USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 376 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 8 THR OG1 : rot -53:sc= 1.26 USER MOD Set 1.2: A 9 SER OG : rot 180:sc= 0.0533 USER MOD Single : A 1 GLY N :NH3+ 149:sc= -0.0652 (180deg=-0.684) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.224 K(o=-0.22,f=-0.84) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 117:sc= -2.81 USER MOD Single : A 21 ASN :FLIP amide:sc= -4.59! F(o=-6.5,f=-4.6!) USER MOD Single : B 1 PHE N :NH3+ -154:sc= 0.958 (180deg=0.0466) USER MOD Single : B 3 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.12) USER MOD Single : B 4 GLN :FLIP amide:sc= -6.37! C(o=-9!,f=-6.4!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 171:sc= -1.65! USER MOD Single : B 26 TYR OH : rot 30:sc= -3.35 USER MOD Single : B 27 THR OG1 : rot 46:sc= -0.168 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.757 3.608 3.002 1.00 0.00 N ATOM 2 CA GLY A 1 -5.796 2.482 2.851 1.00 0.00 C ATOM 3 C GLY A 1 -4.745 2.756 1.794 1.00 0.00 C ATOM 4 O GLY A 1 -4.204 3.861 1.722 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.686 3.236 3.286 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.410 4.265 3.730 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.847 4.111 2.096 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.306 2.296 3.807 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.342 1.575 2.590 1.00 0.00 H new ATOM 10 N ILE A 2 -4.451 1.746 0.973 1.00 0.00 N ATOM 11 CA ILE A 2 -3.452 1.873 -0.093 1.00 0.00 C ATOM 12 C ILE A 2 -3.532 3.224 -0.776 1.00 0.00 C ATOM 13 O ILE A 2 -2.526 3.770 -1.221 1.00 0.00 O ATOM 14 CB ILE A 2 -3.580 0.761 -1.166 1.00 0.00 C ATOM 15 CG1 ILE A 2 -4.956 0.086 -1.128 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.476 -0.267 -1.001 1.00 0.00 C ATOM 17 CD1 ILE A 2 -6.119 1.050 -1.214 1.00 0.00 C ATOM 0 H ILE A 2 -4.892 0.828 1.025 1.00 0.00 H new ATOM 0 HA ILE A 2 -2.485 1.769 0.399 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.477 1.235 -2.142 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -5.024 -0.623 -1.953 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -5.042 -0.489 -0.206 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.582 -1.040 -1.762 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -1.507 0.219 -1.110 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.546 -0.720 -0.012 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -7.056 0.494 -1.181 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -6.079 1.744 -0.375 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -6.061 1.608 -2.149 1.00 0.00 H new ATOM 29 N VAL A 3 -4.733 3.749 -0.861 1.00 0.00 N ATOM 30 CA VAL A 3 -4.950 5.027 -1.497 1.00 0.00 C ATOM 31 C VAL A 3 -4.859 6.193 -0.510 1.00 0.00 C ATOM 32 O VAL A 3 -3.883 6.942 -0.504 1.00 0.00 O ATOM 33 CB VAL A 3 -6.317 5.052 -2.190 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.661 6.464 -2.586 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.325 4.130 -3.399 1.00 0.00 C ATOM 0 H VAL A 3 -5.577 3.308 -0.496 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.156 5.151 -2.234 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.073 4.690 -1.494 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.633 6.477 -3.078 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.696 7.093 -1.697 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.903 6.845 -3.270 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.305 4.163 -3.876 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.565 4.455 -4.109 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.111 3.110 -3.080 1.00 0.00 H new ATOM 45 N GLU A 4 -5.905 6.348 0.298 1.00 0.00 N ATOM 46 CA GLU A 4 -5.995 7.436 1.277 1.00 0.00 C ATOM 47 C GLU A 4 -4.661 7.721 1.966 1.00 0.00 C ATOM 48 O GLU A 4 -4.389 8.857 2.353 1.00 0.00 O ATOM 49 CB GLU A 4 -7.056 7.105 2.328 1.00 0.00 C ATOM 50 CG GLU A 4 -8.426 6.810 1.738 1.00 0.00 C ATOM 51 CD GLU A 4 -9.423 7.923 1.992 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.847 8.086 3.155 1.00 0.00 O ATOM 53 OE2 GLU A 4 -9.781 8.631 1.027 1.00 0.00 O ATOM 0 H GLU A 4 -6.714 5.726 0.295 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.275 8.335 0.729 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.725 6.242 2.907 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.141 7.941 3.022 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.329 6.653 0.664 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.808 5.882 2.163 1.00 0.00 H new ATOM 60 N GLN A 5 -3.840 6.694 2.126 1.00 0.00 N ATOM 61 CA GLN A 5 -2.547 6.856 2.780 1.00 0.00 C ATOM 62 C GLN A 5 -1.459 7.230 1.783 1.00 0.00 C ATOM 63 O GLN A 5 -0.966 8.358 1.776 1.00 0.00 O ATOM 64 CB GLN A 5 -2.154 5.570 3.496 1.00 0.00 C ATOM 65 CG GLN A 5 -1.027 5.755 4.497 1.00 0.00 C ATOM 66 CD GLN A 5 -1.521 5.818 5.928 1.00 0.00 C ATOM 67 OE1 GLN A 5 -2.112 4.866 6.435 1.00 0.00 O ATOM 68 NE2 GLN A 5 -1.280 6.945 6.587 1.00 0.00 N ATOM 0 H GLN A 5 -4.043 5.744 1.815 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.645 7.666 3.503 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.026 5.170 4.013 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.854 4.828 2.756 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.319 4.932 4.397 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.485 6.672 4.263 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.786 7.709 6.127 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.589 7.046 7.554 1.00 0.00 H new ATOM 77 N CYS A 6 -1.080 6.269 0.955 1.00 0.00 N ATOM 78 CA CYS A 6 -0.040 6.478 -0.041 1.00 0.00 C ATOM 79 C CYS A 6 -0.374 7.648 -0.956 1.00 0.00 C ATOM 80 O CYS A 6 0.428 8.564 -1.128 1.00 0.00 O ATOM 81 CB CYS A 6 0.146 5.204 -0.867 1.00 0.00 C ATOM 82 SG CYS A 6 0.438 3.720 0.146 1.00 0.00 S ATOM 0 H CYS A 6 -1.480 5.331 0.953 1.00 0.00 H new ATOM 0 HA CYS A 6 0.887 6.715 0.480 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.740 5.046 -1.482 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.986 5.341 -1.548 1.00 0.00 H new ATOM 87 N CYS A 7 -1.560 7.602 -1.548 1.00 0.00 N ATOM 88 CA CYS A 7 -2.005 8.650 -2.469 1.00 0.00 C ATOM 89 C CYS A 7 -1.676 10.051 -1.953 1.00 0.00 C ATOM 90 O CYS A 7 -1.445 10.969 -2.741 1.00 0.00 O ATOM 91 CB CYS A 7 -3.510 8.535 -2.726 1.00 0.00 C ATOM 92 SG CYS A 7 -4.137 9.701 -3.978 1.00 0.00 S ATOM 0 H CYS A 7 -2.235 6.850 -1.409 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.463 8.503 -3.403 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.737 7.518 -3.045 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.042 8.702 -1.790 1.00 0.00 H new ATOM 97 N THR A 8 -1.654 10.216 -0.634 1.00 0.00 N ATOM 98 CA THR A 8 -1.351 11.514 -0.040 1.00 0.00 C ATOM 99 C THR A 8 0.159 11.725 0.075 1.00 0.00 C ATOM 100 O THR A 8 0.777 12.326 -0.803 1.00 0.00 O ATOM 101 CB THR A 8 -2.020 11.649 1.331 1.00 0.00 C ATOM 102 OG1 THR A 8 -1.501 10.697 2.243 1.00 0.00 O ATOM 103 CG2 THR A 8 -3.522 11.466 1.282 1.00 0.00 C ATOM 0 H THR A 8 -1.841 9.473 0.040 1.00 0.00 H new ATOM 0 HA THR A 8 -1.751 12.287 -0.696 1.00 0.00 H new ATOM 0 HB THR A 8 -1.802 12.665 1.659 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.562 9.801 1.851 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.935 11.574 2.285 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.959 12.220 0.627 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.755 10.473 0.899 1.00 0.00 H new ATOM 111 N SER A 9 0.749 11.226 1.157 1.00 0.00 N ATOM 112 CA SER A 9 2.186 11.361 1.374 1.00 0.00 C ATOM 113 C SER A 9 2.957 10.433 0.441 1.00 0.00 C ATOM 114 O SER A 9 2.372 9.797 -0.434 1.00 0.00 O ATOM 115 CB SER A 9 2.532 11.049 2.833 1.00 0.00 C ATOM 116 OG SER A 9 1.773 9.954 3.314 1.00 0.00 O ATOM 0 H SER A 9 0.256 10.725 1.896 1.00 0.00 H new ATOM 0 HA SER A 9 2.474 12.389 1.156 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.595 10.824 2.918 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.342 11.927 3.451 1.00 0.00 H new ATOM 0 HG SER A 9 2.014 9.774 4.247 1.00 0.00 H new ATOM 122 N ILE A 10 4.270 10.354 0.626 1.00 0.00 N ATOM 123 CA ILE A 10 5.099 9.495 -0.209 1.00 0.00 C ATOM 124 C ILE A 10 5.245 8.125 0.450 1.00 0.00 C ATOM 125 O ILE A 10 6.251 7.839 1.098 1.00 0.00 O ATOM 126 CB ILE A 10 6.507 10.095 -0.465 1.00 0.00 C ATOM 127 CG1 ILE A 10 6.454 11.529 -1.043 1.00 0.00 C ATOM 128 CG2 ILE A 10 7.285 9.198 -1.421 1.00 0.00 C ATOM 129 CD1 ILE A 10 5.152 12.278 -0.834 1.00 0.00 C ATOM 0 H ILE A 10 4.780 10.871 1.342 1.00 0.00 H new ATOM 0 HA ILE A 10 4.600 9.404 -1.174 1.00 0.00 H new ATOM 0 HB ILE A 10 7.006 10.151 0.502 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.261 12.110 -0.597 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.653 11.476 -2.113 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.273 9.624 -1.597 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.391 8.205 -0.984 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.749 9.122 -2.367 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.228 13.270 -1.279 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.337 11.730 -1.306 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.954 12.373 0.234 1.00 0.00 H new ATOM 141 N CYS A 11 4.216 7.292 0.293 1.00 0.00 N ATOM 142 CA CYS A 11 4.193 5.951 0.883 1.00 0.00 C ATOM 143 C CYS A 11 5.541 5.245 0.769 1.00 0.00 C ATOM 144 O CYS A 11 6.399 5.630 -0.027 1.00 0.00 O ATOM 145 CB CYS A 11 3.117 5.097 0.208 1.00 0.00 C ATOM 146 SG CYS A 11 1.964 4.286 1.358 1.00 0.00 S ATOM 0 H CYS A 11 3.380 7.524 -0.243 1.00 0.00 H new ATOM 0 HA CYS A 11 3.967 6.073 1.942 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.546 5.727 -0.474 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.605 4.332 -0.397 1.00 0.00 H new ATOM 151 N SER A 12 5.705 4.196 1.566 1.00 0.00 N ATOM 152 CA SER A 12 6.927 3.406 1.563 1.00 0.00 C ATOM 153 C SER A 12 6.588 1.924 1.475 1.00 0.00 C ATOM 154 O SER A 12 5.730 1.440 2.199 1.00 0.00 O ATOM 155 CB SER A 12 7.750 3.687 2.822 1.00 0.00 C ATOM 156 OG SER A 12 8.558 4.839 2.656 1.00 0.00 O ATOM 0 H SER A 12 4.999 3.872 2.227 1.00 0.00 H new ATOM 0 HA SER A 12 7.522 3.686 0.693 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.083 3.826 3.673 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.380 2.827 3.048 1.00 0.00 H new ATOM 0 HG SER A 12 9.073 4.998 3.475 1.00 0.00 H new ATOM 162 N LEU A 13 7.257 1.208 0.582 1.00 0.00 N ATOM 163 CA LEU A 13 7.009 -0.224 0.396 1.00 0.00 C ATOM 164 C LEU A 13 6.841 -0.942 1.722 1.00 0.00 C ATOM 165 O LEU A 13 6.001 -1.832 1.859 1.00 0.00 O ATOM 166 CB LEU A 13 8.153 -0.848 -0.389 1.00 0.00 C ATOM 167 CG LEU A 13 8.454 -0.161 -1.717 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.198 0.501 -2.269 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.564 0.862 -1.547 1.00 0.00 C ATOM 0 H LEU A 13 7.978 1.592 -0.029 1.00 0.00 H new ATOM 0 HA LEU A 13 6.078 -0.332 -0.161 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.052 -0.831 0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.918 -1.895 -0.581 1.00 0.00 H new ATOM 0 HG LEU A 13 8.788 -0.916 -2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.429 0.987 -3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.428 -0.254 -2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.837 1.245 -1.559 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.766 1.342 -2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.257 1.615 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.467 0.364 -1.194 1.00 0.00 H new ATOM 181 N TYR A 14 7.626 -0.534 2.703 1.00 0.00 N ATOM 182 CA TYR A 14 7.540 -1.125 4.031 1.00 0.00 C ATOM 183 C TYR A 14 6.144 -0.890 4.580 1.00 0.00 C ATOM 184 O TYR A 14 5.554 -1.750 5.234 1.00 0.00 O ATOM 185 CB TYR A 14 8.589 -0.513 4.962 1.00 0.00 C ATOM 186 CG TYR A 14 8.793 -1.293 6.240 1.00 0.00 C ATOM 187 CD1 TYR A 14 9.655 -2.382 6.281 1.00 0.00 C ATOM 188 CD2 TYR A 14 8.127 -0.939 7.407 1.00 0.00 C ATOM 189 CE1 TYR A 14 9.846 -3.098 7.448 1.00 0.00 C ATOM 190 CE2 TYR A 14 8.312 -1.650 8.579 1.00 0.00 C ATOM 191 CZ TYR A 14 9.173 -2.728 8.593 1.00 0.00 C ATOM 192 OH TYR A 14 9.362 -3.438 9.757 1.00 0.00 O ATOM 0 H TYR A 14 8.328 0.200 2.609 1.00 0.00 H new ATOM 0 HA TYR A 14 7.735 -2.195 3.966 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.539 -0.446 4.431 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.291 0.505 5.211 1.00 0.00 H new ATOM 0 HD1 TYR A 14 10.185 -2.674 5.386 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.454 -0.095 7.399 1.00 0.00 H new ATOM 0 HE1 TYR A 14 10.519 -3.943 7.463 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.786 -1.363 9.477 1.00 0.00 H new ATOM 0 HH TYR A 14 8.816 -3.048 10.471 1.00 0.00 H new ATOM 202 N GLN A 15 5.612 0.280 4.257 1.00 0.00 N ATOM 203 CA GLN A 15 4.269 0.666 4.659 1.00 0.00 C ATOM 204 C GLN A 15 3.266 0.067 3.683 1.00 0.00 C ATOM 205 O GLN A 15 2.160 -0.315 4.063 1.00 0.00 O ATOM 206 CB GLN A 15 4.168 2.202 4.701 1.00 0.00 C ATOM 207 CG GLN A 15 2.765 2.764 4.504 1.00 0.00 C ATOM 208 CD GLN A 15 2.183 3.340 5.781 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.893 3.951 6.580 1.00 0.00 O ATOM 210 NE2 GLN A 15 0.884 3.148 5.979 1.00 0.00 N ATOM 0 H GLN A 15 6.100 0.988 3.709 1.00 0.00 H new ATOM 0 HA GLN A 15 4.046 0.287 5.656 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.550 2.549 5.661 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.819 2.615 3.930 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.793 3.540 3.739 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.110 1.975 4.134 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.333 2.636 5.290 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.437 3.513 6.820 1.00 0.00 H new ATOM 219 N LEU A 16 3.678 -0.030 2.425 1.00 0.00 N ATOM 220 CA LEU A 16 2.838 -0.603 1.389 1.00 0.00 C ATOM 221 C LEU A 16 2.689 -2.104 1.604 1.00 0.00 C ATOM 222 O LEU A 16 1.747 -2.722 1.106 1.00 0.00 O ATOM 223 CB LEU A 16 3.433 -0.327 0.009 1.00 0.00 C ATOM 224 CG LEU A 16 2.410 -0.241 -1.126 1.00 0.00 C ATOM 225 CD1 LEU A 16 1.705 1.105 -1.111 1.00 0.00 C ATOM 226 CD2 LEU A 16 3.080 -0.474 -2.470 1.00 0.00 C ATOM 0 H LEU A 16 4.593 0.283 2.100 1.00 0.00 H new ATOM 0 HA LEU A 16 1.853 -0.139 1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.989 0.610 0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.150 -1.114 -0.226 1.00 0.00 H new ATOM 0 HG LEU A 16 1.665 -1.022 -0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.982 1.146 -1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.188 1.234 -0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.439 1.901 -1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.336 -0.409 -3.264 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.848 0.283 -2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.537 -1.463 -2.482 1.00 0.00 H new ATOM 238 N GLU A 17 3.617 -2.687 2.364 1.00 0.00 N ATOM 239 CA GLU A 17 3.574 -4.112 2.655 1.00 0.00 C ATOM 240 C GLU A 17 2.505 -4.407 3.703 1.00 0.00 C ATOM 241 O GLU A 17 2.119 -5.558 3.904 1.00 0.00 O ATOM 242 CB GLU A 17 4.937 -4.600 3.148 1.00 0.00 C ATOM 243 CG GLU A 17 5.013 -6.106 3.331 1.00 0.00 C ATOM 244 CD GLU A 17 5.291 -6.508 4.766 1.00 0.00 C ATOM 245 OE1 GLU A 17 6.391 -6.193 5.268 1.00 0.00 O ATOM 246 OE2 GLU A 17 4.410 -7.137 5.389 1.00 0.00 O ATOM 0 H GLU A 17 4.403 -2.193 2.786 1.00 0.00 H new ATOM 0 HA GLU A 17 3.324 -4.642 1.736 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.704 -4.289 2.438 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.166 -4.115 4.097 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.074 -6.555 3.008 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.796 -6.507 2.688 1.00 0.00 H new ATOM 253 N ASN A 18 2.025 -3.353 4.363 1.00 0.00 N ATOM 254 CA ASN A 18 0.996 -3.498 5.386 1.00 0.00 C ATOM 255 C ASN A 18 -0.391 -3.654 4.759 1.00 0.00 C ATOM 256 O ASN A 18 -1.385 -3.805 5.467 1.00 0.00 O ATOM 257 CB ASN A 18 1.011 -2.291 6.327 1.00 0.00 C ATOM 258 CG ASN A 18 0.832 -2.689 7.780 1.00 0.00 C ATOM 259 OD1 ASN A 18 1.791 -3.055 8.458 1.00 0.00 O ATOM 260 ND2 ASN A 18 -0.402 -2.616 8.266 1.00 0.00 N ATOM 0 H ASN A 18 2.333 -2.393 4.206 1.00 0.00 H new ATOM 0 HA ASN A 18 1.215 -4.401 5.956 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.954 -1.756 6.213 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.217 -1.601 6.041 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.583 -2.869 9.237 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.168 -2.307 7.668 1.00 0.00 H new ATOM 267 N TYR A 19 -0.452 -3.625 3.427 1.00 0.00 N ATOM 268 CA TYR A 19 -1.714 -3.772 2.718 1.00 0.00 C ATOM 269 C TYR A 19 -1.896 -5.213 2.242 1.00 0.00 C ATOM 270 O TYR A 19 -3.016 -5.667 2.012 1.00 0.00 O ATOM 271 CB TYR A 19 -1.762 -2.819 1.522 1.00 0.00 C ATOM 272 CG TYR A 19 -1.897 -1.359 1.900 1.00 0.00 C ATOM 273 CD1 TYR A 19 -3.040 -0.889 2.538 1.00 0.00 C ATOM 274 CD2 TYR A 19 -0.888 -0.448 1.605 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.170 0.447 2.874 1.00 0.00 C ATOM 276 CE2 TYR A 19 -1.014 0.889 1.937 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.155 1.328 2.571 1.00 0.00 C ATOM 278 OH TYR A 19 -2.280 2.656 2.905 1.00 0.00 O ATOM 0 H TYR A 19 0.360 -3.501 2.822 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.525 -3.524 3.403 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.855 -2.948 0.932 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.600 -3.097 0.883 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.838 -1.577 2.775 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.008 -0.790 1.109 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.062 0.797 3.371 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.222 1.584 1.700 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.583 2.898 3.550 1.00 0.00 H new ATOM 288 N CYS A 20 -0.779 -5.925 2.101 1.00 0.00 N ATOM 289 CA CYS A 20 -0.801 -7.316 1.658 1.00 0.00 C ATOM 290 C CYS A 20 -1.700 -8.164 2.553 1.00 0.00 C ATOM 291 O CYS A 20 -1.371 -8.422 3.712 1.00 0.00 O ATOM 292 CB CYS A 20 0.618 -7.889 1.659 1.00 0.00 C ATOM 293 SG CYS A 20 1.861 -6.811 0.874 1.00 0.00 S ATOM 0 H CYS A 20 0.155 -5.559 2.288 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.203 -7.342 0.645 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.919 -8.082 2.689 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.610 -8.850 1.144 1.00 0.00 H new ATOM 298 N ASN A 21 -2.835 -8.596 2.012 1.00 0.00 N ATOM 299 CA ASN A 21 -3.776 -9.416 2.768 1.00 0.00 C ATOM 300 C ASN A 21 -3.510 -10.902 2.536 1.00 0.00 C ATOM 301 O ASN A 21 -2.440 -11.285 2.062 1.00 0.00 O ATOM 302 CB ASN A 21 -5.219 -9.070 2.381 1.00 0.00 C ATOM 303 CG ASN A 21 -5.616 -9.616 1.022 1.00 0.00 C ATOM 304 OD1 ASN A 21 -5.978 -8.724 0.110 1.00 0.00 O flip ATOM 305 ND2 ASN A 21 -5.597 -10.827 0.795 1.00 0.00 N flip ATOM 306 OXT ASN A 21 -4.375 -11.722 2.936 1.00 0.00 O ATOM 0 H ASN A 21 -3.125 -8.393 1.055 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.636 -9.203 3.828 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.897 -9.466 3.137 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.339 -7.987 2.380 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.312 -11.479 1.526 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.867 -11.178 -0.124 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 10.698 5.146 -1.988 1.00 0.00 N ATOM 315 CA PHE B 1 12.031 4.959 -2.554 1.00 0.00 C ATOM 316 C PHE B 1 12.525 6.265 -3.179 1.00 0.00 C ATOM 317 O PHE B 1 13.727 6.504 -3.285 1.00 0.00 O ATOM 318 CB PHE B 1 12.041 3.832 -3.598 1.00 0.00 C ATOM 319 CG PHE B 1 10.728 3.611 -4.300 1.00 0.00 C ATOM 320 CD1 PHE B 1 10.115 4.640 -4.999 1.00 0.00 C ATOM 321 CD2 PHE B 1 10.114 2.369 -4.272 1.00 0.00 C ATOM 322 CE1 PHE B 1 8.916 4.434 -5.652 1.00 0.00 C ATOM 323 CE2 PHE B 1 8.915 2.157 -4.926 1.00 0.00 C ATOM 324 CZ PHE B 1 8.316 3.191 -5.617 1.00 0.00 C ATOM 0 H1 PHE B 1 10.548 4.462 -1.219 1.00 0.00 H new ATOM 0 H2 PHE B 1 10.613 6.112 -1.613 1.00 0.00 H new ATOM 0 H3 PHE B 1 9.983 4.998 -2.728 1.00 0.00 H new ATOM 0 HA PHE B 1 12.704 4.673 -1.746 1.00 0.00 H new ATOM 0 HB2 PHE B 1 12.803 4.054 -4.345 1.00 0.00 H new ATOM 0 HB3 PHE B 1 12.336 2.904 -3.108 1.00 0.00 H new ATOM 0 HD1 PHE B 1 10.581 5.614 -5.033 1.00 0.00 H new ATOM 0 HD2 PHE B 1 10.578 1.557 -3.732 1.00 0.00 H new ATOM 0 HE1 PHE B 1 8.448 5.245 -6.190 1.00 0.00 H new ATOM 0 HE2 PHE B 1 8.447 1.184 -4.896 1.00 0.00 H new ATOM 0 HZ PHE B 1 7.379 3.028 -6.129 1.00 0.00 H new ATOM 336 N VAL B 2 11.576 7.109 -3.580 1.00 0.00 N ATOM 337 CA VAL B 2 11.874 8.402 -4.185 1.00 0.00 C ATOM 338 C VAL B 2 10.699 9.346 -3.957 1.00 0.00 C ATOM 339 O VAL B 2 9.935 9.162 -3.009 1.00 0.00 O ATOM 340 CB VAL B 2 12.143 8.264 -5.700 1.00 0.00 C ATOM 341 CG1 VAL B 2 13.155 7.166 -5.956 1.00 0.00 C ATOM 342 CG2 VAL B 2 10.854 7.988 -6.461 1.00 0.00 C ATOM 0 H VAL B 2 10.579 6.914 -3.494 1.00 0.00 H new ATOM 0 HA VAL B 2 12.774 8.803 -3.718 1.00 0.00 H new ATOM 0 HB VAL B 2 12.551 9.208 -6.060 1.00 0.00 H new ATOM 0 HG11 VAL B 2 13.335 7.080 -7.028 1.00 0.00 H new ATOM 0 HG12 VAL B 2 14.089 7.407 -5.449 1.00 0.00 H new ATOM 0 HG13 VAL B 2 12.770 6.220 -5.576 1.00 0.00 H new ATOM 0 HG21 VAL B 2 11.072 7.895 -7.525 1.00 0.00 H new ATOM 0 HG22 VAL B 2 10.410 7.061 -6.100 1.00 0.00 H new ATOM 0 HG23 VAL B 2 10.156 8.810 -6.304 1.00 0.00 H new ATOM 352 N ASN B 3 10.529 10.335 -4.828 1.00 0.00 N ATOM 353 CA ASN B 3 9.406 11.255 -4.699 1.00 0.00 C ATOM 354 C ASN B 3 8.131 10.537 -5.111 1.00 0.00 C ATOM 355 O ASN B 3 7.478 10.893 -6.093 1.00 0.00 O ATOM 356 CB ASN B 3 9.619 12.511 -5.552 1.00 0.00 C ATOM 357 CG ASN B 3 11.071 12.947 -5.602 1.00 0.00 C ATOM 358 OD1 ASN B 3 11.737 12.815 -6.630 1.00 0.00 O ATOM 359 ND2 ASN B 3 11.570 13.470 -4.488 1.00 0.00 N ATOM 0 H ASN B 3 11.145 10.519 -5.620 1.00 0.00 H new ATOM 0 HA ASN B 3 9.326 11.577 -3.661 1.00 0.00 H new ATOM 0 HB2 ASN B 3 9.266 12.321 -6.566 1.00 0.00 H new ATOM 0 HB3 ASN B 3 9.014 13.324 -5.151 1.00 0.00 H new ATOM 0 HD21 ASN B 3 12.541 13.781 -4.461 1.00 0.00 H new ATOM 0 HD22 ASN B 3 10.982 13.561 -3.659 1.00 0.00 H new ATOM 366 N GLN B 4 7.819 9.494 -4.357 1.00 0.00 N ATOM 367 CA GLN B 4 6.666 8.655 -4.610 1.00 0.00 C ATOM 368 C GLN B 4 5.365 9.237 -4.048 1.00 0.00 C ATOM 369 O GLN B 4 5.370 10.056 -3.131 1.00 0.00 O ATOM 370 CB GLN B 4 6.950 7.261 -4.032 1.00 0.00 C ATOM 371 CG GLN B 4 5.775 6.613 -3.326 1.00 0.00 C ATOM 372 CD GLN B 4 5.947 5.117 -3.165 1.00 0.00 C ATOM 373 OE1 GLN B 4 5.309 4.557 -2.148 1.00 0.00 O flip ATOM 374 NE2 GLN B 4 6.646 4.472 -3.945 1.00 0.00 N flip ATOM 0 H GLN B 4 8.366 9.207 -3.546 1.00 0.00 H new ATOM 0 HA GLN B 4 6.511 8.595 -5.687 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.275 6.607 -4.841 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.781 7.337 -3.330 1.00 0.00 H new ATOM 0 HG2 GLN B 4 5.650 7.069 -2.344 1.00 0.00 H new ATOM 0 HG3 GLN B 4 4.863 6.812 -3.889 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.120 4.944 -4.715 1.00 0.00 H new ATOM 0 HE22 GLN B 4 6.752 3.465 -3.822 1.00 0.00 H new ATOM 383 N ALA B 5 4.250 8.772 -4.607 1.00 0.00 N ATOM 384 CA ALA B 5 2.919 9.187 -4.178 1.00 0.00 C ATOM 385 C ALA B 5 2.033 7.961 -4.046 1.00 0.00 C ATOM 386 O ALA B 5 1.447 7.707 -2.999 1.00 0.00 O ATOM 387 CB ALA B 5 2.310 10.172 -5.162 1.00 0.00 C ATOM 0 H ALA B 5 4.245 8.096 -5.371 1.00 0.00 H new ATOM 0 HA ALA B 5 3.000 9.688 -3.213 1.00 0.00 H new ATOM 0 HB1 ALA B 5 1.318 10.464 -4.817 1.00 0.00 H new ATOM 0 HB2 ALA B 5 2.945 11.055 -5.232 1.00 0.00 H new ATOM 0 HB3 ALA B 5 2.230 9.704 -6.143 1.00 0.00 H new ATOM 393 N LEU B 6 1.975 7.189 -5.121 1.00 0.00 N ATOM 394 CA LEU B 6 1.198 5.958 -5.152 1.00 0.00 C ATOM 395 C LEU B 6 -0.299 6.210 -5.017 1.00 0.00 C ATOM 396 O LEU B 6 -0.855 6.162 -3.919 1.00 0.00 O ATOM 397 CB LEU B 6 1.675 5.011 -4.047 1.00 0.00 C ATOM 398 CG LEU B 6 2.831 4.083 -4.437 1.00 0.00 C ATOM 399 CD1 LEU B 6 2.298 2.838 -5.115 1.00 0.00 C ATOM 400 CD2 LEU B 6 3.821 4.795 -5.350 1.00 0.00 C ATOM 0 H LEU B 6 2.463 7.396 -5.993 1.00 0.00 H new ATOM 0 HA LEU B 6 1.359 5.498 -6.127 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.983 5.607 -3.188 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.832 4.400 -3.726 1.00 0.00 H new ATOM 0 HG LEU B 6 3.355 3.795 -3.526 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.129 2.188 -5.387 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.632 2.309 -4.433 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.749 3.120 -6.013 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.631 4.113 -5.611 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.311 5.118 -6.258 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.230 5.664 -4.835 1.00 0.00 H new ATOM 412 N CYS B 7 -0.947 6.446 -6.150 1.00 0.00 N ATOM 413 CA CYS B 7 -2.385 6.670 -6.185 1.00 0.00 C ATOM 414 C CYS B 7 -2.977 6.011 -7.423 1.00 0.00 C ATOM 415 O CYS B 7 -2.408 6.088 -8.511 1.00 0.00 O ATOM 416 CB CYS B 7 -2.711 8.162 -6.175 1.00 0.00 C ATOM 417 SG CYS B 7 -4.406 8.546 -5.627 1.00 0.00 S ATOM 0 H CYS B 7 -0.495 6.487 -7.063 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.825 6.225 -5.292 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -2.004 8.674 -5.522 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -2.565 8.562 -7.178 1.00 0.00 H new ATOM 422 N GLY B 8 -4.111 5.348 -7.248 1.00 0.00 N ATOM 423 CA GLY B 8 -4.744 4.667 -8.360 1.00 0.00 C ATOM 424 C GLY B 8 -4.031 3.374 -8.710 1.00 0.00 C ATOM 425 O GLY B 8 -3.604 2.639 -7.821 1.00 0.00 O ATOM 0 H GLY B 8 -4.604 5.269 -6.358 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.783 4.453 -8.111 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.754 5.324 -9.230 1.00 0.00 H new ATOM 429 N SER B 9 -3.893 3.099 -10.003 1.00 0.00 N ATOM 430 CA SER B 9 -3.217 1.887 -10.459 1.00 0.00 C ATOM 431 C SER B 9 -1.740 1.890 -10.067 1.00 0.00 C ATOM 432 O SER B 9 -1.077 0.855 -10.113 1.00 0.00 O ATOM 433 CB SER B 9 -3.353 1.746 -11.977 1.00 0.00 C ATOM 434 OG SER B 9 -4.494 0.981 -12.319 1.00 0.00 O ATOM 0 H SER B 9 -4.239 3.697 -10.753 1.00 0.00 H new ATOM 0 HA SER B 9 -3.694 1.036 -9.972 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.424 2.734 -12.432 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.459 1.272 -12.383 1.00 0.00 H new ATOM 0 HG SER B 9 -4.558 0.908 -13.294 1.00 0.00 H new ATOM 440 N ASP B 10 -1.226 3.053 -9.679 1.00 0.00 N ATOM 441 CA ASP B 10 0.172 3.172 -9.279 1.00 0.00 C ATOM 442 C ASP B 10 0.470 2.295 -8.066 1.00 0.00 C ATOM 443 O ASP B 10 1.613 1.889 -7.849 1.00 0.00 O ATOM 444 CB ASP B 10 0.510 4.629 -8.964 1.00 0.00 C ATOM 445 CG ASP B 10 0.525 5.503 -10.203 1.00 0.00 C ATOM 446 OD1 ASP B 10 1.475 5.380 -11.004 1.00 0.00 O ATOM 447 OD2 ASP B 10 -0.413 6.309 -10.372 1.00 0.00 O ATOM 0 H ASP B 10 -1.755 3.924 -9.633 1.00 0.00 H new ATOM 0 HA ASP B 10 0.791 2.833 -10.109 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.218 5.022 -8.255 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.485 4.676 -8.479 1.00 0.00 H new ATOM 452 N LEU B 11 -0.561 2.006 -7.280 1.00 0.00 N ATOM 453 CA LEU B 11 -0.408 1.178 -6.089 1.00 0.00 C ATOM 454 C LEU B 11 -0.185 -0.274 -6.456 1.00 0.00 C ATOM 455 O LEU B 11 0.872 -0.825 -6.177 1.00 0.00 O ATOM 456 CB LEU B 11 -1.628 1.311 -5.190 1.00 0.00 C ATOM 457 CG LEU B 11 -1.724 2.641 -4.452 1.00 0.00 C ATOM 458 CD1 LEU B 11 -3.170 3.068 -4.325 1.00 0.00 C ATOM 459 CD2 LEU B 11 -1.071 2.538 -3.084 1.00 0.00 C ATOM 0 H LEU B 11 -1.513 2.333 -7.446 1.00 0.00 H new ATOM 0 HA LEU B 11 0.470 1.529 -5.548 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.526 1.179 -5.794 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.615 0.503 -4.458 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.191 3.398 -5.027 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.223 4.019 -3.796 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -3.605 3.180 -5.318 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.725 2.312 -3.769 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.149 3.496 -2.571 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.575 1.770 -2.497 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.020 2.273 -3.201 1.00 0.00 H new ATOM 471 N VAL B 12 -1.179 -0.886 -7.088 1.00 0.00 N ATOM 472 CA VAL B 12 -1.081 -2.280 -7.496 1.00 0.00 C ATOM 473 C VAL B 12 0.309 -2.593 -8.021 1.00 0.00 C ATOM 474 O VAL B 12 0.901 -3.615 -7.679 1.00 0.00 O ATOM 475 CB VAL B 12 -2.115 -2.624 -8.579 1.00 0.00 C ATOM 476 CG1 VAL B 12 -3.481 -2.875 -7.960 1.00 0.00 C ATOM 477 CG2 VAL B 12 -2.195 -1.526 -9.630 1.00 0.00 C ATOM 0 H VAL B 12 -2.063 -0.437 -7.329 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.282 -2.885 -6.612 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.789 -3.539 -9.073 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.197 -3.117 -8.745 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.416 -3.708 -7.260 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.811 -1.981 -7.431 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.935 -1.797 -10.383 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.486 -0.589 -9.156 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.221 -1.405 -10.105 1.00 0.00 H new ATOM 487 N GLU B 13 0.840 -1.692 -8.832 1.00 0.00 N ATOM 488 CA GLU B 13 2.174 -1.863 -9.382 1.00 0.00 C ATOM 489 C GLU B 13 3.177 -2.064 -8.255 1.00 0.00 C ATOM 490 O GLU B 13 3.931 -3.040 -8.238 1.00 0.00 O ATOM 491 CB GLU B 13 2.568 -0.641 -10.217 1.00 0.00 C ATOM 492 CG GLU B 13 2.356 -0.824 -11.711 1.00 0.00 C ATOM 493 CD GLU B 13 3.492 -0.248 -12.534 1.00 0.00 C ATOM 494 OE1 GLU B 13 4.650 -0.300 -12.068 1.00 0.00 O ATOM 495 OE2 GLU B 13 3.223 0.252 -13.646 1.00 0.00 O ATOM 0 H GLU B 13 0.368 -0.836 -9.123 1.00 0.00 H new ATOM 0 HA GLU B 13 2.176 -2.742 -10.026 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.990 0.219 -9.880 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.618 -0.411 -10.034 1.00 0.00 H new ATOM 0 HG2 GLU B 13 2.253 -1.886 -11.933 1.00 0.00 H new ATOM 0 HG3 GLU B 13 1.421 -0.346 -12.003 1.00 0.00 H new ATOM 502 N ALA B 14 3.162 -1.140 -7.306 1.00 0.00 N ATOM 503 CA ALA B 14 4.062 -1.210 -6.164 1.00 0.00 C ATOM 504 C ALA B 14 3.526 -2.163 -5.104 1.00 0.00 C ATOM 505 O ALA B 14 4.241 -2.539 -4.177 1.00 0.00 O ATOM 506 CB ALA B 14 4.266 0.178 -5.572 1.00 0.00 C ATOM 0 H ALA B 14 2.537 -0.334 -7.304 1.00 0.00 H new ATOM 0 HA ALA B 14 5.022 -1.593 -6.509 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.941 0.114 -4.718 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.697 0.836 -6.327 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.306 0.579 -5.246 1.00 0.00 H new ATOM 512 N LEU B 15 2.256 -2.536 -5.237 1.00 0.00 N ATOM 513 CA LEU B 15 1.613 -3.421 -4.284 1.00 0.00 C ATOM 514 C LEU B 15 1.783 -4.892 -4.657 1.00 0.00 C ATOM 515 O LEU B 15 2.379 -5.662 -3.906 1.00 0.00 O ATOM 516 CB LEU B 15 0.129 -3.076 -4.169 1.00 0.00 C ATOM 517 CG LEU B 15 -0.347 -2.662 -2.775 1.00 0.00 C ATOM 518 CD1 LEU B 15 -1.813 -2.988 -2.618 1.00 0.00 C ATOM 519 CD2 LEU B 15 0.453 -3.354 -1.686 1.00 0.00 C ATOM 0 H LEU B 15 1.653 -2.234 -6.002 1.00 0.00 H new ATOM 0 HA LEU B 15 2.099 -3.272 -3.320 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.092 -2.266 -4.864 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.453 -3.940 -4.490 1.00 0.00 H new ATOM 0 HG LEU B 15 -0.196 -1.587 -2.673 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.147 -2.691 -1.624 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.388 -2.448 -3.370 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.963 -4.060 -2.746 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.088 -3.037 -0.709 1.00 0.00 H new ATOM 0 HD22 LEU B 15 0.340 -4.434 -1.782 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.506 -3.089 -1.784 1.00 0.00 H new ATOM 531 N TYR B 16 1.248 -5.296 -5.805 1.00 0.00 N ATOM 532 CA TYR B 16 1.362 -6.686 -6.212 1.00 0.00 C ATOM 533 C TYR B 16 2.807 -7.112 -6.317 1.00 0.00 C ATOM 534 O TYR B 16 3.106 -8.306 -6.312 1.00 0.00 O ATOM 535 CB TYR B 16 0.653 -6.962 -7.542 1.00 0.00 C ATOM 536 CG TYR B 16 1.107 -6.149 -8.733 1.00 0.00 C ATOM 537 CD1 TYR B 16 2.427 -6.168 -9.164 1.00 0.00 C ATOM 538 CD2 TYR B 16 0.191 -5.396 -9.456 1.00 0.00 C ATOM 539 CE1 TYR B 16 2.821 -5.456 -10.281 1.00 0.00 C ATOM 540 CE2 TYR B 16 0.578 -4.678 -10.568 1.00 0.00 C ATOM 541 CZ TYR B 16 1.895 -4.713 -10.980 1.00 0.00 C ATOM 542 OH TYR B 16 2.287 -4.009 -12.096 1.00 0.00 O ATOM 0 H TYR B 16 0.743 -4.694 -6.455 1.00 0.00 H new ATOM 0 HA TYR B 16 0.870 -7.271 -5.435 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.779 -8.018 -7.782 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -0.414 -6.792 -7.401 1.00 0.00 H new ATOM 0 HD1 TYR B 16 3.157 -6.748 -8.618 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.842 -5.372 -9.142 1.00 0.00 H new ATOM 0 HE1 TYR B 16 3.851 -5.482 -10.605 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -0.146 -4.091 -11.114 1.00 0.00 H new ATOM 0 HH TYR B 16 1.496 -3.657 -12.555 1.00 0.00 H new ATOM 552 N LEU B 17 3.710 -6.149 -6.442 1.00 0.00 N ATOM 553 CA LEU B 17 5.104 -6.490 -6.579 1.00 0.00 C ATOM 554 C LEU B 17 5.769 -6.591 -5.207 1.00 0.00 C ATOM 555 O LEU B 17 6.731 -7.339 -5.030 1.00 0.00 O ATOM 556 CB LEU B 17 5.801 -5.469 -7.465 1.00 0.00 C ATOM 557 CG LEU B 17 6.726 -6.101 -8.491 1.00 0.00 C ATOM 558 CD1 LEU B 17 5.905 -7.057 -9.353 1.00 0.00 C ATOM 559 CD2 LEU B 17 7.395 -5.034 -9.344 1.00 0.00 C ATOM 0 H LEU B 17 3.502 -5.150 -6.451 1.00 0.00 H new ATOM 0 HA LEU B 17 5.189 -7.467 -7.055 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.049 -4.872 -7.982 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.375 -4.786 -6.839 1.00 0.00 H new ATOM 0 HG LEU B 17 7.519 -6.652 -7.986 1.00 0.00 H new ATOM 0 HD11 LEU B 17 6.551 -7.522 -10.097 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.465 -7.829 -8.722 1.00 0.00 H new ATOM 0 HD13 LEU B 17 5.112 -6.504 -9.856 1.00 0.00 H new ATOM 0 HD21 LEU B 17 8.053 -5.509 -10.072 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.633 -4.456 -9.867 1.00 0.00 H new ATOM 0 HD23 LEU B 17 7.979 -4.371 -8.706 1.00 0.00 H new ATOM 571 N VAL B 18 5.232 -5.861 -4.227 1.00 0.00 N ATOM 572 CA VAL B 18 5.766 -5.909 -2.868 1.00 0.00 C ATOM 573 C VAL B 18 5.256 -7.148 -2.147 1.00 0.00 C ATOM 574 O VAL B 18 5.994 -7.803 -1.411 1.00 0.00 O ATOM 575 CB VAL B 18 5.377 -4.669 -2.040 1.00 0.00 C ATOM 576 CG1 VAL B 18 6.170 -3.456 -2.483 1.00 0.00 C ATOM 577 CG2 VAL B 18 3.890 -4.402 -2.129 1.00 0.00 C ATOM 0 H VAL B 18 4.435 -5.236 -4.349 1.00 0.00 H new ATOM 0 HA VAL B 18 6.852 -5.935 -2.960 1.00 0.00 H new ATOM 0 HB VAL B 18 5.620 -4.871 -0.997 1.00 0.00 H new ATOM 0 HG11 VAL B 18 5.879 -2.593 -1.885 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.234 -3.648 -2.349 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.968 -3.253 -3.535 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.642 -3.522 -1.536 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.613 -4.229 -3.169 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.342 -5.263 -1.747 1.00 0.00 H new ATOM 587 N CYS B 19 3.984 -7.464 -2.369 1.00 0.00 N ATOM 588 CA CYS B 19 3.363 -8.624 -1.746 1.00 0.00 C ATOM 589 C CYS B 19 3.705 -9.895 -2.516 1.00 0.00 C ATOM 590 O CYS B 19 4.320 -10.815 -1.977 1.00 0.00 O ATOM 591 CB CYS B 19 1.849 -8.439 -1.682 1.00 0.00 C ATOM 592 SG CYS B 19 1.322 -6.801 -1.082 1.00 0.00 S ATOM 0 H CYS B 19 3.363 -6.930 -2.978 1.00 0.00 H new ATOM 0 HA CYS B 19 3.751 -8.720 -0.732 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.432 -8.601 -2.676 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.428 -9.205 -1.031 1.00 0.00 H new ATOM 597 N GLY B 20 3.309 -9.931 -3.781 1.00 0.00 N ATOM 598 CA GLY B 20 3.586 -11.084 -4.619 1.00 0.00 C ATOM 599 C GLY B 20 2.894 -12.346 -4.137 1.00 0.00 C ATOM 600 O GLY B 20 1.868 -12.746 -4.686 1.00 0.00 O ATOM 0 H GLY B 20 2.799 -9.179 -4.245 1.00 0.00 H new ATOM 0 HA2 GLY B 20 3.269 -10.869 -5.640 1.00 0.00 H new ATOM 0 HA3 GLY B 20 4.662 -11.255 -4.649 1.00 0.00 H new ATOM 604 N GLU B 21 3.459 -12.976 -3.112 1.00 0.00 N ATOM 605 CA GLU B 21 2.893 -14.204 -2.561 1.00 0.00 C ATOM 606 C GLU B 21 1.790 -13.907 -1.544 1.00 0.00 C ATOM 607 O GLU B 21 1.281 -14.817 -0.891 1.00 0.00 O ATOM 608 CB GLU B 21 3.989 -15.043 -1.904 1.00 0.00 C ATOM 609 CG GLU B 21 3.778 -16.542 -2.051 1.00 0.00 C ATOM 610 CD GLU B 21 4.370 -17.329 -0.899 1.00 0.00 C ATOM 611 OE1 GLU B 21 5.581 -17.632 -0.947 1.00 0.00 O ATOM 612 OE2 GLU B 21 3.624 -17.643 0.052 1.00 0.00 O ATOM 0 H GLU B 21 4.308 -12.657 -2.646 1.00 0.00 H new ATOM 0 HA GLU B 21 2.452 -14.763 -3.386 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.951 -14.775 -2.341 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.040 -14.794 -0.844 1.00 0.00 H new ATOM 0 HG2 GLU B 21 2.710 -16.750 -2.118 1.00 0.00 H new ATOM 0 HG3 GLU B 21 4.227 -16.879 -2.985 1.00 0.00 H new ATOM 619 N ARG B 22 1.421 -12.636 -1.414 1.00 0.00 N ATOM 620 CA ARG B 22 0.379 -12.237 -0.479 1.00 0.00 C ATOM 621 C ARG B 22 -0.642 -11.343 -1.168 1.00 0.00 C ATOM 622 O ARG B 22 -0.588 -10.119 -1.047 1.00 0.00 O ATOM 623 CB ARG B 22 0.989 -11.512 0.721 1.00 0.00 C ATOM 624 CG ARG B 22 2.033 -12.333 1.463 1.00 0.00 C ATOM 625 CD ARG B 22 3.445 -11.936 1.060 1.00 0.00 C ATOM 626 NE ARG B 22 4.061 -11.040 2.036 1.00 0.00 N ATOM 627 CZ ARG B 22 5.371 -10.822 2.119 1.00 0.00 C ATOM 628 NH1 ARG B 22 6.206 -11.432 1.287 1.00 0.00 N ATOM 629 NH2 ARG B 22 5.848 -9.991 3.036 1.00 0.00 N ATOM 0 H ARG B 22 1.829 -11.867 -1.945 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.127 -13.135 -0.125 1.00 0.00 H new ATOM 0 HB2 ARG B 22 1.445 -10.583 0.380 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.193 -11.241 1.414 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.908 -12.197 2.537 1.00 0.00 H new ATOM 0 HG3 ARG B 22 1.879 -13.392 1.256 1.00 0.00 H new ATOM 0 HD2 ARG B 22 4.057 -12.832 0.953 1.00 0.00 H new ATOM 0 HD3 ARG B 22 3.420 -11.449 0.085 1.00 0.00 H new ATOM 0 HE ARG B 22 3.451 -10.553 2.692 1.00 0.00 H new ATOM 0 HH11 ARG B 22 5.844 -12.072 0.579 1.00 0.00 H new ATOM 0 HH12 ARG B 22 7.209 -11.261 1.355 1.00 0.00 H new ATOM 0 HH21 ARG B 22 5.211 -9.519 3.678 1.00 0.00 H new ATOM 0 HH22 ARG B 22 6.852 -9.824 3.100 1.00 0.00 H new ATOM 643 N GLY B 23 -1.566 -11.969 -1.899 1.00 0.00 N ATOM 644 CA GLY B 23 -2.600 -11.232 -2.619 1.00 0.00 C ATOM 645 C GLY B 23 -3.023 -9.952 -1.921 1.00 0.00 C ATOM 646 O GLY B 23 -3.807 -9.982 -0.973 1.00 0.00 O ATOM 0 H GLY B 23 -1.618 -12.982 -2.007 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -2.235 -10.990 -3.617 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -3.472 -11.874 -2.746 1.00 0.00 H new ATOM 650 N PHE B 24 -2.492 -8.827 -2.390 1.00 0.00 N ATOM 651 CA PHE B 24 -2.803 -7.526 -1.809 1.00 0.00 C ATOM 652 C PHE B 24 -4.307 -7.278 -1.767 1.00 0.00 C ATOM 653 O PHE B 24 -5.097 -8.098 -2.235 1.00 0.00 O ATOM 654 CB PHE B 24 -2.117 -6.415 -2.602 1.00 0.00 C ATOM 655 CG PHE B 24 -2.629 -6.278 -4.009 1.00 0.00 C ATOM 656 CD1 PHE B 24 -2.126 -7.076 -5.024 1.00 0.00 C ATOM 657 CD2 PHE B 24 -3.613 -5.352 -4.315 1.00 0.00 C ATOM 658 CE1 PHE B 24 -2.594 -6.952 -6.318 1.00 0.00 C ATOM 659 CE2 PHE B 24 -4.086 -5.223 -5.607 1.00 0.00 C ATOM 660 CZ PHE B 24 -3.576 -6.026 -6.610 1.00 0.00 C ATOM 0 H PHE B 24 -1.841 -8.791 -3.175 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.430 -7.523 -0.785 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.255 -5.468 -2.080 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.045 -6.609 -2.631 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -1.359 -7.803 -4.801 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -4.015 -4.723 -3.534 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -2.192 -7.579 -7.100 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -4.852 -4.496 -5.833 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.945 -5.929 -7.620 1.00 0.00 H new ATOM 670 N PHE B 25 -4.694 -6.139 -1.202 1.00 0.00 N ATOM 671 CA PHE B 25 -6.101 -5.778 -1.094 1.00 0.00 C ATOM 672 C PHE B 25 -6.488 -4.760 -2.168 1.00 0.00 C ATOM 673 O PHE B 25 -7.000 -5.130 -3.224 1.00 0.00 O ATOM 674 CB PHE B 25 -6.398 -5.226 0.305 1.00 0.00 C ATOM 675 CG PHE B 25 -7.823 -4.795 0.494 1.00 0.00 C ATOM 676 CD1 PHE B 25 -8.861 -5.695 0.318 1.00 0.00 C ATOM 677 CD2 PHE B 25 -8.124 -3.490 0.845 1.00 0.00 C ATOM 678 CE1 PHE B 25 -10.175 -5.300 0.490 1.00 0.00 C ATOM 679 CE2 PHE B 25 -9.435 -3.088 1.018 1.00 0.00 C ATOM 680 CZ PHE B 25 -10.462 -3.995 0.840 1.00 0.00 C ATOM 0 H PHE B 25 -4.051 -5.450 -0.812 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.700 -6.675 -1.251 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.157 -5.989 1.045 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -5.742 -4.377 0.497 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.642 -6.716 0.043 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.325 -2.777 0.985 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -10.976 -6.011 0.351 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -9.656 -2.067 1.292 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.488 -3.684 0.974 1.00 0.00 H new ATOM 690 N TYR B 26 -6.239 -3.477 -1.889 1.00 0.00 N ATOM 691 CA TYR B 26 -6.559 -2.392 -2.823 1.00 0.00 C ATOM 692 C TYR B 26 -7.839 -2.676 -3.608 1.00 0.00 C ATOM 693 O TYR B 26 -7.791 -2.972 -4.802 1.00 0.00 O ATOM 694 CB TYR B 26 -5.401 -2.159 -3.797 1.00 0.00 C ATOM 695 CG TYR B 26 -5.541 -0.895 -4.623 1.00 0.00 C ATOM 696 CD1 TYR B 26 -6.476 0.085 -4.295 1.00 0.00 C ATOM 697 CD2 TYR B 26 -4.736 -0.681 -5.735 1.00 0.00 C ATOM 698 CE1 TYR B 26 -6.602 1.235 -5.049 1.00 0.00 C ATOM 699 CE2 TYR B 26 -4.857 0.468 -6.493 1.00 0.00 C ATOM 700 CZ TYR B 26 -5.790 1.422 -6.146 1.00 0.00 C ATOM 701 OH TYR B 26 -5.914 2.566 -6.901 1.00 0.00 O ATOM 0 H TYR B 26 -5.814 -3.162 -1.017 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.718 -1.494 -2.227 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.469 -2.113 -3.234 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -5.326 -3.014 -4.469 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -7.114 -0.058 -3.435 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -4.004 -1.425 -6.012 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -7.333 1.983 -4.780 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -4.223 0.618 -7.354 1.00 0.00 H new ATOM 0 HH TYR B 26 -6.216 3.303 -6.331 1.00 0.00 H new ATOM 711 N THR B 27 -8.981 -2.589 -2.935 1.00 0.00 N ATOM 712 CA THR B 27 -10.261 -2.841 -3.583 1.00 0.00 C ATOM 713 C THR B 27 -11.380 -2.044 -2.922 1.00 0.00 C ATOM 714 O THR B 27 -11.373 -1.830 -1.710 1.00 0.00 O ATOM 715 CB THR B 27 -10.589 -4.335 -3.544 1.00 0.00 C ATOM 716 OG1 THR B 27 -10.256 -4.889 -2.283 1.00 0.00 O ATOM 717 CG2 THR B 27 -9.860 -5.134 -4.604 1.00 0.00 C ATOM 0 H THR B 27 -9.046 -2.347 -1.946 1.00 0.00 H new ATOM 0 HA THR B 27 -10.181 -2.519 -4.621 1.00 0.00 H new ATOM 0 HB THR B 27 -11.660 -4.402 -3.733 1.00 0.00 H new ATOM 0 HG1 THR B 27 -10.586 -4.302 -1.571 1.00 0.00 H new ATOM 0 HG21 THR B 27 -10.137 -6.185 -4.522 1.00 0.00 H new ATOM 0 HG22 THR B 27 -10.134 -4.763 -5.592 1.00 0.00 H new ATOM 0 HG23 THR B 27 -8.784 -5.030 -4.463 1.00 0.00 H new ATOM 725 N LYS B 28 -12.340 -1.606 -3.729 1.00 0.00 N ATOM 726 CA LYS B 28 -13.467 -0.831 -3.228 1.00 0.00 C ATOM 727 C LYS B 28 -14.725 -1.088 -4.061 1.00 0.00 C ATOM 728 O LYS B 28 -15.381 -0.149 -4.512 1.00 0.00 O ATOM 729 CB LYS B 28 -13.125 0.660 -3.243 1.00 0.00 C ATOM 730 CG LYS B 28 -11.996 1.036 -2.296 1.00 0.00 C ATOM 731 CD LYS B 28 -12.402 0.852 -0.842 1.00 0.00 C ATOM 732 CE LYS B 28 -11.329 1.365 0.103 1.00 0.00 C ATOM 733 NZ LYS B 28 -11.492 2.816 0.394 1.00 0.00 N ATOM 0 H LYS B 28 -12.359 -1.775 -4.735 1.00 0.00 H new ATOM 0 HA LYS B 28 -13.667 -1.144 -2.203 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -12.849 0.951 -4.257 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -14.015 1.231 -2.978 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -11.121 0.423 -2.511 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -11.708 2.073 -2.466 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -13.337 1.380 -0.654 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -12.587 -0.204 -0.645 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -11.367 0.801 1.035 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -10.346 1.191 -0.335 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -10.740 3.127 1.042 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -11.430 3.357 -0.492 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -12.419 2.979 0.836 1.00 0.00 H new ATOM 747 N PRO B 29 -15.081 -2.369 -4.281 1.00 0.00 N ATOM 748 CA PRO B 29 -16.263 -2.736 -5.066 1.00 0.00 C ATOM 749 C PRO B 29 -17.547 -2.726 -4.257 1.00 0.00 C ATOM 750 O PRO B 29 -18.618 -3.081 -4.748 1.00 0.00 O ATOM 751 CB PRO B 29 -15.937 -4.150 -5.509 1.00 0.00 C ATOM 752 CG PRO B 29 -15.137 -4.715 -4.384 1.00 0.00 C ATOM 753 CD PRO B 29 -14.362 -3.563 -3.792 1.00 0.00 C ATOM 0 HA PRO B 29 -16.446 -2.031 -5.877 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -16.843 -4.731 -5.684 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -15.371 -4.154 -6.441 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -15.786 -5.171 -3.637 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -14.463 -5.494 -4.740 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -14.351 -3.606 -2.703 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -13.323 -3.568 -4.122 1.00 0.00 H new ATOM 761 N THR B 30 -17.419 -2.319 -3.019 1.00 0.00 N ATOM 762 CA THR B 30 -18.552 -2.250 -2.103 1.00 0.00 C ATOM 763 C THR B 30 -19.283 -0.919 -2.239 1.00 0.00 C ATOM 764 O THR B 30 -18.907 -0.126 -3.127 1.00 0.00 O ATOM 765 CB THR B 30 -18.082 -2.444 -0.660 1.00 0.00 C ATOM 766 OG1 THR B 30 -17.469 -1.265 -0.169 1.00 0.00 O ATOM 767 CG2 THR B 30 -17.091 -3.577 -0.498 1.00 0.00 C ATOM 768 OXT THR B 30 -20.227 -0.681 -1.456 1.00 0.00 O ATOM 0 H THR B 30 -16.532 -2.025 -2.609 1.00 0.00 H new ATOM 0 HA THR B 30 -19.245 -3.051 -2.362 1.00 0.00 H new ATOM 0 HB THR B 30 -18.982 -2.687 -0.095 1.00 0.00 H new ATOM 0 HG1 THR B 30 -17.177 -1.409 0.755 1.00 0.00 H new ATOM 0 HG21 THR B 30 -16.800 -3.659 0.549 1.00 0.00 H new ATOM 0 HG22 THR B 30 -17.550 -4.511 -0.821 1.00 0.00 H new ATOM 0 HG23 THR B 30 -16.208 -3.378 -1.106 1.00 0.00 H new TER 776 THR B 30