1.00 0.00 O ATOM 1164 CB ASP A 76 9.769 -0.204 -9.327 1.00 0.00 C ATOM 1165 CG ASP A 76 9.820 -1.709 -9.160 1.00 0.00 C ATOM 1166 OD1 ASP A 76 10.094 -2.172 -8.033 1.00 0.00 O ATOM 1167 OD2 ASP A 76 9.585 -2.425 -10.157 1.00 0.00 O ATOM 0 H ASP A 76 7.704 2.254 -9.459 1.00 0.00 H new ATOM 0 HA ASP A 76 7.724 -0.416 -8.709 1.00 0.00 H new ATOM 0 HB2 ASP A 76 9.912 0.048 -10.378 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.593 0.249 -8.776 1.00 0.00 H new ATOM 1172 N ALA A 77 8.209 0.441 -6.424 1.00 0.00 N ATOM 1173 CA ALA A 77 8.364 0.995 -5.082 1.00 0.00 C ATOM 1174 C ALA A 77 9.688 0.574 -4.451 1.00 0.00 C ATOM 1175 O ALA A 77 10.206 1.262 -3.572 1.00 0.00 O ATOM 1176 CB ALA A 77 7.200 0.581 -4.195 1.00 0.00 C ATOM 0 H ALA A 77 7.733 -0.461 -6.457 1.00 0.00 H new ATOM 0 HA ALA A 77 8.368 2.081 -5.173 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.333 1.003 -3.199 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.268 0.949 -4.623 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.164 -0.506 -4.126 1.00 0.00 H new ATOM 1182 N GLU A 78 10.235 -0.558 -4.901 1.00 0.00 N ATOM 1183 CA GLU A 78 11.496 -1.061 -4.375 1.00 0.00 C ATOM 1184 C GLU A 78 12.675 -0.344 -5.017 1.00 0.00 C ATOM 1185 O GLU A 78 13.663 -0.040 -4.348 1.00 0.00 O ATOM 1186 CB GLU A 78 11.612 -2.570 -4.607 1.00 0.00 C ATOM 1187 CG GLU A 78 10.407 -3.357 -4.114 1.00 0.00 C ATOM 1188 CD GLU A 78 10.772 -4.393 -3.068 1.00 0.00 C ATOM 1189 OE1 GLU A 78 11.000 -4.005 -1.902 1.00 0.00 O ATOM 1190 OE2 GLU A 78 10.828 -5.591 -3.415 1.00 0.00 O ATOM 0 H GLU A 78 9.820 -1.140 -5.629 1.00 0.00 H new ATOM 0 HA GLU A 78 11.514 -0.867 -3.303 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.745 -2.756 -5.673 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.506 -2.939 -4.105 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.674 -2.667 -3.696 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.931 -3.853 -4.960 1.00 0.00 H new ATOM 1197 N VAL A 79 12.568 -0.067 -6.318 1.00 0.00 N ATOM 1198 CA VAL A 79 13.632 0.622 -7.036 1.00 0.00 C ATOM 1199 C VAL A 79 13.920 1.988 -6.407 1.00 0.00 C ATOM 1200 O VAL A 79 15.073 2.414 -6.333 1.00 0.00 O ATOM 1201 CB VAL A 79 13.288 0.807 -8.527 1.00 0.00 C ATOM 1202 CG1 VAL A 79 14.416 1.527 -9.253 1.00 0.00 C ATOM 1203 CG2 VAL A 79 12.997 -0.536 -9.184 1.00 0.00 C ATOM 0 H VAL A 79 11.759 -0.309 -6.890 1.00 0.00 H new ATOM 0 HA VAL A 79 14.521 -0.004 -6.962 1.00 0.00 H new ATOM 0 HB VAL A 79 12.390 1.421 -8.596 1.00 0.00 H new ATOM 0 HG11 VAL A 79 14.154 1.648 -10.304 1.00 0.00 H new ATOM 0 HG12 VAL A 79 14.571 2.507 -8.803 1.00 0.00 H new ATOM 0 HG13 VAL A 79 15.332 0.942 -9.173 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.757 -0.382 -10.236 1.00 0.00 H new ATOM 0 HG22 VAL A 79 13.874 -1.179 -9.102 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.152 -1.010 -8.684 1.00 0.00 H new ATOM 1213 N VAL A 80 12.864 2.667 -5.952 1.00 0.00 N ATOM 1214 CA VAL A 80 13.011 3.979 -5.324 1.00 0.00 C ATOM 1215 C VAL A 80 13.436 3.856 -3.859 1.00 0.00 C ATOM 1216 O VAL A 80 14.157 4.712 -3.343 1.00 0.00 O ATOM 1217 CB VAL A 80 11.711 4.811 -5.407 1.00 0.00 C ATOM 1218 CG1 VAL A 80 11.458 5.259 -6.839 1.00 0.00 C ATOM 1219 CG2 VAL A 80 10.521 4.026 -4.865 1.00 0.00 C ATOM 0 H VAL A 80 11.903 2.330 -6.007 1.00 0.00 H new ATOM 0 HA VAL A 80 13.792 4.496 -5.882 1.00 0.00 H new ATOM 0 HB VAL A 80 11.834 5.698 -4.785 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.539 5.844 -6.880 1.00 0.00 H new ATOM 0 HG12 VAL A 80 12.293 5.870 -7.182 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.361 4.384 -7.482 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.620 4.636 -4.936 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.389 3.115 -5.449 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.702 3.765 -3.822 1.00 0.00 H new ATOM 1229 N GLY A 81 12.984 2.792 -3.191 1.00 0.00 N ATOM 1230 CA GLY A 81 13.330 2.589 -1.795 1.00 0.00 C ATOM 1231 C GLY A 81 12.882 1.239 -1.259 1.00 0.00 C ATOM 1232 O GLY A 81 13.699 0.465 -0.756 1.00 0.00 O ATOM 0 H GLY A 81 12.386 2.070 -3.593 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.410 2.679 -1.678 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.877 3.379 -1.196 1.00 0.00 H new ATOM 1236 N GLY A 82 11.583 0.956 -1.364 1.00 0.00 N ATOM 1237 CA GLY A 82 11.044 -0.305 -0.880 1.00 0.00 C ATOM 1238 C GLY A 82 10.166 -0.123 0.342 1.00 0.00 C ATOM 1239 O GLY A 82 8.993 -0.500 0.332 1.00 0.00 O ATOM 0 H GLY A 82 10.892 1.582 -1.778 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.466 -0.779 -1.673 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.865 -0.980 -0.638 1.00 0.00 H new ATOM 1243 N MET A 83 10.737 0.458 1.393 1.00 0.00 N ATOM 1244 CA MET A 83 10.003 0.696 2.634 1.00 0.00 C ATOM 1245 C MET A 83 10.405 2.030 3.279 1.00 0.00 C ATOM 1246 O MET A 83 10.216 2.224 4.482 1.00 0.00 O ATOM 1247 CB MET A 83 10.240 -0.459 3.616 1.00 0.00 C ATOM 1248 CG MET A 83 11.710 -0.741 3.899 1.00 0.00 C ATOM 1249 SD MET A 83 12.077 -2.505 3.983 1.00 0.00 S ATOM 1250 CE MET A 83 12.889 -2.756 2.407 1.00 0.00 C ATOM 0 H MET A 83 11.707 0.773 1.411 1.00 0.00 H new ATOM 0 HA MET A 83 8.942 0.750 2.390 1.00 0.00 H new ATOM 0 HB2 MET A 83 9.737 -0.232 4.556 1.00 0.00 H new ATOM 0 HB3 MET A 83 9.778 -1.362 3.217 1.00 0.00 H new ATOM 0 HG2 MET A 83 12.320 -0.284 3.120 1.00 0.00 H new ATOM 0 HG3 MET A 83 11.991 -0.270 4.841 1.00 0.00 H new ATOM 0 HE1 MET A 83 13.177 -3.803 2.309 1.00 0.00 H new ATOM 0 HE2 MET A 83 12.206 -2.491 1.600 1.00 0.00 H new ATOM 0 HE3 MET A 83 13.778 -2.128 2.352 1.00 0.00 H new ATOM 1260 N ASP A 84 10.959 2.949 2.479 1.00 0.00 N ATOM 1261 CA ASP A 84 11.382 4.250 2.990 1.00 0.00 C ATOM 1262 C ASP A 84 10.961 5.398 2.065 1.00 0.00 C ATOM 1263 O ASP A 84 11.532 6.489 2.123 1.00 0.00 O ATOM 1264 CB ASP A 84 12.900 4.267 3.174 1.00 0.00 C ATOM 1265 CG ASP A 84 13.330 5.183 4.300 1.00 0.00 C ATOM 1266 OD1 ASP A 84 13.228 4.770 5.473 1.00 0.00 O ATOM 1267 OD2 ASP A 84 13.763 6.317 4.009 1.00 0.00 O ATOM 0 H ASP A 84 11.122 2.813 1.481 1.00 0.00 H new ATOM 0 HA ASP A 84 10.888 4.401 3.950 1.00 0.00 H new ATOM 0 HB2 ASP A 84 13.251 3.255 3.377 1.00 0.00 H new ATOM 0 HB3 ASP A 84 13.373 4.588 2.246 1.00 0.00 H new ATOM 1272 N TYR A 85 9.964 5.153 1.214 1.00 0.00 N ATOM 1273 CA TYR A 85 9.484 6.174 0.286 1.00 0.00 C ATOM 1274 C TYR A 85 8.639 7.228 1.007 1.00 0.00 C ATOM 1275 O TYR A 85 7.556 6.932 1.516 1.00 0.00 O ATOM 1276 CB TYR A 85 8.671 5.525 -0.833 1.00 0.00 C ATOM 1277 CG TYR A 85 8.291 6.483 -1.934 1.00 0.00 C ATOM 1278 CD1 TYR A 85 7.173 7.296 -1.813 1.00 0.00 C ATOM 1279 CD2 TYR A 85 9.053 6.577 -3.090 1.00 0.00 C ATOM 1280 CE1 TYR A 85 6.823 8.175 -2.815 1.00 0.00 C ATOM 1281 CE2 TYR A 85 8.709 7.456 -4.099 1.00 0.00 C ATOM 1282 CZ TYR A 85 7.593 8.253 -3.957 1.00 0.00 C ATOM 1283 OH TYR A 85 7.250 9.131 -4.962 1.00 0.00 O ATOM 0 H TYR A 85 9.476 4.260 1.149 1.00 0.00 H new ATOM 0 HA TYR A 85 10.352 6.674 -0.143 1.00 0.00 H new ATOM 0 HB2 TYR A 85 9.246 4.703 -1.260 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.764 5.093 -0.409 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.568 7.239 -0.920 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.928 5.954 -3.203 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.949 8.800 -2.707 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.311 7.518 -4.994 1.00 0.00 H new ATOM 0 HH TYR A 85 6.320 9.415 -4.845 1.00 0.00 H new ATOM 1293 N VAL A 86 9.146 8.462 1.038 1.00 0.00 N ATOM 1294 CA VAL A 86 8.450 9.574 1.691 1.00 0.00 C ATOM 1295 C VAL A 86 7.220 10.012 0.892 1.00 0.00 C ATOM 1296 O VAL A 86 7.164 9.839 -0.326 1.00 0.00 O ATOM 1297 CB VAL A 86 9.383 10.791 1.887 1.00 0.00 C ATOM 1298 CG1 VAL A 86 10.498 10.461 2.872 1.00 0.00 C ATOM 1299 CG2 VAL A 86 9.960 11.258 0.556 1.00 0.00 C ATOM 0 H VAL A 86 10.039 8.718 0.617 1.00 0.00 H new ATOM 0 HA VAL A 86 8.131 9.209 2.667 1.00 0.00 H new ATOM 0 HB VAL A 86 8.790 11.607 2.301 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.143 11.331 2.996 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.065 10.191 3.835 1.00 0.00 H new ATOM 0 HG13 VAL A 86 11.085 9.625 2.491 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.612 12.115 0.723 1.00 0.00 H new ATOM 0 HG22 VAL A 86 10.533 10.448 0.104 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.148 11.545 -0.112 1.00 0.00 H new ATOM 1309 N LEU A 87 6.235 10.582 1.590 1.00 0.00 N ATOM 1310 CA LEU A 87 5.002 11.044 0.949 1.00 0.00 C ATOM 1311 C LEU A 87 4.979 12.568 0.807 1.00 0.00 C ATOM 1312 O LEU A 87 5.761 13.274 1.447 1.00 0.00 O ATOM 1313 CB LEU A 87 3.783 10.581 1.752 1.00 0.00 C ATOM 1314 CG LEU A 87 3.265 9.184 1.401 1.00 0.00 C ATOM 1315 CD1 LEU A 87 3.780 8.160 2.402 1.00 0.00 C ATOM 1316 CD2 LEU A 87 1.742 9.175 1.355 1.00 0.00 C ATOM 0 H LEU A 87 6.267 10.735 2.598 1.00 0.00 H new ATOM 0 HA LEU A 87 4.966 10.610 -0.050 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.037 10.601 2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.976 11.298 1.603 1.00 0.00 H new ATOM 0 HG LEU A 87 3.637 8.914 0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.403 7.172 2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.870 8.149 2.383 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.437 8.424 3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.391 8.174 1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.347 9.464 2.329 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.397 9.880 0.599 1.00 0.00 H new ATOM 1328 N ASN A 88 4.075 13.067 -0.039 1.00 0.00 N ATOM 1329 CA ASN A 88 3.944 14.509 -0.270 1.00 0.00 C ATOM 1330 C ASN A 88 2.583 14.856 -0.888 1.00 0.00 C ATOM 1331 O ASN A 88 2.468 15.825 -1.637 1.00 0.00 O ATOM 1332 CB ASN A 88 5.078 14.993 -1.182 1.00 0.00 C ATOM 1333 CG ASN A 88 5.456 16.443 -0.939 1.00 0.00 C ATOM 1334 OD1 ASN A 88 5.082 17.328 -1.709 1.00 0.00 O ATOM 1335 ND2 ASN A 88 6.207 16.696 0.129 1.00 0.00 N ATOM 0 H ASN A 88 3.423 12.495 -0.576 1.00 0.00 H new ATOM 0 HA ASN A 88 4.011 15.015 0.693 1.00 0.00 H new ATOM 0 HB2 ASN A 88 5.955 14.364 -1.028 1.00 0.00 H new ATOM 0 HB3 ASN A 88 4.777 14.871 -2.223 1.00 0.00 H new ATOM 0 HD21 ASN A 88 6.494 17.653 0.335 1.00 0.00 H new ATOM 0 HD22 ASN A 88 6.496 15.933 0.742 1.00 0.00 H new ATOM 1342 N ASP A 89 1.557 14.057 -0.563 1.00 0.00 N ATOM 1343 CA ASP A 89 0.200 14.263 -1.078 1.00 0.00 C ATOM 1344 C ASP A 89 0.164 14.213 -2.608 1.00 0.00 C ATOM 1345 O ASP A 89 0.567 15.162 -3.284 1.00 0.00 O ATOM 1346 CB ASP A 89 -0.380 15.592 -0.587 1.00 0.00 C ATOM 1347 CG ASP A 89 -1.842 15.472 -0.201 1.00 0.00 C ATOM 1348 OD1 ASP A 89 -2.668 15.150 -1.083 1.00 0.00 O ATOM 1349 OD2 ASP A 89 -2.162 15.705 0.983 1.00 0.00 O ATOM 0 H ASP A 89 1.645 13.255 0.061 1.00 0.00 H new ATOM 0 HA ASP A 89 -0.414 13.448 -0.694 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.193 15.941 0.272 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -0.273 16.344 -1.369 1.00 0.00 H new ATOM 1354 N GLY A 90 -0.324 13.095 -3.144 1.00 0.00 N ATOM 1355 CA GLY A 90 -0.408 12.924 -4.587 1.00 0.00 C ATOM 1356 C GLY A 90 0.461 11.783 -5.084 1.00 0.00 C ATOM 1357 O GLY A 90 1.042 11.866 -6.169 1.00 0.00 O ATOM 0 H GLY A 90 -0.664 12.301 -2.602 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.444 12.738 -4.869 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -0.105 13.849 -5.078 1.00 0.00 H new ATOM 1361 N ASP A 91 0.562 10.718 -4.286 1.00 0.00 N ATOM 1362 CA ASP A 91 1.376 9.563 -4.646 1.00 0.00 C ATOM 1363 C ASP A 91 0.514 8.398 -5.136 1.00 0.00 C ATOM 1364 O ASP A 91 -0.717 8.485 -5.154 1.00 0.00 O ATOM 1365 CB ASP A 91 2.223 9.126 -3.449 1.00 0.00 C ATOM 1366 CG ASP A 91 3.631 8.732 -3.851 1.00 0.00 C ATOM 1367 OD1 ASP A 91 4.433 9.637 -4.163 1.00 0.00 O ATOM 1368 OD2 ASP A 91 3.927 7.519 -3.859 1.00 0.00 O ATOM 0 H ASP A 91 0.089 10.635 -3.386 1.00 0.00 H new ATOM 0 HA ASP A 91 2.032 9.858 -5.465 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.269 9.938 -2.724 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.740 8.284 -2.954 1.00 0.00 H new ATOM 1373 N THR A 92 1.171 7.309 -5.539 1.00 0.00 N ATOM 1374 CA THR A 92 0.473 6.125 -6.034 1.00 0.00 C ATOM 1375 C THR A 92 1.144 4.848 -5.529 1.00 0.00 C ATOM 1376 O THR A 92 2.367 4.709 -5.602 1.00 0.00 O ATOM 1377 CB THR A 92 0.442 6.137 -7.567 1.00 0.00 C ATOM 1378 OG1 THR A 92 -0.166 7.325 -8.051 1.00 0.00 O ATOM 1379 CG2 THR A 92 -0.307 4.965 -8.170 1.00 0.00 C ATOM 0 H THR A 92 2.187 7.224 -5.532 1.00 0.00 H new ATOM 0 HA THR A 92 -0.550 6.145 -5.657 1.00 0.00 H new ATOM 0 HB THR A 92 1.487 6.072 -7.869 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.174 7.313 -9.031 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.287 5.041 -9.257 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.167 4.033 -7.862 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.341 4.977 -7.825 1.00 0.00 H new ATOM 1387 N VAL A 93 0.338 3.915 -5.018 1.00 0.00 N ATOM 1388 CA VAL A 93 0.855 2.648 -4.502 1.00 0.00 C ATOM 1389 C VAL A 93 -0.089 1.490 -4.833 1.00 0.00 C ATOM 1390 O VAL A 93 -1.308 1.617 -4.711 1.00 0.00 O ATOM 1391 CB VAL A 93 1.079 2.712 -2.972 1.00 0.00 C ATOM 1392 CG1 VAL A 93 -0.218 3.048 -2.246 1.00 0.00 C ATOM 1393 CG2 VAL A 93 1.667 1.403 -2.459 1.00 0.00 C ATOM 0 H VAL A 93 -0.675 4.014 -4.951 1.00 0.00 H new ATOM 0 HA VAL A 93 1.814 2.473 -4.989 1.00 0.00 H new ATOM 0 HB VAL A 93 1.794 3.509 -2.766 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.034 3.087 -1.172 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.585 4.016 -2.587 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.963 2.282 -2.459 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.817 1.469 -1.381 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.982 0.585 -2.681 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.624 1.218 -2.948 1.00 0.00 H new ATOM 1403 N GLU A 94 0.478 0.361 -5.257 1.00 0.00 N ATOM 1404 CA GLU A 94 -0.323 -0.808 -5.607 1.00 0.00 C ATOM 1405 C GLU A 94 0.257 -2.086 -5.004 1.00 0.00 C ATOM 1406 O GLU A 94 1.439 -2.148 -4.667 1.00 0.00 O ATOM 1407 CB GLU A 94 -0.426 -0.946 -7.126 1.00 0.00 C ATOM 1408 CG GLU A 94 -1.080 0.251 -7.800 1.00 0.00 C ATOM 1409 CD GLU A 94 -0.134 0.999 -8.722 1.00 0.00 C ATOM 1410 OE1 GLU A 94 0.978 1.355 -8.276 1.00 0.00 O ATOM 1411 OE2 GLU A 94 -0.508 1.232 -9.892 1.00 0.00 O ATOM 0 H GLU A 94 1.484 0.233 -5.366 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.320 -0.662 -5.191 1.00 0.00 H new ATOM 0 HB2 GLU A 94 0.573 -1.085 -7.539 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.997 -1.844 -7.364 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.944 -0.087 -8.371 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.451 0.934 -7.036 1.00 0.00 H new ATOM 1418 N PHE A 95 -0.596 -3.102 -4.877 1.00 0.00 N ATOM 1419 CA PHE A 95 -0.192 -4.389 -4.318 1.00 0.00 C ATOM 1420 C PHE A 95 -0.556 -5.522 -5.278 1.00 0.00 C ATOM 1421 O PHE A 95 -1.724 -5.889 -5.402 1.00 0.00 O ATOM 1422 CB PHE A 95 -0.864 -4.612 -2.956 1.00 0.00 C ATOM 1423 CG PHE A 95 -0.799 -3.413 -2.047 1.00 0.00 C ATOM 1424 CD1 PHE A 95 0.413 -2.977 -1.535 1.00 0.00 C ATOM 1425 CD2 PHE A 95 -1.954 -2.725 -1.707 1.00 0.00 C ATOM 1426 CE1 PHE A 95 0.473 -1.879 -0.700 1.00 0.00 C ATOM 1427 CE2 PHE A 95 -1.897 -1.625 -0.871 1.00 0.00 C ATOM 1428 CZ PHE A 95 -0.684 -1.200 -0.368 1.00 0.00 C ATOM 0 H PHE A 95 -1.576 -3.057 -5.156 1.00 0.00 H new ATOM 0 HA PHE A 95 0.889 -4.383 -4.178 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -1.908 -4.880 -3.115 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -0.389 -5.459 -2.461 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.321 -3.502 -1.792 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.906 -3.051 -2.099 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.424 -1.551 -0.306 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -2.803 -1.098 -0.611 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.639 -0.339 0.283 1.00 0.00 H new ATOM 1438 N ILE A 96 0.453 -6.061 -5.962 1.00 0.00 N ATOM 1439 CA ILE A 96 0.240 -7.146 -6.920 1.00 0.00 C ATOM 1440 C ILE A 96 0.948 -8.426 -6.473 1.00 0.00 C ATOM 1441 O ILE A 96 2.175 -8.451 -6.346 1.00 0.00 O ATOM 1442 CB ILE A 96 0.742 -6.763 -8.330 1.00 0.00 C ATOM 1443 CG1 ILE A 96 0.188 -5.396 -8.745 1.00 0.00 C ATOM 1444 CG2 ILE A 96 0.347 -7.825 -9.348 1.00 0.00 C ATOM 1445 CD1 ILE A 96 0.925 -4.776 -9.912 1.00 0.00 C ATOM 0 H ILE A 96 1.425 -5.765 -5.871 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.835 -7.322 -6.960 1.00 0.00 H new ATOM 0 HB ILE A 96 1.830 -6.702 -8.300 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.865 -5.503 -9.006 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.238 -4.718 -7.893 1.00 0.00 H new ATOM 0 HG21 ILE A 96 0.710 -7.536 -10.334 1.00 0.00 H new ATOM 0 HG22 ILE A 96 0.787 -8.781 -9.065 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -0.739 -7.918 -9.374 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.480 -3.810 -10.152 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.973 -4.637 -9.648 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.854 -5.434 -10.778 1.00 0.00 H new ATOM 1457 N SER A 97 0.173 -9.486 -6.240 1.00 0.00 N ATOM 1458 CA SER A 97 0.730 -10.769 -5.811 1.00 0.00 C ATOM 1459 C SER A 97 1.434 -11.478 -6.968 1.00 0.00 C ATOM 1460 O SER A 97 1.123 -11.237 -8.136 1.00 0.00 O ATOM 1461 CB SER A 97 -0.369 -11.666 -5.238 1.00 0.00 C ATOM 1462 OG SER A 97 -0.026 -12.123 -3.942 1.00 0.00 O ATOM 0 H SER A 97 -0.842 -9.481 -6.341 1.00 0.00 H new ATOM 0 HA SER A 97 1.466 -10.569 -5.032 1.00 0.00 H new ATOM 0 HB2 SER A 97 -1.309 -11.115 -5.196 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.529 -12.519 -5.898 1.00 0.00 H new ATOM 0 HG SER A 97 -0.744 -12.693 -3.595 1.00 0.00 H new ATOM 1468 N THR A 98 2.387 -12.350 -6.633 1.00 0.00 N ATOM 1469 CA THR A 98 3.148 -13.093 -7.640 1.00 0.00 C ATOM 1470 C THR A 98 3.838 -14.319 -7.033 1.00 0.00 C ATOM 1471 O THR A 98 3.859 -15.388 -7.646 1.00 0.00 O ATOM 1472 CB THR A 98 4.193 -12.183 -8.299 1.00 0.00 C ATOM 1473 OG1 THR A 98 4.514 -11.080 -7.464 1.00 0.00 O ATOM 1474 CG2 THR A 98 3.743 -11.634 -9.637 1.00 0.00 C ATOM 0 H THR A 98 2.651 -12.559 -5.670 1.00 0.00 H new ATOM 0 HA THR A 98 2.442 -13.439 -8.395 1.00 0.00 H new ATOM 0 HB THR A 98 5.066 -12.817 -8.455 1.00 0.00 H new ATOM 0 HG1 THR A 98 4.424 -11.344 -6.524 1.00 0.00 H new ATOM 0 HG21 THR A 98 4.526 -10.998 -10.051 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.546 -12.459 -10.321 1.00 0.00 H new ATOM 0 HG23 THR A 98 2.833 -11.049 -9.503 1.00 0.00 H new