USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 374 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: B 1 PHE N :NH3+ -121:sc= 0.0867 (180deg=0) USER MOD Set 1.2: B 3 ASN : amide:sc= -6.56! C(o=-6.5!,f=-11!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.17 X(o=-0.17,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 74:sc= 0.185 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0669 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.943 K(o=-0.94,f=-3.2!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.429 K(o=-0.43,f=-3.7!) USER MOD Single : B 4 GLN : amide:sc= -0.201 K(o=-0.2,f=-3.1!) USER MOD Single : B 5 HIS : no HD1:sc= -3.45 X(o=-3.5,f=-3.9!) USER MOD Single : B 9 SER OG : rot -75:sc= -0.127! USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= -0.0331 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot -44:sc= 0.957 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.218 6.365 0.882 1.00 0.00 N ATOM 2 CA GLY A 1 -5.303 7.358 0.166 1.00 0.00 C ATOM 3 C GLY A 1 -3.838 7.080 0.099 1.00 0.00 C ATOM 4 O GLY A 1 -3.039 7.783 0.685 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.200 6.704 0.839 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.152 5.436 0.419 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.925 6.278 1.876 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.665 7.459 -0.857 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.431 8.328 0.647 1.00 0.00 H new ATOM 10 N ILE A 2 -3.443 6.057 -0.613 1.00 0.00 N ATOM 11 CA ILE A 2 -1.993 5.737 -0.715 1.00 0.00 C ATOM 12 C ILE A 2 -1.499 6.137 -2.101 1.00 0.00 C ATOM 13 O ILE A 2 -0.339 6.431 -2.304 1.00 0.00 O ATOM 14 CB ILE A 2 -1.789 4.238 -0.510 1.00 0.00 C ATOM 15 CG1 ILE A 2 -0.302 3.893 -0.649 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.590 3.471 -1.560 1.00 0.00 C ATOM 17 CD1 ILE A 2 -0.082 2.424 -0.287 1.00 0.00 C ATOM 0 H ILE A 2 -4.063 5.431 -1.127 1.00 0.00 H new ATOM 0 HA ILE A 2 -1.435 6.282 0.047 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.130 3.960 0.487 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.032 4.081 -1.670 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.293 4.532 0.004 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.446 2.400 -1.416 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.648 3.712 -1.458 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.248 3.753 -2.556 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.976 2.179 -0.386 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.400 2.251 0.741 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.665 1.793 -0.958 1.00 0.00 H new ATOM 29 N VAL A 3 -2.383 6.147 -3.056 1.00 0.00 N ATOM 30 CA VAL A 3 -1.992 6.521 -4.438 1.00 0.00 C ATOM 31 C VAL A 3 -1.377 7.922 -4.444 1.00 0.00 C ATOM 32 O VAL A 3 -0.538 8.238 -5.264 1.00 0.00 O ATOM 33 CB VAL A 3 -3.236 6.505 -5.324 1.00 0.00 C ATOM 34 CG1 VAL A 3 -2.825 6.696 -6.779 1.00 0.00 C ATOM 35 CG2 VAL A 3 -3.952 5.161 -5.169 1.00 0.00 C ATOM 0 H VAL A 3 -3.368 5.910 -2.936 1.00 0.00 H new ATOM 0 HA VAL A 3 -1.257 5.810 -4.816 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.906 7.312 -5.027 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.712 6.685 -7.412 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.312 7.651 -6.890 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.156 5.889 -7.077 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.840 5.147 -5.800 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.282 4.355 -5.468 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.244 5.022 -4.128 1.00 0.00 H new ATOM 45 N GLU A 4 -1.787 8.766 -3.538 1.00 0.00 N ATOM 46 CA GLU A 4 -1.224 10.145 -3.497 1.00 0.00 C ATOM 47 C GLU A 4 -0.097 10.209 -2.466 1.00 0.00 C ATOM 48 O GLU A 4 0.887 10.898 -2.648 1.00 0.00 O ATOM 49 CB GLU A 4 -2.329 11.132 -3.108 1.00 0.00 C ATOM 50 CG GLU A 4 -1.745 12.543 -3.019 1.00 0.00 C ATOM 51 CD GLU A 4 -2.867 13.544 -2.738 1.00 0.00 C ATOM 52 OE1 GLU A 4 -3.482 13.436 -1.689 1.00 0.00 O ATOM 53 OE2 GLU A 4 -3.093 14.403 -3.574 1.00 0.00 O ATOM 0 H GLU A 4 -2.487 8.561 -2.825 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.829 10.406 -4.479 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.131 11.105 -3.845 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.766 10.847 -2.151 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.996 12.589 -2.228 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.240 12.798 -3.951 1.00 0.00 H new ATOM 60 N GLN A 5 -0.234 9.501 -1.379 1.00 0.00 N ATOM 61 CA GLN A 5 0.826 9.527 -0.335 1.00 0.00 C ATOM 62 C GLN A 5 2.064 8.772 -0.827 1.00 0.00 C ATOM 63 O GLN A 5 3.183 9.155 -0.551 1.00 0.00 O ATOM 64 CB GLN A 5 0.292 8.868 0.936 1.00 0.00 C ATOM 65 CG GLN A 5 0.148 9.924 2.033 1.00 0.00 C ATOM 66 CD GLN A 5 -1.215 10.611 1.914 1.00 0.00 C ATOM 67 OE1 GLN A 5 -2.067 10.444 2.762 1.00 0.00 O ATOM 68 NE2 GLN A 5 -1.457 11.383 0.890 1.00 0.00 N ATOM 0 H GLN A 5 -1.035 8.905 -1.169 1.00 0.00 H new ATOM 0 HA GLN A 5 1.104 10.560 -0.125 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.672 8.399 0.738 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.970 8.079 1.262 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.247 9.459 3.014 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.946 10.661 1.948 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.741 11.524 0.177 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.362 11.846 0.803 1.00 0.00 H new ATOM 77 N CYS A 6 1.880 7.704 -1.553 1.00 0.00 N ATOM 78 CA CYS A 6 3.059 6.941 -2.055 1.00 0.00 C ATOM 79 C CYS A 6 3.753 7.750 -3.151 1.00 0.00 C ATOM 80 O CYS A 6 4.964 7.763 -3.255 1.00 0.00 O ATOM 81 CB CYS A 6 2.601 5.600 -2.631 1.00 0.00 C ATOM 82 SG CYS A 6 3.087 4.260 -1.516 1.00 0.00 S ATOM 0 H CYS A 6 0.970 7.328 -1.820 1.00 0.00 H new ATOM 0 HA CYS A 6 3.751 6.763 -1.232 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.519 5.601 -2.764 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.043 5.446 -3.615 1.00 0.00 H new ATOM 87 N CYS A 7 2.993 8.422 -3.971 1.00 0.00 N ATOM 88 CA CYS A 7 3.607 9.228 -5.062 1.00 0.00 C ATOM 89 C CYS A 7 4.125 10.548 -4.491 1.00 0.00 C ATOM 90 O CYS A 7 5.175 11.029 -4.869 1.00 0.00 O ATOM 91 CB CYS A 7 2.558 9.512 -6.140 1.00 0.00 C ATOM 92 SG CYS A 7 3.372 9.645 -7.751 1.00 0.00 S ATOM 0 H CYS A 7 1.974 8.448 -3.932 1.00 0.00 H new ATOM 0 HA CYS A 7 4.436 8.673 -5.501 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.816 8.714 -6.160 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.027 10.436 -5.911 1.00 0.00 H new ATOM 97 N THR A 8 3.402 11.138 -3.580 1.00 0.00 N ATOM 98 CA THR A 8 3.863 12.422 -2.984 1.00 0.00 C ATOM 99 C THR A 8 4.709 12.130 -1.744 1.00 0.00 C ATOM 100 O THR A 8 5.194 13.029 -1.086 1.00 0.00 O ATOM 101 CB THR A 8 2.651 13.269 -2.586 1.00 0.00 C ATOM 102 OG1 THR A 8 1.966 13.693 -3.756 1.00 0.00 O ATOM 103 CG2 THR A 8 3.119 14.494 -1.796 1.00 0.00 C ATOM 0 H THR A 8 2.513 10.787 -3.223 1.00 0.00 H new ATOM 0 HA THR A 8 4.460 12.967 -3.715 1.00 0.00 H new ATOM 0 HB THR A 8 1.980 12.674 -1.967 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.189 14.234 -3.502 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.256 15.096 -1.513 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.644 14.169 -0.898 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.791 15.090 -2.414 1.00 0.00 H new ATOM 111 N SER A 9 4.891 10.878 -1.417 1.00 0.00 N ATOM 112 CA SER A 9 5.705 10.534 -0.218 1.00 0.00 C ATOM 113 C SER A 9 6.357 9.162 -0.409 1.00 0.00 C ATOM 114 O SER A 9 5.804 8.283 -1.040 1.00 0.00 O ATOM 115 CB SER A 9 4.802 10.499 1.015 1.00 0.00 C ATOM 116 OG SER A 9 3.677 11.340 0.798 1.00 0.00 O ATOM 0 H SER A 9 4.511 10.081 -1.928 1.00 0.00 H new ATOM 0 HA SER A 9 6.482 11.286 -0.083 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.475 9.478 1.211 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.354 10.831 1.894 1.00 0.00 H new ATOM 0 HG SER A 9 3.058 10.904 0.175 1.00 0.00 H new ATOM 122 N ILE A 10 7.528 8.975 0.136 1.00 0.00 N ATOM 123 CA ILE A 10 8.221 7.663 0.000 1.00 0.00 C ATOM 124 C ILE A 10 7.517 6.627 0.876 1.00 0.00 C ATOM 125 O ILE A 10 7.217 6.882 2.025 1.00 0.00 O ATOM 126 CB ILE A 10 9.668 7.809 0.473 1.00 0.00 C ATOM 127 CG1 ILE A 10 10.383 8.870 -0.381 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.383 6.458 0.366 1.00 0.00 C ATOM 129 CD1 ILE A 10 10.997 8.231 -1.630 1.00 0.00 C ATOM 0 H ILE A 10 8.037 9.678 0.672 1.00 0.00 H new ATOM 0 HA ILE A 10 8.199 7.344 -1.042 1.00 0.00 H new ATOM 0 HB ILE A 10 9.684 8.129 1.515 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.676 9.647 -0.673 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.163 9.354 0.208 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.414 6.564 0.704 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.871 5.725 0.989 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.373 6.122 -0.671 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.498 8.997 -2.222 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.720 7.471 -1.332 1.00 0.00 H new ATOM 0 HD13 ILE A 10 10.210 7.769 -2.226 1.00 0.00 H new ATOM 141 N CYS A 11 7.258 5.458 0.358 1.00 0.00 N ATOM 142 CA CYS A 11 6.582 4.425 1.198 1.00 0.00 C ATOM 143 C CYS A 11 7.469 3.184 1.284 1.00 0.00 C ATOM 144 O CYS A 11 7.904 2.648 0.283 1.00 0.00 O ATOM 145 CB CYS A 11 5.212 4.035 0.616 1.00 0.00 C ATOM 146 SG CYS A 11 5.029 4.625 -1.090 1.00 0.00 S ATOM 0 H CYS A 11 7.481 5.174 -0.596 1.00 0.00 H new ATOM 0 HA CYS A 11 6.422 4.845 2.191 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.098 2.951 0.643 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.419 4.454 1.235 1.00 0.00 H new ATOM 151 N SER A 12 7.746 2.724 2.474 1.00 0.00 N ATOM 152 CA SER A 12 8.609 1.520 2.621 1.00 0.00 C ATOM 153 C SER A 12 7.730 0.278 2.776 1.00 0.00 C ATOM 154 O SER A 12 6.555 0.373 3.078 1.00 0.00 O ATOM 155 CB SER A 12 9.501 1.676 3.855 1.00 0.00 C ATOM 156 OG SER A 12 8.793 2.387 4.861 1.00 0.00 O ATOM 0 H SER A 12 7.412 3.130 3.348 1.00 0.00 H new ATOM 0 HA SER A 12 9.235 1.412 1.735 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.799 0.696 4.228 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.415 2.209 3.592 1.00 0.00 H new ATOM 0 HG SER A 12 9.362 2.487 5.653 1.00 0.00 H new ATOM 162 N LEU A 13 8.295 -0.882 2.554 1.00 0.00 N ATOM 163 CA LEU A 13 7.516 -2.150 2.665 1.00 0.00 C ATOM 164 C LEU A 13 6.468 -2.051 3.772 1.00 0.00 C ATOM 165 O LEU A 13 5.347 -2.493 3.617 1.00 0.00 O ATOM 166 CB LEU A 13 8.463 -3.311 2.967 1.00 0.00 C ATOM 167 CG LEU A 13 7.653 -4.564 3.306 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.171 -5.744 2.483 1.00 0.00 C ATOM 169 CD2 LEU A 13 7.802 -4.881 4.795 1.00 0.00 C ATOM 0 H LEU A 13 9.275 -1.004 2.298 1.00 0.00 H new ATOM 0 HA LEU A 13 7.007 -2.323 1.717 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.104 -3.503 2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.116 -3.052 3.800 1.00 0.00 H new ATOM 0 HG LEU A 13 6.602 -4.390 3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.594 -6.637 2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.067 -5.521 1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.222 -5.917 2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.225 -5.774 5.036 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.853 -5.055 5.027 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.435 -4.041 5.384 1.00 0.00 H new ATOM 181 N TYR A 14 6.819 -1.482 4.885 1.00 0.00 N ATOM 182 CA TYR A 14 5.833 -1.366 5.995 1.00 0.00 C ATOM 183 C TYR A 14 4.488 -0.889 5.438 1.00 0.00 C ATOM 184 O TYR A 14 3.508 -1.610 5.453 1.00 0.00 O ATOM 185 CB TYR A 14 6.339 -0.357 7.028 1.00 0.00 C ATOM 186 CG TYR A 14 7.542 -0.925 7.744 1.00 0.00 C ATOM 187 CD1 TYR A 14 7.419 -2.103 8.492 1.00 0.00 C ATOM 188 CD2 TYR A 14 8.779 -0.274 7.661 1.00 0.00 C ATOM 189 CE1 TYR A 14 8.534 -2.629 9.160 1.00 0.00 C ATOM 190 CE2 TYR A 14 9.894 -0.800 8.328 1.00 0.00 C ATOM 191 CZ TYR A 14 9.771 -1.977 9.077 1.00 0.00 C ATOM 192 OH TYR A 14 10.870 -2.495 9.733 1.00 0.00 O ATOM 0 H TYR A 14 7.742 -1.092 5.077 1.00 0.00 H new ATOM 0 HA TYR A 14 5.708 -2.340 6.468 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.604 0.579 6.537 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.550 -0.129 7.745 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.465 -2.606 8.554 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.874 0.633 7.083 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.439 -3.536 9.738 1.00 0.00 H new ATOM 0 HE2 TYR A 14 10.848 -0.298 8.264 1.00 0.00 H new ATOM 0 HH TYR A 14 11.648 -1.922 9.571 1.00 0.00 H new ATOM 202 N GLN A 15 4.439 0.318 4.941 1.00 0.00 N ATOM 203 CA GLN A 15 3.165 0.854 4.385 1.00 0.00 C ATOM 204 C GLN A 15 2.604 -0.121 3.356 1.00 0.00 C ATOM 205 O GLN A 15 1.414 -0.350 3.286 1.00 0.00 O ATOM 206 CB GLN A 15 3.432 2.201 3.711 1.00 0.00 C ATOM 207 CG GLN A 15 3.351 3.320 4.751 1.00 0.00 C ATOM 208 CD GLN A 15 4.756 3.853 5.036 1.00 0.00 C ATOM 209 OE1 GLN A 15 5.468 4.240 4.131 1.00 0.00 O ATOM 210 NE2 GLN A 15 5.188 3.890 6.267 1.00 0.00 N ATOM 0 H GLN A 15 5.232 0.958 4.897 1.00 0.00 H new ATOM 0 HA GLN A 15 2.445 0.983 5.193 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.416 2.196 3.243 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.703 2.374 2.919 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.712 4.124 4.386 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.899 2.946 5.670 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.590 3.565 7.027 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.123 4.244 6.469 1.00 0.00 H new ATOM 219 N LEU A 16 3.451 -0.695 2.552 1.00 0.00 N ATOM 220 CA LEU A 16 2.963 -1.654 1.520 1.00 0.00 C ATOM 221 C LEU A 16 2.228 -2.810 2.195 1.00 0.00 C ATOM 222 O LEU A 16 1.088 -3.101 1.889 1.00 0.00 O ATOM 223 CB LEU A 16 4.145 -2.210 0.745 1.00 0.00 C ATOM 224 CG LEU A 16 4.694 -1.121 -0.167 1.00 0.00 C ATOM 225 CD1 LEU A 16 6.133 -0.817 0.218 1.00 0.00 C ATOM 226 CD2 LEU A 16 4.652 -1.603 -1.612 1.00 0.00 C ATOM 0 H LEU A 16 4.460 -0.543 2.563 1.00 0.00 H new ATOM 0 HA LEU A 16 2.286 -1.133 0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.919 -2.552 1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.837 -3.074 0.157 1.00 0.00 H new ATOM 0 HG LEU A 16 4.089 -0.220 -0.063 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.527 -0.038 -0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.169 -0.477 1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.736 -1.719 0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.045 -0.825 -2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.259 -2.503 -1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.622 -1.827 -1.891 1.00 0.00 H new ATOM 238 N GLU A 17 2.879 -3.476 3.110 1.00 0.00 N ATOM 239 CA GLU A 17 2.230 -4.624 3.808 1.00 0.00 C ATOM 240 C GLU A 17 0.894 -4.182 4.410 1.00 0.00 C ATOM 241 O GLU A 17 0.059 -4.996 4.751 1.00 0.00 O ATOM 242 CB GLU A 17 3.152 -5.131 4.923 1.00 0.00 C ATOM 243 CG GLU A 17 3.510 -6.596 4.663 1.00 0.00 C ATOM 244 CD GLU A 17 2.632 -7.500 5.528 1.00 0.00 C ATOM 245 OE1 GLU A 17 1.470 -7.662 5.193 1.00 0.00 O ATOM 246 OE2 GLU A 17 3.135 -8.016 6.513 1.00 0.00 O ATOM 0 H GLU A 17 3.834 -3.274 3.405 1.00 0.00 H new ATOM 0 HA GLU A 17 2.050 -5.424 3.090 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.058 -4.526 4.964 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.659 -5.032 5.890 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.367 -6.834 3.609 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.562 -6.769 4.889 1.00 0.00 H new ATOM 253 N ASN A 18 0.684 -2.903 4.549 1.00 0.00 N ATOM 254 CA ASN A 18 -0.597 -2.420 5.133 1.00 0.00 C ATOM 255 C ASN A 18 -1.645 -2.263 4.027 1.00 0.00 C ATOM 256 O ASN A 18 -2.692 -1.682 4.232 1.00 0.00 O ATOM 257 CB ASN A 18 -0.368 -1.065 5.806 1.00 0.00 C ATOM 258 CG ASN A 18 -0.753 -1.152 7.283 1.00 0.00 C ATOM 259 OD1 ASN A 18 0.072 -1.458 8.121 1.00 0.00 O ATOM 260 ND2 ASN A 18 -1.981 -0.891 7.642 1.00 0.00 N ATOM 0 H ASN A 18 1.344 -2.172 4.284 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.952 -3.143 5.868 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.677 -0.772 5.709 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.961 -0.297 5.310 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.247 -0.944 8.625 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.674 -0.634 6.939 1.00 0.00 H new ATOM 267 N TYR A 19 -1.373 -2.772 2.856 1.00 0.00 N ATOM 268 CA TYR A 19 -2.361 -2.641 1.748 1.00 0.00 C ATOM 269 C TYR A 19 -2.440 -3.956 0.974 1.00 0.00 C ATOM 270 O TYR A 19 -2.477 -3.971 -0.241 1.00 0.00 O ATOM 271 CB TYR A 19 -1.922 -1.523 0.804 1.00 0.00 C ATOM 272 CG TYR A 19 -1.816 -0.231 1.575 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.975 0.401 2.047 1.00 0.00 C ATOM 274 CD2 TYR A 19 -0.561 0.340 1.815 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.875 1.603 2.760 1.00 0.00 C ATOM 276 CE2 TYR A 19 -0.461 1.543 2.526 1.00 0.00 C ATOM 277 CZ TYR A 19 -1.619 2.175 2.999 1.00 0.00 C ATOM 278 OH TYR A 19 -1.521 3.361 3.697 1.00 0.00 O ATOM 0 H TYR A 19 -0.515 -3.270 2.620 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.341 -2.405 2.163 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.961 -1.770 0.352 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.639 -1.416 -0.010 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.944 -0.038 1.861 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.332 -0.147 1.452 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.767 2.089 3.126 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.508 1.983 2.710 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.578 3.618 3.775 1.00 0.00 H new ATOM 288 N CYS A 20 -2.467 -5.060 1.664 1.00 0.00 N ATOM 289 CA CYS A 20 -2.545 -6.372 0.962 1.00 0.00 C ATOM 290 C CYS A 20 -2.840 -7.475 1.978 1.00 0.00 C ATOM 291 O CYS A 20 -2.639 -7.308 3.165 1.00 0.00 O ATOM 292 CB CYS A 20 -1.210 -6.657 0.270 1.00 0.00 C ATOM 293 SG CYS A 20 -1.297 -8.259 -0.568 1.00 0.00 S ATOM 0 H CYS A 20 -2.439 -5.112 2.682 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.341 -6.342 0.218 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.985 -5.870 -0.449 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.402 -6.660 1.002 1.00 0.00 H new ATOM 298 N ASN A 21 -3.318 -8.602 1.527 1.00 0.00 N ATOM 299 CA ASN A 21 -3.623 -9.705 2.479 1.00 0.00 C ATOM 300 C ASN A 21 -2.316 -10.232 3.077 1.00 0.00 C ATOM 301 O ASN A 21 -1.272 -9.720 2.710 1.00 0.00 O ATOM 302 CB ASN A 21 -4.341 -10.837 1.743 1.00 0.00 C ATOM 303 CG ASN A 21 -5.467 -11.379 2.624 1.00 0.00 C ATOM 304 OD1 ASN A 21 -5.811 -10.783 3.626 1.00 0.00 O ATOM 305 ND2 ASN A 21 -6.059 -12.493 2.294 1.00 0.00 N ATOM 306 OXT ASN A 21 -2.383 -11.137 3.892 1.00 0.00 O ATOM 0 H ASN A 21 -3.509 -8.806 0.546 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.266 -9.330 3.276 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.746 -10.473 0.799 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.637 -11.633 1.502 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.810 -12.863 2.876 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.771 -12.994 1.453 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 15.450 -2.768 -0.322 1.00 0.00 N ATOM 315 CA PHE B 1 14.144 -2.943 -1.019 1.00 0.00 C ATOM 316 C PHE B 1 13.739 -1.627 -1.688 1.00 0.00 C ATOM 317 O PHE B 1 14.318 -0.588 -1.437 1.00 0.00 O ATOM 318 CB PHE B 1 13.078 -3.351 -0.002 1.00 0.00 C ATOM 319 CG PHE B 1 11.956 -4.071 -0.709 1.00 0.00 C ATOM 320 CD1 PHE B 1 12.243 -5.130 -1.581 1.00 0.00 C ATOM 321 CD2 PHE B 1 10.629 -3.679 -0.495 1.00 0.00 C ATOM 322 CE1 PHE B 1 11.201 -5.797 -2.237 1.00 0.00 C ATOM 323 CE2 PHE B 1 9.587 -4.346 -1.151 1.00 0.00 C ATOM 324 CZ PHE B 1 9.872 -5.405 -2.023 1.00 0.00 C ATOM 0 H1 PHE B 1 16.143 -3.440 -0.709 1.00 0.00 H new ATOM 0 H2 PHE B 1 15.793 -1.797 -0.465 1.00 0.00 H new ATOM 0 H3 PHE B 1 15.327 -2.945 0.695 1.00 0.00 H new ATOM 0 HA PHE B 1 14.238 -3.719 -1.779 1.00 0.00 H new ATOM 0 HB2 PHE B 1 13.515 -3.996 0.760 1.00 0.00 H new ATOM 0 HB3 PHE B 1 12.693 -2.469 0.510 1.00 0.00 H new ATOM 0 HD1 PHE B 1 13.267 -5.431 -1.747 1.00 0.00 H new ATOM 0 HD2 PHE B 1 10.409 -2.862 0.176 1.00 0.00 H new ATOM 0 HE1 PHE B 1 11.421 -6.614 -2.908 1.00 0.00 H new ATOM 0 HE2 PHE B 1 8.563 -4.044 -0.985 1.00 0.00 H new ATOM 0 HZ PHE B 1 9.069 -5.919 -2.530 1.00 0.00 H new ATOM 336 N VAL B 2 12.749 -1.660 -2.542 1.00 0.00 N ATOM 337 CA VAL B 2 12.312 -0.415 -3.227 1.00 0.00 C ATOM 338 C VAL B 2 12.156 0.710 -2.201 1.00 0.00 C ATOM 339 O VAL B 2 13.058 1.496 -1.988 1.00 0.00 O ATOM 340 CB VAL B 2 10.973 -0.659 -3.930 1.00 0.00 C ATOM 341 CG1 VAL B 2 11.223 -1.177 -5.348 1.00 0.00 C ATOM 342 CG2 VAL B 2 10.147 -1.688 -3.150 1.00 0.00 C ATOM 0 H VAL B 2 12.226 -2.499 -2.793 1.00 0.00 H new ATOM 0 HA VAL B 2 13.061 -0.128 -3.965 1.00 0.00 H new ATOM 0 HB VAL B 2 10.422 0.281 -3.975 1.00 0.00 H new ATOM 0 HG11 VAL B 2 10.269 -1.350 -5.846 1.00 0.00 H new ATOM 0 HG12 VAL B 2 11.797 -0.439 -5.909 1.00 0.00 H new ATOM 0 HG13 VAL B 2 11.782 -2.112 -5.301 1.00 0.00 H new ATOM 0 HG21 VAL B 2 9.197 -1.854 -3.659 1.00 0.00 H new ATOM 0 HG22 VAL B 2 10.697 -2.628 -3.093 1.00 0.00 H new ATOM 0 HG23 VAL B 2 9.959 -1.316 -2.143 1.00 0.00 H new ATOM 352 N ASN B 3 11.020 0.798 -1.562 1.00 0.00 N ATOM 353 CA ASN B 3 10.820 1.880 -0.554 1.00 0.00 C ATOM 354 C ASN B 3 11.033 3.234 -1.230 1.00 0.00 C ATOM 355 O ASN B 3 11.370 4.213 -0.595 1.00 0.00 O ATOM 356 CB ASN B 3 11.825 1.718 0.596 1.00 0.00 C ATOM 357 CG ASN B 3 12.346 0.277 0.639 1.00 0.00 C ATOM 358 OD1 ASN B 3 11.582 -0.660 0.521 1.00 0.00 O ATOM 359 ND2 ASN B 3 13.622 0.061 0.803 1.00 0.00 N ATOM 0 H ASN B 3 10.226 0.171 -1.693 1.00 0.00 H new ATOM 0 HA ASN B 3 9.809 1.820 -0.152 1.00 0.00 H new ATOM 0 HB2 ASN B 3 12.657 2.410 0.463 1.00 0.00 H new ATOM 0 HB3 ASN B 3 11.349 1.970 1.544 1.00 0.00 H new ATOM 0 HD21 ASN B 3 13.978 -0.894 0.832 1.00 0.00 H new ATOM 0 HD22 ASN B 3 14.264 0.848 0.902 1.00 0.00 H new ATOM 366 N GLN B 4 10.841 3.293 -2.519 1.00 0.00 N ATOM 367 CA GLN B 4 11.035 4.579 -3.246 1.00 0.00 C ATOM 368 C GLN B 4 9.675 5.236 -3.503 1.00 0.00 C ATOM 369 O GLN B 4 8.772 5.161 -2.687 1.00 0.00 O ATOM 370 CB GLN B 4 11.737 4.301 -4.578 1.00 0.00 C ATOM 371 CG GLN B 4 12.653 5.475 -4.927 1.00 0.00 C ATOM 372 CD GLN B 4 14.043 5.229 -4.339 1.00 0.00 C ATOM 373 OE1 GLN B 4 14.343 4.139 -3.894 1.00 0.00 O ATOM 374 NE2 GLN B 4 14.910 6.203 -4.317 1.00 0.00 N ATOM 0 H GLN B 4 10.558 2.505 -3.101 1.00 0.00 H new ATOM 0 HA GLN B 4 11.646 5.252 -2.645 1.00 0.00 H new ATOM 0 HB2 GLN B 4 12.317 3.381 -4.510 1.00 0.00 H new ATOM 0 HB3 GLN B 4 10.999 4.155 -5.367 1.00 0.00 H new ATOM 0 HG2 GLN B 4 12.719 5.589 -6.009 1.00 0.00 H new ATOM 0 HG3 GLN B 4 12.239 6.403 -4.533 1.00 0.00 H new ATOM 0 HE21 GLN B 4 14.658 7.118 -4.691 1.00 0.00 H new ATOM 0 HE22 GLN B 4 15.840 6.050 -3.926 1.00 0.00 H new ATOM 383 N HIS B 5 9.518 5.881 -4.634 1.00 0.00 N ATOM 384 CA HIS B 5 8.219 6.540 -4.950 1.00 0.00 C ATOM 385 C HIS B 5 7.296 5.529 -5.631 1.00 0.00 C ATOM 386 O HIS B 5 7.590 5.024 -6.695 1.00 0.00 O ATOM 387 CB HIS B 5 8.459 7.716 -5.898 1.00 0.00 C ATOM 388 CG HIS B 5 9.348 8.729 -5.234 1.00 0.00 C ATOM 389 ND1 HIS B 5 10.431 9.274 -5.890 1.00 0.00 N ATOM 390 CD2 HIS B 5 9.302 9.287 -3.987 1.00 0.00 C ATOM 391 CE1 HIS B 5 11.003 10.135 -5.038 1.00 0.00 C ATOM 392 NE2 HIS B 5 10.347 10.177 -3.860 1.00 0.00 N ATOM 0 H HIS B 5 10.237 5.978 -5.351 1.00 0.00 H new ATOM 0 HA HIS B 5 7.761 6.901 -4.029 1.00 0.00 H new ATOM 0 HB2 HIS B 5 8.919 7.363 -6.821 1.00 0.00 H new ATOM 0 HB3 HIS B 5 7.509 8.175 -6.171 1.00 0.00 H new ATOM 0 HD2 HIS B 5 8.568 9.067 -3.226 1.00 0.00 H new ATOM 0 HE1 HIS B 5 11.880 10.722 -5.266 1.00 0.00 H new ATOM 0 HE2 HIS B 5 10.576 10.748 -3.046 1.00 0.00 H new ATOM 400 N LEU B 6 6.180 5.230 -5.029 1.00 0.00 N ATOM 401 CA LEU B 6 5.242 4.256 -5.643 1.00 0.00 C ATOM 402 C LEU B 6 4.101 5.019 -6.314 1.00 0.00 C ATOM 403 O LEU B 6 3.294 5.650 -5.662 1.00 0.00 O ATOM 404 CB LEU B 6 4.699 3.333 -4.553 1.00 0.00 C ATOM 405 CG LEU B 6 5.843 2.913 -3.629 1.00 0.00 C ATOM 406 CD1 LEU B 6 5.325 1.916 -2.591 1.00 0.00 C ATOM 407 CD2 LEU B 6 6.951 2.259 -4.459 1.00 0.00 C ATOM 0 H LEU B 6 5.878 5.620 -4.136 1.00 0.00 H new ATOM 0 HA LEU B 6 5.755 3.655 -6.393 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.924 3.843 -3.982 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.237 2.454 -5.002 1.00 0.00 H new ATOM 0 HG LEU B 6 6.239 3.791 -3.119 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.142 1.618 -1.934 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.536 2.382 -2.001 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.928 1.037 -3.098 1.00 0.00 H new ATOM 0 HD21 LEU B 6 7.768 1.959 -3.803 1.00 0.00 H new ATOM 0 HD22 LEU B 6 6.554 1.381 -4.969 1.00 0.00 H new ATOM 0 HD23 LEU B 6 7.321 2.971 -5.197 1.00 0.00 H new ATOM 419 N CYS B 7 4.035 4.985 -7.617 1.00 0.00 N ATOM 420 CA CYS B 7 2.954 5.727 -8.321 1.00 0.00 C ATOM 421 C CYS B 7 2.251 4.819 -9.337 1.00 0.00 C ATOM 422 O CYS B 7 2.882 4.210 -10.180 1.00 0.00 O ATOM 423 CB CYS B 7 3.557 6.922 -9.059 1.00 0.00 C ATOM 424 SG CYS B 7 4.472 7.957 -7.890 1.00 0.00 S ATOM 0 H CYS B 7 4.681 4.477 -8.222 1.00 0.00 H new ATOM 0 HA CYS B 7 2.227 6.066 -7.583 1.00 0.00 H new ATOM 0 HB2 CYS B 7 4.221 6.576 -9.851 1.00 0.00 H new ATOM 0 HB3 CYS B 7 2.768 7.504 -9.536 1.00 0.00 H new ATOM 429 N GLY B 8 0.946 4.746 -9.270 1.00 0.00 N ATOM 430 CA GLY B 8 0.169 3.905 -10.232 1.00 0.00 C ATOM 431 C GLY B 8 0.937 2.629 -10.587 1.00 0.00 C ATOM 432 O GLY B 8 1.245 1.823 -9.734 1.00 0.00 O ATOM 0 H GLY B 8 0.378 5.239 -8.581 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -0.796 3.644 -9.796 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -0.034 4.476 -11.138 1.00 0.00 H new ATOM 436 N SER B 9 1.234 2.443 -11.849 1.00 0.00 N ATOM 437 CA SER B 9 1.973 1.219 -12.288 1.00 0.00 C ATOM 438 C SER B 9 3.025 0.840 -11.244 1.00 0.00 C ATOM 439 O SER B 9 2.934 -0.189 -10.604 1.00 0.00 O ATOM 440 CB SER B 9 2.662 1.497 -13.624 1.00 0.00 C ATOM 441 OG SER B 9 3.811 2.302 -13.398 1.00 0.00 O ATOM 0 H SER B 9 0.995 3.091 -12.599 1.00 0.00 H new ATOM 0 HA SER B 9 1.268 0.395 -12.400 1.00 0.00 H new ATOM 0 HB2 SER B 9 2.948 0.560 -14.101 1.00 0.00 H new ATOM 0 HB3 SER B 9 1.976 2.004 -14.302 1.00 0.00 H new ATOM 0 HG SER B 9 3.534 3.224 -13.216 1.00 0.00 H new ATOM 447 N ASP B 10 4.015 1.666 -11.058 1.00 0.00 N ATOM 448 CA ASP B 10 5.061 1.353 -10.045 1.00 0.00 C ATOM 449 C ASP B 10 4.374 0.959 -8.740 1.00 0.00 C ATOM 450 O ASP B 10 4.768 0.027 -8.068 1.00 0.00 O ATOM 451 CB ASP B 10 5.917 2.594 -9.807 1.00 0.00 C ATOM 452 CG ASP B 10 6.596 3.005 -11.115 1.00 0.00 C ATOM 453 OD1 ASP B 10 6.271 2.424 -12.137 1.00 0.00 O ATOM 454 OD2 ASP B 10 7.429 3.895 -11.072 1.00 0.00 O ATOM 0 H ASP B 10 4.146 2.543 -11.562 1.00 0.00 H new ATOM 0 HA ASP B 10 5.692 0.537 -10.398 1.00 0.00 H new ATOM 0 HB2 ASP B 10 5.298 3.410 -9.435 1.00 0.00 H new ATOM 0 HB3 ASP B 10 6.668 2.390 -9.044 1.00 0.00 H new ATOM 459 N LEU B 11 3.342 1.670 -8.388 1.00 0.00 N ATOM 460 CA LEU B 11 2.604 1.356 -7.137 1.00 0.00 C ATOM 461 C LEU B 11 2.312 -0.142 -7.106 1.00 0.00 C ATOM 462 O LEU B 11 2.759 -0.856 -6.232 1.00 0.00 O ATOM 463 CB LEU B 11 1.290 2.145 -7.147 1.00 0.00 C ATOM 464 CG LEU B 11 0.684 2.321 -5.740 1.00 0.00 C ATOM 465 CD1 LEU B 11 1.759 2.334 -4.651 1.00 0.00 C ATOM 466 CD2 LEU B 11 -0.059 3.654 -5.704 1.00 0.00 C ATOM 0 H LEU B 11 2.976 2.461 -8.918 1.00 0.00 H new ATOM 0 HA LEU B 11 3.190 1.627 -6.258 1.00 0.00 H new ATOM 0 HB2 LEU B 11 1.465 3.127 -7.587 1.00 0.00 H new ATOM 0 HB3 LEU B 11 0.570 1.633 -7.786 1.00 0.00 H new ATOM 0 HG LEU B 11 0.018 1.481 -5.546 1.00 0.00 H new ATOM 0 HD11 LEU B 11 1.288 2.460 -3.676 1.00 0.00 H new ATOM 0 HD12 LEU B 11 2.307 1.392 -4.670 1.00 0.00 H new ATOM 0 HD13 LEU B 11 2.448 3.159 -4.830 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.497 3.800 -4.716 1.00 0.00 H new ATOM 0 HD22 LEU B 11 0.638 4.465 -5.916 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.850 3.650 -6.454 1.00 0.00 H new ATOM 478 N ALA B 12 1.578 -0.627 -8.071 1.00 0.00 N ATOM 479 CA ALA B 12 1.277 -2.081 -8.111 1.00 0.00 C ATOM 480 C ALA B 12 2.594 -2.841 -8.238 1.00 0.00 C ATOM 481 O ALA B 12 2.870 -3.747 -7.486 1.00 0.00 O ATOM 482 CB ALA B 12 0.388 -2.398 -9.315 1.00 0.00 C ATOM 0 H ALA B 12 1.176 -0.078 -8.831 1.00 0.00 H new ATOM 0 HA ALA B 12 0.754 -2.376 -7.201 1.00 0.00 H new ATOM 0 HB1 ALA B 12 0.172 -3.466 -9.337 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -0.545 -1.841 -9.235 1.00 0.00 H new ATOM 0 HB3 ALA B 12 0.903 -2.113 -10.233 1.00 0.00 H new ATOM 488 N GLU B 13 3.417 -2.466 -9.180 1.00 0.00 N ATOM 489 CA GLU B 13 4.721 -3.164 -9.347 1.00 0.00 C ATOM 490 C GLU B 13 5.360 -3.365 -7.973 1.00 0.00 C ATOM 491 O GLU B 13 6.000 -4.365 -7.718 1.00 0.00 O ATOM 492 CB GLU B 13 5.647 -2.315 -10.222 1.00 0.00 C ATOM 493 CG GLU B 13 6.197 -3.170 -11.366 1.00 0.00 C ATOM 494 CD GLU B 13 7.610 -2.703 -11.715 1.00 0.00 C ATOM 495 OE1 GLU B 13 8.442 -2.676 -10.822 1.00 0.00 O ATOM 496 OE2 GLU B 13 7.839 -2.380 -12.869 1.00 0.00 O ATOM 0 H GLU B 13 3.242 -1.708 -9.839 1.00 0.00 H new ATOM 0 HA GLU B 13 4.562 -4.131 -9.824 1.00 0.00 H new ATOM 0 HB2 GLU B 13 5.103 -1.460 -10.623 1.00 0.00 H new ATOM 0 HB3 GLU B 13 6.467 -1.919 -9.624 1.00 0.00 H new ATOM 0 HG2 GLU B 13 6.211 -4.220 -11.075 1.00 0.00 H new ATOM 0 HG3 GLU B 13 5.549 -3.089 -12.239 1.00 0.00 H new ATOM 503 N ALA B 14 5.189 -2.427 -7.082 1.00 0.00 N ATOM 504 CA ALA B 14 5.788 -2.584 -5.726 1.00 0.00 C ATOM 505 C ALA B 14 5.000 -3.636 -4.952 1.00 0.00 C ATOM 506 O ALA B 14 5.559 -4.581 -4.430 1.00 0.00 O ATOM 507 CB ALA B 14 5.733 -1.249 -4.980 1.00 0.00 C ATOM 0 H ALA B 14 4.665 -1.565 -7.232 1.00 0.00 H new ATOM 0 HA ALA B 14 6.828 -2.898 -5.819 1.00 0.00 H new ATOM 0 HB1 ALA B 14 6.172 -1.368 -3.989 1.00 0.00 H new ATOM 0 HB2 ALA B 14 6.293 -0.498 -5.537 1.00 0.00 H new ATOM 0 HB3 ALA B 14 4.695 -0.930 -4.882 1.00 0.00 H new ATOM 513 N LEU B 15 3.703 -3.494 -4.880 1.00 0.00 N ATOM 514 CA LEU B 15 2.892 -4.503 -4.146 1.00 0.00 C ATOM 515 C LEU B 15 2.944 -5.826 -4.916 1.00 0.00 C ATOM 516 O LEU B 15 2.809 -6.896 -4.359 1.00 0.00 O ATOM 517 CB LEU B 15 1.443 -4.026 -4.053 1.00 0.00 C ATOM 518 CG LEU B 15 1.393 -2.713 -3.275 1.00 0.00 C ATOM 519 CD1 LEU B 15 0.065 -2.007 -3.552 1.00 0.00 C ATOM 520 CD2 LEU B 15 1.513 -3.006 -1.779 1.00 0.00 C ATOM 0 H LEU B 15 3.175 -2.727 -5.296 1.00 0.00 H new ATOM 0 HA LEU B 15 3.289 -4.639 -3.140 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.029 -3.886 -5.052 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.831 -4.779 -3.557 1.00 0.00 H new ATOM 0 HG LEU B 15 2.217 -2.071 -3.588 1.00 0.00 H new ATOM 0 HD11 LEU B 15 0.029 -1.070 -2.997 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.022 -1.801 -4.619 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.760 -2.647 -3.238 1.00 0.00 H new ATOM 0 HD21 LEU B 15 1.478 -2.070 -1.221 1.00 0.00 H new ATOM 0 HD22 LEU B 15 0.688 -3.646 -1.466 1.00 0.00 H new ATOM 0 HD23 LEU B 15 2.459 -3.510 -1.582 1.00 0.00 H new ATOM 532 N TYR B 16 3.143 -5.741 -6.202 1.00 0.00 N ATOM 533 CA TYR B 16 3.214 -6.961 -7.053 1.00 0.00 C ATOM 534 C TYR B 16 4.458 -7.764 -6.686 1.00 0.00 C ATOM 535 O TYR B 16 4.546 -8.949 -6.939 1.00 0.00 O ATOM 536 CB TYR B 16 3.328 -6.531 -8.517 1.00 0.00 C ATOM 537 CG TYR B 16 2.387 -7.344 -9.363 1.00 0.00 C ATOM 538 CD1 TYR B 16 2.307 -8.730 -9.188 1.00 0.00 C ATOM 539 CD2 TYR B 16 1.594 -6.708 -10.323 1.00 0.00 C ATOM 540 CE1 TYR B 16 1.427 -9.483 -9.977 1.00 0.00 C ATOM 541 CE2 TYR B 16 0.713 -7.459 -11.112 1.00 0.00 C ATOM 542 CZ TYR B 16 0.630 -8.847 -10.938 1.00 0.00 C ATOM 543 OH TYR B 16 -0.236 -9.588 -11.714 1.00 0.00 O ATOM 0 H TYR B 16 3.261 -4.863 -6.707 1.00 0.00 H new ATOM 0 HA TYR B 16 2.322 -7.569 -6.900 1.00 0.00 H new ATOM 0 HB2 TYR B 16 3.094 -5.471 -8.613 1.00 0.00 H new ATOM 0 HB3 TYR B 16 4.352 -6.664 -8.866 1.00 0.00 H new ATOM 0 HD1 TYR B 16 2.922 -9.218 -8.447 1.00 0.00 H new ATOM 0 HD2 TYR B 16 1.661 -5.638 -10.456 1.00 0.00 H new ATOM 0 HE1 TYR B 16 1.363 -10.553 -9.844 1.00 0.00 H new ATOM 0 HE2 TYR B 16 0.099 -6.969 -11.853 1.00 0.00 H new ATOM 0 HH TYR B 16 -0.714 -8.994 -12.329 1.00 0.00 H new ATOM 553 N LEU B 17 5.430 -7.113 -6.120 1.00 0.00 N ATOM 554 CA LEU B 17 6.688 -7.798 -5.762 1.00 0.00 C ATOM 555 C LEU B 17 6.721 -8.100 -4.258 1.00 0.00 C ATOM 556 O LEU B 17 7.580 -8.812 -3.779 1.00 0.00 O ATOM 557 CB LEU B 17 7.827 -6.869 -6.150 1.00 0.00 C ATOM 558 CG LEU B 17 9.168 -7.490 -5.798 1.00 0.00 C ATOM 559 CD1 LEU B 17 9.165 -9.002 -6.073 1.00 0.00 C ATOM 560 CD2 LEU B 17 10.234 -6.836 -6.663 1.00 0.00 C ATOM 0 H LEU B 17 5.401 -6.120 -5.888 1.00 0.00 H new ATOM 0 HA LEU B 17 6.776 -8.750 -6.285 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.786 -6.662 -7.219 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.716 -5.914 -5.636 1.00 0.00 H new ATOM 0 HG LEU B 17 9.367 -7.333 -4.738 1.00 0.00 H new ATOM 0 HD11 LEU B 17 10.137 -9.421 -5.812 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.391 -9.480 -5.472 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.965 -9.179 -7.130 1.00 0.00 H new ATOM 0 HD21 LEU B 17 11.208 -7.266 -6.428 1.00 0.00 H new ATOM 0 HD22 LEU B 17 10.005 -7.008 -7.715 1.00 0.00 H new ATOM 0 HD23 LEU B 17 10.254 -5.764 -6.467 1.00 0.00 H new ATOM 572 N VAL B 18 5.790 -7.580 -3.505 1.00 0.00 N ATOM 573 CA VAL B 18 5.785 -7.864 -2.041 1.00 0.00 C ATOM 574 C VAL B 18 4.734 -8.933 -1.744 1.00 0.00 C ATOM 575 O VAL B 18 4.960 -9.848 -0.977 1.00 0.00 O ATOM 576 CB VAL B 18 5.471 -6.579 -1.261 1.00 0.00 C ATOM 577 CG1 VAL B 18 6.085 -5.386 -1.983 1.00 0.00 C ATOM 578 CG2 VAL B 18 3.957 -6.368 -1.152 1.00 0.00 C ATOM 0 H VAL B 18 5.038 -6.976 -3.836 1.00 0.00 H new ATOM 0 HA VAL B 18 6.766 -8.226 -1.733 1.00 0.00 H new ATOM 0 HB VAL B 18 5.890 -6.671 -0.259 1.00 0.00 H new ATOM 0 HG11 VAL B 18 5.863 -4.473 -1.431 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.165 -5.517 -2.049 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.667 -5.314 -2.987 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.756 -5.452 -0.596 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.528 -6.287 -2.151 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.508 -7.214 -0.632 1.00 0.00 H new ATOM 588 N CYS B 19 3.587 -8.823 -2.352 1.00 0.00 N ATOM 589 CA CYS B 19 2.522 -9.828 -2.112 1.00 0.00 C ATOM 590 C CYS B 19 2.570 -10.885 -3.219 1.00 0.00 C ATOM 591 O CYS B 19 2.619 -12.070 -2.955 1.00 0.00 O ATOM 592 CB CYS B 19 1.159 -9.131 -2.102 1.00 0.00 C ATOM 593 SG CYS B 19 0.566 -9.015 -0.395 1.00 0.00 S ATOM 0 H CYS B 19 3.343 -8.079 -3.005 1.00 0.00 H new ATOM 0 HA CYS B 19 2.677 -10.313 -1.148 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.242 -8.136 -2.540 1.00 0.00 H new ATOM 0 HB3 CYS B 19 0.447 -9.689 -2.710 1.00 0.00 H new ATOM 598 N GLY B 20 2.570 -10.465 -4.456 1.00 0.00 N ATOM 599 CA GLY B 20 2.628 -11.443 -5.584 1.00 0.00 C ATOM 600 C GLY B 20 1.428 -12.388 -5.514 1.00 0.00 C ATOM 601 O GLY B 20 1.218 -13.051 -4.520 1.00 0.00 O ATOM 0 H GLY B 20 2.532 -9.485 -4.736 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.630 -10.913 -6.537 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.555 -12.014 -5.535 1.00 0.00 H new ATOM 605 N GLU B 21 0.647 -12.440 -6.571 1.00 0.00 N ATOM 606 CA GLU B 21 -0.564 -13.325 -6.614 1.00 0.00 C ATOM 607 C GLU B 21 -1.135 -13.520 -5.212 1.00 0.00 C ATOM 608 O GLU B 21 -1.599 -14.584 -4.852 1.00 0.00 O ATOM 609 CB GLU B 21 -0.209 -14.685 -7.229 1.00 0.00 C ATOM 610 CG GLU B 21 0.889 -15.370 -6.411 1.00 0.00 C ATOM 611 CD GLU B 21 0.450 -16.792 -6.054 1.00 0.00 C ATOM 612 OE1 GLU B 21 0.348 -17.604 -6.959 1.00 0.00 O ATOM 613 OE2 GLU B 21 0.223 -17.044 -4.883 1.00 0.00 O ATOM 0 H GLU B 21 0.802 -11.896 -7.420 1.00 0.00 H new ATOM 0 HA GLU B 21 -1.319 -12.843 -7.235 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -1.095 -15.319 -7.263 1.00 0.00 H new ATOM 0 HB3 GLU B 21 0.125 -14.550 -8.258 1.00 0.00 H new ATOM 0 HG2 GLU B 21 1.818 -15.397 -6.981 1.00 0.00 H new ATOM 0 HG3 GLU B 21 1.089 -14.801 -5.503 1.00 0.00 H new ATOM 620 N ARG B 22 -1.107 -12.486 -4.424 1.00 0.00 N ATOM 621 CA ARG B 22 -1.647 -12.572 -3.045 1.00 0.00 C ATOM 622 C ARG B 22 -2.829 -11.608 -2.926 1.00 0.00 C ATOM 623 O ARG B 22 -3.566 -11.624 -1.959 1.00 0.00 O ATOM 624 CB ARG B 22 -0.553 -12.177 -2.048 1.00 0.00 C ATOM 625 CG ARG B 22 0.271 -13.407 -1.663 1.00 0.00 C ATOM 626 CD ARG B 22 -0.661 -14.541 -1.243 1.00 0.00 C ATOM 627 NE ARG B 22 0.024 -15.406 -0.243 1.00 0.00 N ATOM 628 CZ ARG B 22 -0.221 -15.251 1.030 1.00 0.00 C ATOM 629 NH1 ARG B 22 -1.351 -15.668 1.532 1.00 0.00 N ATOM 630 NH2 ARG B 22 0.664 -14.677 1.800 1.00 0.00 N ATOM 0 H ARG B 22 -0.728 -11.574 -4.681 1.00 0.00 H new ATOM 0 HA ARG B 22 -1.975 -13.589 -2.829 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.094 -11.418 -2.487 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -1.002 -11.736 -1.158 1.00 0.00 H new ATOM 0 HG2 ARG B 22 0.886 -13.722 -2.506 1.00 0.00 H new ATOM 0 HG3 ARG B 22 0.950 -13.161 -0.847 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -1.578 -14.133 -0.818 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -0.948 -15.131 -2.114 1.00 0.00 H new ATOM 0 HE ARG B 22 0.684 -16.119 -0.552 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -2.042 -16.115 0.930 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -1.543 -15.547 2.526 1.00 0.00 H new ATOM 0 HH21 ARG B 22 1.546 -14.350 1.407 1.00 0.00 H new ATOM 0 HH22 ARG B 22 0.473 -14.556 2.795 1.00 0.00 H new ATOM 644 N GLY B 23 -3.019 -10.772 -3.914 1.00 0.00 N ATOM 645 CA GLY B 23 -4.156 -9.811 -3.874 1.00 0.00 C ATOM 646 C GLY B 23 -3.828 -8.638 -2.950 1.00 0.00 C ATOM 647 O GLY B 23 -3.891 -8.750 -1.741 1.00 0.00 O ATOM 0 H GLY B 23 -2.433 -10.715 -4.747 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -4.366 -9.444 -4.879 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -5.056 -10.317 -3.525 1.00 0.00 H new ATOM 651 N PHE B 24 -3.497 -7.504 -3.509 1.00 0.00 N ATOM 652 CA PHE B 24 -3.189 -6.320 -2.661 1.00 0.00 C ATOM 653 C PHE B 24 -4.152 -5.191 -3.028 1.00 0.00 C ATOM 654 O PHE B 24 -4.314 -4.852 -4.184 1.00 0.00 O ATOM 655 CB PHE B 24 -1.741 -5.868 -2.880 1.00 0.00 C ATOM 656 CG PHE B 24 -1.421 -5.829 -4.355 1.00 0.00 C ATOM 657 CD1 PHE B 24 -1.754 -4.702 -5.118 1.00 0.00 C ATOM 658 CD2 PHE B 24 -0.775 -6.917 -4.957 1.00 0.00 C ATOM 659 CE1 PHE B 24 -1.441 -4.663 -6.483 1.00 0.00 C ATOM 660 CE2 PHE B 24 -0.465 -6.879 -6.322 1.00 0.00 C ATOM 661 CZ PHE B 24 -0.796 -5.752 -7.086 1.00 0.00 C ATOM 0 H PHE B 24 -3.427 -7.349 -4.515 1.00 0.00 H new ATOM 0 HA PHE B 24 -3.308 -6.583 -1.610 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.591 -4.881 -2.442 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.059 -6.549 -2.371 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -2.252 -3.863 -4.654 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -0.516 -7.785 -4.368 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -1.697 -3.794 -7.071 1.00 0.00 H new ATOM 0 HE2 PHE B 24 0.030 -7.719 -6.786 1.00 0.00 H new ATOM 0 HZ PHE B 24 -0.555 -5.722 -8.138 1.00 0.00 H new ATOM 671 N PHE B 25 -4.809 -4.617 -2.058 1.00 0.00 N ATOM 672 CA PHE B 25 -5.776 -3.529 -2.370 1.00 0.00 C ATOM 673 C PHE B 25 -5.102 -2.162 -2.226 1.00 0.00 C ATOM 674 O PHE B 25 -4.406 -1.896 -1.266 1.00 0.00 O ATOM 675 CB PHE B 25 -6.969 -3.614 -1.413 1.00 0.00 C ATOM 676 CG PHE B 25 -6.496 -3.444 0.010 1.00 0.00 C ATOM 677 CD1 PHE B 25 -6.410 -2.160 0.565 1.00 0.00 C ATOM 678 CD2 PHE B 25 -6.149 -4.563 0.780 1.00 0.00 C ATOM 679 CE1 PHE B 25 -5.977 -1.993 1.885 1.00 0.00 C ATOM 680 CE2 PHE B 25 -5.715 -4.395 2.103 1.00 0.00 C ATOM 681 CZ PHE B 25 -5.630 -3.111 2.655 1.00 0.00 C ATOM 0 H PHE B 25 -4.719 -4.853 -1.070 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.120 -3.647 -3.397 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -7.699 -2.842 -1.658 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.471 -4.575 -1.527 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -6.678 -1.298 -0.027 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -6.216 -5.554 0.355 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -5.910 -1.003 2.310 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -5.446 -5.256 2.696 1.00 0.00 H new ATOM 0 HZ PHE B 25 -5.297 -2.982 3.674 1.00 0.00 H new ATOM 691 N TYR B 26 -5.314 -1.289 -3.175 1.00 0.00 N ATOM 692 CA TYR B 26 -4.702 0.068 -3.105 1.00 0.00 C ATOM 693 C TYR B 26 -5.782 1.112 -3.417 1.00 0.00 C ATOM 694 O TYR B 26 -5.560 2.041 -4.169 1.00 0.00 O ATOM 695 CB TYR B 26 -3.566 0.167 -4.134 1.00 0.00 C ATOM 696 CG TYR B 26 -4.148 0.403 -5.507 1.00 0.00 C ATOM 697 CD1 TYR B 26 -4.919 -0.591 -6.120 1.00 0.00 C ATOM 698 CD2 TYR B 26 -3.931 1.624 -6.159 1.00 0.00 C ATOM 699 CE1 TYR B 26 -5.472 -0.367 -7.386 1.00 0.00 C ATOM 700 CE2 TYR B 26 -4.484 1.849 -7.424 1.00 0.00 C ATOM 701 CZ TYR B 26 -5.256 0.854 -8.039 1.00 0.00 C ATOM 702 OH TYR B 26 -5.802 1.075 -9.287 1.00 0.00 O ATOM 0 H TYR B 26 -5.889 -1.460 -4.000 1.00 0.00 H new ATOM 0 HA TYR B 26 -4.296 0.247 -2.109 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -2.891 0.981 -3.869 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -2.977 -0.750 -4.130 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -5.087 -1.531 -5.616 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -3.337 2.391 -5.685 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -6.065 -1.135 -7.860 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -4.316 2.790 -7.927 1.00 0.00 H new ATOM 0 HH TYR B 26 -5.557 1.972 -9.597 1.00 0.00 H new ATOM 712 N THR B 27 -6.952 0.944 -2.857 1.00 0.00 N ATOM 713 CA THR B 27 -8.076 1.898 -3.121 1.00 0.00 C ATOM 714 C THR B 27 -7.547 3.320 -3.313 1.00 0.00 C ATOM 715 O THR B 27 -6.497 3.682 -2.819 1.00 0.00 O ATOM 716 CB THR B 27 -9.069 1.882 -1.953 1.00 0.00 C ATOM 717 OG1 THR B 27 -9.520 3.205 -1.695 1.00 0.00 O ATOM 718 CG2 THR B 27 -8.395 1.324 -0.701 1.00 0.00 C ATOM 0 H THR B 27 -7.181 0.180 -2.222 1.00 0.00 H new ATOM 0 HA THR B 27 -8.580 1.581 -4.034 1.00 0.00 H new ATOM 0 HB THR B 27 -9.917 1.249 -2.216 1.00 0.00 H new ATOM 0 HG1 THR B 27 -10.156 3.194 -0.949 1.00 0.00 H new ATOM 0 HG21 THR B 27 -9.108 1.317 0.123 1.00 0.00 H new ATOM 0 HG22 THR B 27 -8.053 0.307 -0.894 1.00 0.00 H new ATOM 0 HG23 THR B 27 -7.542 1.950 -0.437 1.00 0.00 H new ATOM 726 N LYS B 28 -8.276 4.128 -4.031 1.00 0.00 N ATOM 727 CA LYS B 28 -7.829 5.531 -4.267 1.00 0.00 C ATOM 728 C LYS B 28 -8.985 6.494 -3.975 1.00 0.00 C ATOM 729 O LYS B 28 -10.135 6.099 -3.978 1.00 0.00 O ATOM 730 CB LYS B 28 -7.393 5.686 -5.728 1.00 0.00 C ATOM 731 CG LYS B 28 -8.628 5.706 -6.631 1.00 0.00 C ATOM 732 CD LYS B 28 -8.377 4.834 -7.862 1.00 0.00 C ATOM 733 CE LYS B 28 -9.296 5.287 -8.998 1.00 0.00 C ATOM 734 NZ LYS B 28 -10.164 4.151 -9.417 1.00 0.00 N ATOM 0 H LYS B 28 -9.164 3.878 -4.466 1.00 0.00 H new ATOM 0 HA LYS B 28 -6.991 5.761 -3.609 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -6.824 6.607 -5.853 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.736 4.864 -6.011 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -9.497 5.340 -6.084 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -8.851 6.728 -6.936 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -7.334 4.911 -8.170 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -8.563 3.787 -7.624 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -9.910 6.126 -8.671 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -8.703 5.636 -9.843 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -10.789 4.458 -10.189 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -9.570 3.363 -9.745 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -10.740 3.838 -8.610 1.00 0.00 H new ATOM 748 N PRO B 29 -8.640 7.734 -3.734 1.00 0.00 N ATOM 749 CA PRO B 29 -9.623 8.791 -3.439 1.00 0.00 C ATOM 750 C PRO B 29 -10.263 9.299 -4.735 1.00 0.00 C ATOM 751 O PRO B 29 -9.587 9.538 -5.716 1.00 0.00 O ATOM 752 CB PRO B 29 -8.779 9.891 -2.787 1.00 0.00 C ATOM 753 CG PRO B 29 -7.321 9.659 -3.256 1.00 0.00 C ATOM 754 CD PRO B 29 -7.236 8.195 -3.729 1.00 0.00 C ATOM 0 HA PRO B 29 -10.442 8.451 -2.804 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -9.131 10.879 -3.085 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -8.850 9.842 -1.700 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -7.061 10.343 -4.064 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -6.619 9.845 -2.443 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -6.789 8.122 -4.721 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -6.622 7.595 -3.058 1.00 0.00 H new ATOM 762 N THR B 30 -11.561 9.466 -4.744 1.00 0.00 N ATOM 763 CA THR B 30 -12.247 9.959 -5.974 1.00 0.00 C ATOM 764 C THR B 30 -11.644 9.284 -7.207 1.00 0.00 C ATOM 765 O THR B 30 -11.076 8.216 -7.054 1.00 0.00 O ATOM 766 CB THR B 30 -12.071 11.477 -6.086 1.00 0.00 C ATOM 767 OG1 THR B 30 -12.854 11.963 -7.166 1.00 0.00 O ATOM 768 CG2 THR B 30 -10.599 11.810 -6.330 1.00 0.00 C ATOM 769 OXT THR B 30 -11.758 9.848 -8.283 1.00 0.00 O ATOM 0 H THR B 30 -12.175 9.282 -3.951 1.00 0.00 H new ATOM 0 HA THR B 30 -13.309 9.719 -5.914 1.00 0.00 H new ATOM 0 HB THR B 30 -12.396 11.948 -5.158 1.00 0.00 H new ATOM 0 HG1 THR B 30 -12.749 11.370 -7.939 1.00 0.00 H new ATOM 0 HG21 THR B 30 -10.479 12.890 -6.409 1.00 0.00 H new ATOM 0 HG22 THR B 30 -9.999 11.438 -5.499 1.00 0.00 H new ATOM 0 HG23 THR B 30 -10.268 11.339 -7.256 1.00 0.00 H new TER 777 THR B 30