USER MOD reduce.3.24.130724 H: found=0, std=0, add=345, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 347 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 12 SER OG : rot -69:sc= 1.22 USER MOD Set 1.2: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 15 GLN : amide:sc= -1.53! X(o=-0.82!,f=-0.34) USER MOD Set 1.4: B 3 ASN : amide:sc= -0.51 K(o=-0.82,f=-1.9) USER MOD Single : A 1 GLY N :NH3+ 140:sc= 0.145 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.818 K(o=0.82,f=-0.011) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.0701 USER MOD Single : A 21 ASN : amide:sc= 0.954 K(o=0.95,f=-0.014) USER MOD Single : B 1 PHE N :NH3+ -112:sc= 0.12 (180deg=0) USER MOD Single : B 4 GLN : amide:sc= 0.917 K(o=0.92,f=-0.0091) USER MOD Single : B 5 HIS : no HD1:sc= 0.24 K(o=0.24,f=-3.2!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0014 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot -41:sc= 0.945 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.779 25.774 -11.524 1.00 0.00 N ATOM 2 CA GLY A 1 -20.058 26.197 -10.928 1.00 0.00 C ATOM 3 C GLY A 1 -21.195 25.451 -11.587 1.00 0.00 C ATOM 4 O GLY A 1 -21.032 25.054 -12.735 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.160 26.601 -11.640 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.318 25.081 -10.901 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.955 25.341 -12.453 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.054 26.001 -9.856 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.192 27.271 -11.055 1.00 0.00 H new ATOM 10 N ILE A 2 -22.309 25.232 -10.888 1.00 0.00 N ATOM 11 CA ILE A 2 -23.342 24.247 -11.277 1.00 0.00 C ATOM 12 C ILE A 2 -24.735 24.883 -11.450 1.00 0.00 C ATOM 13 O ILE A 2 -25.696 24.554 -10.762 1.00 0.00 O ATOM 14 CB ILE A 2 -23.257 22.998 -10.357 1.00 0.00 C ATOM 15 CG1 ILE A 2 -24.139 21.808 -10.805 1.00 0.00 C ATOM 16 CG2 ILE A 2 -23.558 23.308 -8.878 1.00 0.00 C ATOM 17 CD1 ILE A 2 -23.840 21.311 -12.225 1.00 0.00 C ATOM 0 H ILE A 2 -22.530 25.733 -10.027 1.00 0.00 H new ATOM 0 HA ILE A 2 -23.138 23.876 -12.281 1.00 0.00 H new ATOM 0 HB ILE A 2 -22.214 22.698 -10.456 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -24.001 20.983 -10.106 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -25.187 22.103 -10.747 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -23.481 22.392 -8.291 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -22.840 24.039 -8.506 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -24.566 23.713 -8.789 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -24.499 20.476 -12.465 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -24.006 22.120 -12.936 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -22.802 20.983 -12.285 1.00 0.00 H new ATOM 29 N VAL A 3 -24.834 25.843 -12.378 1.00 0.00 N ATOM 30 CA VAL A 3 -26.099 26.529 -12.716 1.00 0.00 C ATOM 31 C VAL A 3 -27.045 25.670 -13.563 1.00 0.00 C ATOM 32 O VAL A 3 -28.235 25.620 -13.276 1.00 0.00 O ATOM 33 CB VAL A 3 -25.830 27.916 -13.340 1.00 0.00 C ATOM 34 CG1 VAL A 3 -25.078 27.874 -14.680 1.00 0.00 C ATOM 35 CG2 VAL A 3 -27.123 28.714 -13.538 1.00 0.00 C ATOM 0 H VAL A 3 -24.036 26.172 -12.922 1.00 0.00 H new ATOM 0 HA VAL A 3 -26.631 26.692 -11.779 1.00 0.00 H new ATOM 0 HB VAL A 3 -25.185 28.409 -12.612 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -24.931 28.890 -15.047 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -24.109 27.396 -14.538 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -25.660 27.306 -15.406 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -26.889 29.683 -13.979 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -27.791 28.165 -14.202 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -27.610 28.862 -12.574 1.00 0.00 H new ATOM 45 N GLU A 4 -26.522 24.967 -14.576 1.00 0.00 N ATOM 46 CA GLU A 4 -27.342 24.267 -15.577 1.00 0.00 C ATOM 47 C GLU A 4 -27.254 22.733 -15.484 1.00 0.00 C ATOM 48 O GLU A 4 -28.280 22.067 -15.412 1.00 0.00 O ATOM 49 CB GLU A 4 -26.957 24.801 -16.969 1.00 0.00 C ATOM 50 CG GLU A 4 -27.780 24.214 -18.131 1.00 0.00 C ATOM 51 CD GLU A 4 -29.220 24.714 -18.181 1.00 0.00 C ATOM 52 OE1 GLU A 4 -29.717 25.534 -17.423 1.00 0.00 O ATOM 53 OE2 GLU A 4 -29.944 24.212 -19.199 1.00 0.00 O ATOM 0 H GLU A 4 -25.518 24.867 -14.726 1.00 0.00 H new ATOM 0 HA GLU A 4 -28.393 24.478 -15.379 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -27.071 25.885 -16.972 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -25.902 24.590 -17.145 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -27.288 24.459 -19.072 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -27.785 23.127 -18.047 1.00 0.00 H new ATOM 61 N GLN A 5 -26.047 22.153 -15.453 1.00 0.00 N ATOM 62 CA GLN A 5 -25.818 20.714 -15.703 1.00 0.00 C ATOM 63 C GLN A 5 -26.322 19.720 -14.621 1.00 0.00 C ATOM 64 O GLN A 5 -25.988 18.544 -14.693 1.00 0.00 O ATOM 65 CB GLN A 5 -24.333 20.461 -16.055 1.00 0.00 C ATOM 66 CG GLN A 5 -23.718 21.387 -17.122 1.00 0.00 C ATOM 67 CD GLN A 5 -24.575 21.548 -18.374 1.00 0.00 C ATOM 68 OE1 GLN A 5 -25.146 22.596 -18.608 1.00 0.00 O ATOM 69 NE2 GLN A 5 -24.718 20.540 -19.203 1.00 0.00 N ATOM 0 H GLN A 5 -25.191 22.670 -15.252 1.00 0.00 H new ATOM 0 HA GLN A 5 -26.459 20.487 -16.555 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -23.744 20.552 -15.142 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -24.233 19.431 -16.397 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -23.549 22.370 -16.681 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -22.743 20.995 -17.410 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -24.244 19.656 -19.018 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -25.303 20.641 -20.033 1.00 0.00 H new ATOM 78 N CYS A 6 -27.125 20.157 -13.642 1.00 0.00 N ATOM 79 CA CYS A 6 -27.927 19.275 -12.772 1.00 0.00 C ATOM 80 C CYS A 6 -29.407 19.241 -13.199 1.00 0.00 C ATOM 81 O CYS A 6 -30.037 18.181 -13.186 1.00 0.00 O ATOM 82 CB CYS A 6 -27.824 19.736 -11.307 1.00 0.00 C ATOM 83 SG CYS A 6 -26.744 18.746 -10.239 1.00 0.00 S ATOM 0 H CYS A 6 -27.240 21.147 -13.426 1.00 0.00 H new ATOM 0 HA CYS A 6 -27.524 18.267 -12.870 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -27.469 20.766 -11.295 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -28.825 19.739 -10.876 1.00 0.00 H new ATOM 88 N CYS A 7 -29.948 20.394 -13.607 1.00 0.00 N ATOM 89 CA CYS A 7 -31.324 20.581 -14.064 1.00 0.00 C ATOM 90 C CYS A 7 -31.486 20.119 -15.528 1.00 0.00 C ATOM 91 O CYS A 7 -31.911 20.869 -16.404 1.00 0.00 O ATOM 92 CB CYS A 7 -31.702 22.049 -13.817 1.00 0.00 C ATOM 93 SG CYS A 7 -33.448 22.452 -14.071 1.00 0.00 S ATOM 0 H CYS A 7 -29.411 21.261 -13.627 1.00 0.00 H new ATOM 0 HA CYS A 7 -32.020 19.957 -13.504 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -31.431 22.309 -12.794 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -31.102 22.677 -14.475 1.00 0.00 H new ATOM 98 N ALA A 8 -31.060 18.883 -15.803 1.00 0.00 N ATOM 99 CA ALA A 8 -30.939 18.323 -17.148 1.00 0.00 C ATOM 100 C ALA A 8 -31.265 16.823 -17.167 1.00 0.00 C ATOM 101 O ALA A 8 -32.191 16.423 -17.866 1.00 0.00 O ATOM 102 CB ALA A 8 -29.527 18.621 -17.673 1.00 0.00 C ATOM 0 H ALA A 8 -30.782 18.227 -15.073 1.00 0.00 H new ATOM 0 HA ALA A 8 -31.669 18.790 -17.809 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -29.418 18.210 -18.677 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -29.370 19.699 -17.703 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -28.789 18.165 -17.012 1.00 0.00 H new ATOM 108 N SER A 9 -30.572 16.029 -16.340 1.00 0.00 N ATOM 109 CA SER A 9 -30.819 14.594 -16.132 1.00 0.00 C ATOM 110 C SER A 9 -30.345 14.173 -14.739 1.00 0.00 C ATOM 111 O SER A 9 -29.146 13.996 -14.546 1.00 0.00 O ATOM 112 CB SER A 9 -30.072 13.738 -17.172 1.00 0.00 C ATOM 113 OG SER A 9 -30.567 13.938 -18.479 1.00 0.00 O ATOM 0 H SER A 9 -29.797 16.379 -15.777 1.00 0.00 H new ATOM 0 HA SER A 9 -31.892 14.433 -16.236 1.00 0.00 H new ATOM 0 HB2 SER A 9 -29.010 13.982 -17.146 1.00 0.00 H new ATOM 0 HB3 SER A 9 -30.164 12.685 -16.907 1.00 0.00 H new ATOM 0 HG SER A 9 -30.065 13.378 -19.108 1.00 0.00 H new ATOM 119 N VAL A 10 -31.273 14.018 -13.783 1.00 0.00 N ATOM 120 CA VAL A 10 -31.112 13.286 -12.499 1.00 0.00 C ATOM 121 C VAL A 10 -29.676 13.223 -11.933 1.00 0.00 C ATOM 122 O VAL A 10 -29.063 12.157 -11.893 1.00 0.00 O ATOM 123 CB VAL A 10 -31.761 11.881 -12.564 1.00 0.00 C ATOM 124 CG1 VAL A 10 -33.290 11.990 -12.525 1.00 0.00 C ATOM 125 CG2 VAL A 10 -31.366 11.047 -13.792 1.00 0.00 C ATOM 0 H VAL A 10 -32.207 14.417 -13.881 1.00 0.00 H new ATOM 0 HA VAL A 10 -31.652 13.897 -11.776 1.00 0.00 H new ATOM 0 HB VAL A 10 -31.377 11.360 -11.687 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -33.727 10.993 -12.572 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -33.597 12.478 -11.600 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -33.635 12.577 -13.376 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -31.868 10.080 -13.752 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -31.663 11.573 -14.700 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -30.287 10.895 -13.797 1.00 0.00 H new ATOM 135 N CYS A 11 -29.123 14.353 -11.477 1.00 0.00 N ATOM 136 CA CYS A 11 -27.724 14.432 -11.047 1.00 0.00 C ATOM 137 C CYS A 11 -27.436 13.729 -9.700 1.00 0.00 C ATOM 138 O CYS A 11 -28.303 13.561 -8.833 1.00 0.00 O ATOM 139 CB CYS A 11 -27.226 15.883 -11.117 1.00 0.00 C ATOM 140 SG CYS A 11 -27.820 17.046 -9.861 1.00 0.00 S ATOM 0 H CYS A 11 -29.631 15.234 -11.396 1.00 0.00 H new ATOM 0 HA CYS A 11 -27.133 13.851 -11.755 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -26.137 15.865 -11.068 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -27.495 16.282 -12.095 1.00 0.00 H new ATOM 145 N SER A 12 -26.204 13.232 -9.562 1.00 0.00 N ATOM 146 CA SER A 12 -25.799 12.255 -8.539 1.00 0.00 C ATOM 147 C SER A 12 -25.408 12.870 -7.195 1.00 0.00 C ATOM 148 O SER A 12 -24.905 13.987 -7.134 1.00 0.00 O ATOM 149 CB SER A 12 -24.623 11.404 -9.034 1.00 0.00 C ATOM 150 OG SER A 12 -24.783 11.023 -10.384 1.00 0.00 O ATOM 0 H SER A 12 -25.436 13.504 -10.175 1.00 0.00 H new ATOM 0 HA SER A 12 -26.688 11.647 -8.374 1.00 0.00 H new ATOM 0 HB2 SER A 12 -23.696 11.966 -8.922 1.00 0.00 H new ATOM 0 HB3 SER A 12 -24.533 10.513 -8.413 1.00 0.00 H new ATOM 0 HG SER A 12 -25.518 10.379 -10.457 1.00 0.00 H new ATOM 156 N LEU A 13 -25.533 12.079 -6.121 1.00 0.00 N ATOM 157 CA LEU A 13 -25.273 12.496 -4.735 1.00 0.00 C ATOM 158 C LEU A 13 -23.915 13.198 -4.557 1.00 0.00 C ATOM 159 O LEU A 13 -23.856 14.269 -3.963 1.00 0.00 O ATOM 160 CB LEU A 13 -25.369 11.289 -3.774 1.00 0.00 C ATOM 161 CG LEU A 13 -26.625 10.402 -3.915 1.00 0.00 C ATOM 162 CD1 LEU A 13 -26.342 9.163 -4.775 1.00 0.00 C ATOM 163 CD2 LEU A 13 -27.098 9.892 -2.552 1.00 0.00 C ATOM 0 H LEU A 13 -25.826 11.105 -6.193 1.00 0.00 H new ATOM 0 HA LEU A 13 -26.045 13.225 -4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -24.489 10.663 -3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -25.326 11.662 -2.751 1.00 0.00 H new ATOM 0 HG LEU A 13 -27.386 11.028 -4.381 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -27.247 8.560 -4.854 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -26.026 9.475 -5.770 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -25.552 8.572 -4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -27.984 9.270 -2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -26.306 9.302 -2.089 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -27.341 10.739 -1.911 1.00 0.00 H new ATOM 175 N TYR A 14 -22.841 12.634 -5.116 1.00 0.00 N ATOM 176 CA TYR A 14 -21.486 13.196 -5.039 1.00 0.00 C ATOM 177 C TYR A 14 -21.320 14.525 -5.797 1.00 0.00 C ATOM 178 O TYR A 14 -20.525 15.364 -5.383 1.00 0.00 O ATOM 179 CB TYR A 14 -20.456 12.148 -5.496 1.00 0.00 C ATOM 180 CG TYR A 14 -20.937 11.163 -6.548 1.00 0.00 C ATOM 181 CD1 TYR A 14 -21.415 9.898 -6.148 1.00 0.00 C ATOM 182 CD2 TYR A 14 -20.915 11.508 -7.913 1.00 0.00 C ATOM 183 CE1 TYR A 14 -21.860 8.971 -7.110 1.00 0.00 C ATOM 184 CE2 TYR A 14 -21.360 10.581 -8.877 1.00 0.00 C ATOM 185 CZ TYR A 14 -21.829 9.312 -8.479 1.00 0.00 C ATOM 186 OH TYR A 14 -22.261 8.430 -9.415 1.00 0.00 O ATOM 0 H TYR A 14 -22.887 11.762 -5.643 1.00 0.00 H new ATOM 0 HA TYR A 14 -21.306 13.444 -3.993 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -19.583 12.671 -5.887 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -20.126 11.585 -4.623 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -21.440 9.639 -5.100 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -20.558 12.480 -8.220 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -22.224 8.002 -6.801 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -21.342 10.844 -9.924 1.00 0.00 H new ATOM 0 HH TYR A 14 -22.171 8.828 -10.306 1.00 0.00 H new ATOM 196 N GLN A 15 -22.095 14.769 -6.862 1.00 0.00 N ATOM 197 CA GLN A 15 -22.079 16.049 -7.586 1.00 0.00 C ATOM 198 C GLN A 15 -22.635 17.188 -6.716 1.00 0.00 C ATOM 199 O GLN A 15 -22.138 18.311 -6.756 1.00 0.00 O ATOM 200 CB GLN A 15 -22.903 15.955 -8.882 1.00 0.00 C ATOM 201 CG GLN A 15 -22.551 14.764 -9.793 1.00 0.00 C ATOM 202 CD GLN A 15 -23.412 14.753 -11.055 1.00 0.00 C ATOM 203 OE1 GLN A 15 -23.738 15.780 -11.616 1.00 0.00 O ATOM 204 NE2 GLN A 15 -23.845 13.615 -11.558 1.00 0.00 N ATOM 0 H GLN A 15 -22.749 14.087 -7.246 1.00 0.00 H new ATOM 0 HA GLN A 15 -21.040 16.267 -7.833 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -23.959 15.892 -8.619 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -22.769 16.877 -9.447 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -21.498 14.815 -10.070 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -22.692 13.832 -9.246 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -23.592 12.732 -11.114 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -24.433 13.617 -12.391 1.00 0.00 H new ATOM 213 N LEU A 16 -23.647 16.875 -5.898 1.00 0.00 N ATOM 214 CA LEU A 16 -24.241 17.781 -4.911 1.00 0.00 C ATOM 215 C LEU A 16 -23.323 17.940 -3.689 1.00 0.00 C ATOM 216 O LEU A 16 -23.064 19.053 -3.239 1.00 0.00 O ATOM 217 CB LEU A 16 -25.625 17.236 -4.501 1.00 0.00 C ATOM 218 CG LEU A 16 -26.596 16.984 -5.674 1.00 0.00 C ATOM 219 CD1 LEU A 16 -27.767 16.119 -5.211 1.00 0.00 C ATOM 220 CD2 LEU A 16 -27.128 18.296 -6.247 1.00 0.00 C ATOM 0 H LEU A 16 -24.088 15.955 -5.906 1.00 0.00 H new ATOM 0 HA LEU A 16 -24.361 18.770 -5.353 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -25.485 16.302 -3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -26.087 17.941 -3.810 1.00 0.00 H new ATOM 0 HG LEU A 16 -26.043 16.465 -6.457 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -28.446 15.948 -6.047 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -27.391 15.163 -4.847 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -28.301 16.628 -4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -27.809 18.083 -7.071 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -27.660 18.844 -5.469 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -26.295 18.898 -6.610 1.00 0.00 H new ATOM 232 N GLU A 17 -22.769 16.831 -3.190 1.00 0.00 N ATOM 233 CA GLU A 17 -21.875 16.808 -2.026 1.00 0.00 C ATOM 234 C GLU A 17 -20.539 17.538 -2.253 1.00 0.00 C ATOM 235 O GLU A 17 -19.944 18.009 -1.288 1.00 0.00 O ATOM 236 CB GLU A 17 -21.671 15.365 -1.542 1.00 0.00 C ATOM 237 CG GLU A 17 -22.963 14.767 -0.945 1.00 0.00 C ATOM 238 CD GLU A 17 -23.066 13.246 -1.064 1.00 0.00 C ATOM 239 OE1 GLU A 17 -22.295 12.497 -1.652 1.00 0.00 O ATOM 240 OE2 GLU A 17 -24.141 12.705 -0.458 1.00 0.00 O ATOM 0 H GLU A 17 -22.932 15.907 -3.590 1.00 0.00 H new ATOM 0 HA GLU A 17 -22.369 17.375 -1.237 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -21.337 14.747 -2.375 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -20.881 15.343 -0.792 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -23.024 15.042 0.108 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -23.822 15.218 -1.443 1.00 0.00 H new ATOM 248 N ASN A 18 -20.133 17.771 -3.507 1.00 0.00 N ATOM 249 CA ASN A 18 -19.060 18.709 -3.867 1.00 0.00 C ATOM 250 C ASN A 18 -19.297 20.140 -3.317 1.00 0.00 C ATOM 251 O ASN A 18 -18.337 20.889 -3.147 1.00 0.00 O ATOM 252 CB ASN A 18 -18.942 18.692 -5.407 1.00 0.00 C ATOM 253 CG ASN A 18 -17.606 19.154 -5.976 1.00 0.00 C ATOM 254 OD1 ASN A 18 -17.137 18.642 -6.976 1.00 0.00 O ATOM 255 ND2 ASN A 18 -16.918 20.102 -5.388 1.00 0.00 N ATOM 0 H ASN A 18 -20.547 17.306 -4.315 1.00 0.00 H new ATOM 0 HA ASN A 18 -18.125 18.392 -3.406 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -19.132 17.677 -5.756 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -19.729 19.323 -5.820 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -16.017 20.391 -5.770 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -17.283 20.551 -4.548 1.00 0.00 H new ATOM 262 N TYR A 19 -20.546 20.518 -3.024 1.00 0.00 N ATOM 263 CA TYR A 19 -20.912 21.791 -2.388 1.00 0.00 C ATOM 264 C TYR A 19 -21.349 21.654 -0.914 1.00 0.00 C ATOM 265 O TYR A 19 -21.613 22.673 -0.272 1.00 0.00 O ATOM 266 CB TYR A 19 -21.956 22.493 -3.271 1.00 0.00 C ATOM 267 CG TYR A 19 -21.354 23.054 -4.551 1.00 0.00 C ATOM 268 CD1 TYR A 19 -20.639 24.266 -4.498 1.00 0.00 C ATOM 269 CD2 TYR A 19 -21.431 22.344 -5.767 1.00 0.00 C ATOM 270 CE1 TYR A 19 -19.993 24.767 -5.643 1.00 0.00 C ATOM 271 CE2 TYR A 19 -20.794 22.846 -6.922 1.00 0.00 C ATOM 272 CZ TYR A 19 -20.076 24.059 -6.863 1.00 0.00 C ATOM 273 OH TYR A 19 -19.412 24.533 -7.957 1.00 0.00 O ATOM 0 H TYR A 19 -21.354 19.931 -3.228 1.00 0.00 H new ATOM 0 HA TYR A 19 -20.020 22.414 -2.323 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -22.747 21.787 -3.524 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -22.420 23.302 -2.706 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -20.586 24.816 -3.570 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -21.979 21.414 -5.815 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -19.435 25.690 -5.590 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -20.856 22.301 -7.852 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.567 23.935 -8.718 1.00 0.00 H new ATOM 283 N CYS A 20 -21.394 20.425 -0.378 1.00 0.00 N ATOM 284 CA CYS A 20 -21.591 20.138 1.049 1.00 0.00 C ATOM 285 C CYS A 20 -20.278 19.978 1.834 1.00 0.00 C ATOM 286 O CYS A 20 -20.249 20.332 3.009 1.00 0.00 O ATOM 287 CB CYS A 20 -22.348 18.810 1.223 1.00 0.00 C ATOM 288 SG CYS A 20 -23.983 18.621 0.473 1.00 0.00 S ATOM 0 H CYS A 20 -21.291 19.581 -0.942 1.00 0.00 H new ATOM 0 HA CYS A 20 -22.142 20.995 1.436 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -21.713 18.016 0.829 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -22.455 18.631 2.293 1.00 0.00 H new ATOM 293 N ASN A 21 -19.270 19.352 1.202 1.00 0.00 N ATOM 294 CA ASN A 21 -18.087 18.717 1.813 1.00 0.00 C ATOM 295 C ASN A 21 -18.420 17.899 3.073 1.00 0.00 C ATOM 296 O ASN A 21 -19.036 16.827 2.914 1.00 0.00 O ATOM 297 CB ASN A 21 -16.892 19.704 1.912 1.00 0.00 C ATOM 298 CG ASN A 21 -17.159 21.030 2.607 1.00 0.00 C ATOM 299 OD1 ASN A 21 -17.031 22.100 2.030 1.00 0.00 O ATOM 300 ND2 ASN A 21 -17.498 20.998 3.867 1.00 0.00 N ATOM 301 OXT ASN A 21 -18.067 18.309 4.204 1.00 0.00 O ATOM 0 H ASN A 21 -19.258 19.270 0.185 1.00 0.00 H new ATOM 0 HA ASN A 21 -17.727 17.943 1.135 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -16.079 19.202 2.436 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -16.539 19.914 0.902 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -17.657 21.868 4.375 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -17.604 20.103 4.344 1.00 0.00 H new ATOM 309 N PHE B 1 -31.608 3.468 -3.513 1.00 0.00 N ATOM 310 CA PHE B 1 -31.423 4.932 -3.653 1.00 0.00 C ATOM 311 C PHE B 1 -31.515 5.310 -5.130 1.00 0.00 C ATOM 312 O PHE B 1 -31.617 4.410 -5.953 1.00 0.00 O ATOM 313 CB PHE B 1 -30.097 5.403 -3.025 1.00 0.00 C ATOM 314 CG PHE B 1 -30.272 6.396 -1.890 1.00 0.00 C ATOM 315 CD1 PHE B 1 -29.536 6.231 -0.699 1.00 0.00 C ATOM 316 CD2 PHE B 1 -31.147 7.498 -2.016 1.00 0.00 C ATOM 317 CE1 PHE B 1 -29.683 7.149 0.357 1.00 0.00 C ATOM 318 CE2 PHE B 1 -31.292 8.412 -0.959 1.00 0.00 C ATOM 319 CZ PHE B 1 -30.562 8.237 0.228 1.00 0.00 C ATOM 0 H1 PHE B 1 -32.509 3.277 -3.029 1.00 0.00 H new ATOM 0 H2 PHE B 1 -31.621 3.028 -4.455 1.00 0.00 H new ATOM 0 H3 PHE B 1 -30.825 3.071 -2.956 1.00 0.00 H new ATOM 0 HA PHE B 1 -32.216 5.442 -3.107 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -29.553 4.534 -2.654 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -29.480 5.858 -3.800 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -28.857 5.397 -0.597 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -31.707 7.638 -2.929 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -29.119 7.017 1.268 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -31.966 9.250 -1.059 1.00 0.00 H new ATOM 0 HZ PHE B 1 -30.676 8.939 1.041 1.00 0.00 H new ATOM 331 N VAL B 2 -31.497 6.603 -5.462 1.00 0.00 N ATOM 332 CA VAL B 2 -31.625 7.143 -6.831 1.00 0.00 C ATOM 333 C VAL B 2 -30.721 8.375 -6.987 1.00 0.00 C ATOM 334 O VAL B 2 -29.989 8.731 -6.063 1.00 0.00 O ATOM 335 CB VAL B 2 -33.099 7.482 -7.172 1.00 0.00 C ATOM 336 CG1 VAL B 2 -33.981 6.231 -7.236 1.00 0.00 C ATOM 337 CG2 VAL B 2 -33.725 8.484 -6.193 1.00 0.00 C ATOM 0 H VAL B 2 -31.389 7.337 -4.762 1.00 0.00 H new ATOM 0 HA VAL B 2 -31.303 6.378 -7.538 1.00 0.00 H new ATOM 0 HB VAL B 2 -33.059 7.944 -8.158 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -35.004 6.519 -7.478 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -33.602 5.558 -8.005 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -33.965 5.725 -6.271 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -34.757 8.681 -6.484 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -33.705 8.069 -5.185 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -33.158 9.415 -6.213 1.00 0.00 H new ATOM 347 N ASN B 3 -30.734 9.027 -8.148 1.00 0.00 N ATOM 348 CA ASN B 3 -30.160 10.361 -8.377 1.00 0.00 C ATOM 349 C ASN B 3 -31.312 11.339 -8.719 1.00 0.00 C ATOM 350 O ASN B 3 -32.434 10.875 -8.940 1.00 0.00 O ATOM 351 CB ASN B 3 -29.059 10.243 -9.447 1.00 0.00 C ATOM 352 CG ASN B 3 -27.826 9.418 -9.086 1.00 0.00 C ATOM 353 OD1 ASN B 3 -26.872 9.336 -9.836 1.00 0.00 O ATOM 354 ND2 ASN B 3 -27.713 8.835 -7.915 1.00 0.00 N ATOM 0 H ASN B 3 -31.158 8.631 -8.987 1.00 0.00 H new ATOM 0 HA ASN B 3 -29.672 10.772 -7.493 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -29.504 9.812 -10.344 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -28.729 11.249 -9.706 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -26.854 8.343 -7.671 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -28.485 8.874 -7.249 1.00 0.00 H new ATOM 361 N GLN B 4 -31.123 12.666 -8.658 1.00 0.00 N ATOM 362 CA GLN B 4 -32.249 13.620 -8.546 1.00 0.00 C ATOM 363 C GLN B 4 -32.142 14.849 -9.460 1.00 0.00 C ATOM 364 O GLN B 4 -31.082 15.435 -9.646 1.00 0.00 O ATOM 365 CB GLN B 4 -32.460 14.032 -7.078 1.00 0.00 C ATOM 366 CG GLN B 4 -32.970 12.898 -6.167 1.00 0.00 C ATOM 367 CD GLN B 4 -34.420 12.496 -6.452 1.00 0.00 C ATOM 368 OE1 GLN B 4 -35.343 12.964 -5.817 1.00 0.00 O ATOM 369 NE2 GLN B 4 -34.699 11.636 -7.409 1.00 0.00 N ATOM 0 H GLN B 4 -30.204 13.107 -8.684 1.00 0.00 H new ATOM 0 HA GLN B 4 -33.128 13.083 -8.904 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -31.517 14.406 -6.679 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -33.171 14.857 -7.043 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -32.328 12.026 -6.290 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -32.885 13.212 -5.127 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -33.946 11.225 -7.961 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -35.668 11.381 -7.599 1.00 0.00 H new ATOM 378 N HIS B 5 -33.271 15.220 -10.070 1.00 0.00 N ATOM 379 CA HIS B 5 -33.369 16.178 -11.183 1.00 0.00 C ATOM 380 C HIS B 5 -33.438 17.642 -10.704 1.00 0.00 C ATOM 381 O HIS B 5 -34.397 18.361 -10.972 1.00 0.00 O ATOM 382 CB HIS B 5 -34.567 15.757 -12.051 1.00 0.00 C ATOM 383 CG HIS B 5 -34.411 16.101 -13.504 1.00 0.00 C ATOM 384 ND1 HIS B 5 -34.080 15.178 -14.496 1.00 0.00 N ATOM 385 CD2 HIS B 5 -34.591 17.328 -14.070 1.00 0.00 C ATOM 386 CE1 HIS B 5 -34.133 15.859 -15.650 1.00 0.00 C ATOM 387 NE2 HIS B 5 -34.404 17.155 -15.424 1.00 0.00 N ATOM 0 H HIS B 5 -34.180 14.848 -9.794 1.00 0.00 H new ATOM 0 HA HIS B 5 -32.461 16.148 -11.786 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -34.713 14.681 -11.955 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -35.468 16.236 -11.668 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -34.832 18.249 -13.560 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -33.979 15.425 -16.627 1.00 0.00 H new ATOM 0 HE2 HIS B 5 -34.461 17.886 -16.133 1.00 0.00 H new ATOM 395 N LEU B 6 -32.475 18.049 -9.878 1.00 0.00 N ATOM 396 CA LEU B 6 -32.587 19.250 -9.048 1.00 0.00 C ATOM 397 C LEU B 6 -32.359 20.564 -9.811 1.00 0.00 C ATOM 398 O LEU B 6 -31.380 20.724 -10.540 1.00 0.00 O ATOM 399 CB LEU B 6 -31.639 19.117 -7.848 1.00 0.00 C ATOM 400 CG LEU B 6 -32.032 17.982 -6.886 1.00 0.00 C ATOM 401 CD1 LEU B 6 -30.895 17.746 -5.903 1.00 0.00 C ATOM 402 CD2 LEU B 6 -33.312 18.305 -6.111 1.00 0.00 C ATOM 0 H LEU B 6 -31.591 17.553 -9.764 1.00 0.00 H new ATOM 0 HA LEU B 6 -33.619 19.313 -8.703 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -30.626 18.942 -8.211 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -31.623 20.059 -7.300 1.00 0.00 H new ATOM 0 HG LEU B 6 -32.220 17.088 -7.480 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -31.167 16.943 -5.218 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -29.994 17.468 -6.449 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -30.709 18.658 -5.336 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -33.552 17.477 -5.444 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -33.163 19.212 -5.525 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -34.133 18.457 -6.812 1.00 0.00 H new ATOM 414 N CYS B 7 -33.236 21.539 -9.555 1.00 0.00 N ATOM 415 CA CYS B 7 -33.274 22.841 -10.219 1.00 0.00 C ATOM 416 C CYS B 7 -33.483 23.975 -9.197 1.00 0.00 C ATOM 417 O CYS B 7 -34.411 23.908 -8.391 1.00 0.00 O ATOM 418 CB CYS B 7 -34.438 22.833 -11.223 1.00 0.00 C ATOM 419 SG CYS B 7 -34.401 21.558 -12.512 1.00 0.00 S ATOM 0 H CYS B 7 -33.967 21.437 -8.851 1.00 0.00 H new ATOM 0 HA CYS B 7 -32.326 23.016 -10.727 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -35.367 22.723 -10.664 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -34.472 23.807 -11.710 1.00 0.00 H new ATOM 424 N GLY B 8 -32.680 25.044 -9.264 1.00 0.00 N ATOM 425 CA GLY B 8 -32.943 26.331 -8.597 1.00 0.00 C ATOM 426 C GLY B 8 -33.346 26.244 -7.114 1.00 0.00 C ATOM 427 O GLY B 8 -32.560 25.826 -6.265 1.00 0.00 O ATOM 0 H GLY B 8 -31.809 25.041 -9.795 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -32.049 26.950 -8.676 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -33.736 26.846 -9.140 1.00 0.00 H new ATOM 431 N SER B 9 -34.583 26.649 -6.801 1.00 0.00 N ATOM 432 CA SER B 9 -35.156 26.626 -5.442 1.00 0.00 C ATOM 433 C SER B 9 -35.186 25.224 -4.818 1.00 0.00 C ATOM 434 O SER B 9 -34.858 25.065 -3.641 1.00 0.00 O ATOM 435 CB SER B 9 -36.578 27.197 -5.483 1.00 0.00 C ATOM 436 OG SER B 9 -37.348 26.558 -6.490 1.00 0.00 O ATOM 0 H SER B 9 -35.232 27.011 -7.500 1.00 0.00 H new ATOM 0 HA SER B 9 -34.507 27.236 -4.813 1.00 0.00 H new ATOM 0 HB2 SER B 9 -37.057 27.063 -4.513 1.00 0.00 H new ATOM 0 HB3 SER B 9 -36.539 28.269 -5.674 1.00 0.00 H new ATOM 0 HG SER B 9 -38.252 26.935 -6.499 1.00 0.00 H new ATOM 442 N HIS B 10 -35.502 24.193 -5.610 1.00 0.00 N ATOM 443 CA HIS B 10 -35.414 22.791 -5.182 1.00 0.00 C ATOM 444 C HIS B 10 -33.969 22.345 -4.947 1.00 0.00 C ATOM 445 O HIS B 10 -33.723 21.564 -4.035 1.00 0.00 O ATOM 446 CB HIS B 10 -36.087 21.872 -6.212 1.00 0.00 C ATOM 447 CG HIS B 10 -37.550 22.163 -6.413 1.00 0.00 C ATOM 448 ND1 HIS B 10 -38.548 21.889 -5.481 1.00 0.00 N ATOM 449 CD2 HIS B 10 -38.118 22.721 -7.521 1.00 0.00 C ATOM 450 CE1 HIS B 10 -39.698 22.277 -6.047 1.00 0.00 C ATOM 451 NE2 HIS B 10 -39.472 22.783 -7.272 1.00 0.00 N ATOM 0 H HIS B 10 -35.827 24.308 -6.570 1.00 0.00 H new ATOM 0 HA HIS B 10 -35.939 22.715 -4.230 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -35.571 21.971 -7.167 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -35.971 20.836 -5.893 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -37.608 23.049 -8.415 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -40.670 22.195 -5.584 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -40.181 23.150 -7.908 1.00 0.00 H new ATOM 459 N LEU B 11 -33.003 22.850 -5.726 1.00 0.00 N ATOM 460 CA LEU B 11 -31.580 22.538 -5.542 1.00 0.00 C ATOM 461 C LEU B 11 -31.028 23.093 -4.217 1.00 0.00 C ATOM 462 O LEU B 11 -30.405 22.345 -3.470 1.00 0.00 O ATOM 463 CB LEU B 11 -30.777 23.007 -6.774 1.00 0.00 C ATOM 464 CG LEU B 11 -29.247 22.852 -6.664 1.00 0.00 C ATOM 465 CD1 LEU B 11 -28.811 21.402 -6.462 1.00 0.00 C ATOM 466 CD2 LEU B 11 -28.594 23.366 -7.950 1.00 0.00 C ATOM 0 H LEU B 11 -33.187 23.486 -6.502 1.00 0.00 H new ATOM 0 HA LEU B 11 -31.469 21.456 -5.465 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -31.120 22.448 -7.645 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -31.007 24.056 -6.958 1.00 0.00 H new ATOM 0 HG LEU B 11 -28.933 23.426 -5.792 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -27.724 21.355 -6.392 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -29.251 21.014 -5.543 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -29.146 20.800 -7.307 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -27.512 23.258 -7.877 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -28.959 22.789 -8.799 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -28.845 24.417 -8.091 1.00 0.00 H new ATOM 478 N VAL B 12 -31.281 24.362 -3.881 1.00 0.00 N ATOM 479 CA VAL B 12 -30.816 24.931 -2.594 1.00 0.00 C ATOM 480 C VAL B 12 -31.538 24.321 -1.382 1.00 0.00 C ATOM 481 O VAL B 12 -30.912 24.122 -0.343 1.00 0.00 O ATOM 482 CB VAL B 12 -30.865 26.472 -2.567 1.00 0.00 C ATOM 483 CG1 VAL B 12 -29.960 27.067 -3.655 1.00 0.00 C ATOM 484 CG2 VAL B 12 -32.271 27.054 -2.733 1.00 0.00 C ATOM 0 H VAL B 12 -31.799 25.015 -4.469 1.00 0.00 H new ATOM 0 HA VAL B 12 -29.766 24.650 -2.514 1.00 0.00 H new ATOM 0 HB VAL B 12 -30.511 26.748 -1.574 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -30.011 28.155 -3.616 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -28.932 26.746 -3.489 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -30.294 26.723 -4.634 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -32.220 28.142 -2.703 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -32.686 26.736 -3.690 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -32.910 26.698 -1.925 1.00 0.00 H new ATOM 494 N GLU B 13 -32.810 23.927 -1.527 1.00 0.00 N ATOM 495 CA GLU B 13 -33.513 23.139 -0.508 1.00 0.00 C ATOM 496 C GLU B 13 -32.936 21.719 -0.377 1.00 0.00 C ATOM 497 O GLU B 13 -32.800 21.216 0.734 1.00 0.00 O ATOM 498 CB GLU B 13 -35.021 23.125 -0.818 1.00 0.00 C ATOM 499 CG GLU B 13 -35.870 22.266 0.144 1.00 0.00 C ATOM 500 CD GLU B 13 -35.783 22.633 1.631 1.00 0.00 C ATOM 501 OE1 GLU B 13 -36.023 21.866 2.550 1.00 0.00 O ATOM 502 OE2 GLU B 13 -35.401 23.891 1.925 1.00 0.00 O ATOM 0 H GLU B 13 -33.376 24.144 -2.347 1.00 0.00 H new ATOM 0 HA GLU B 13 -33.363 23.612 0.462 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -35.393 24.149 -0.793 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -35.166 22.758 -1.834 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -36.913 22.333 -0.166 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -35.570 21.224 0.029 1.00 0.00 H new ATOM 510 N ALA B 14 -32.547 21.077 -1.480 1.00 0.00 N ATOM 511 CA ALA B 14 -31.887 19.774 -1.453 1.00 0.00 C ATOM 512 C ALA B 14 -30.469 19.842 -0.860 1.00 0.00 C ATOM 513 O ALA B 14 -30.103 18.940 -0.116 1.00 0.00 O ATOM 514 CB ALA B 14 -31.881 19.190 -2.864 1.00 0.00 C ATOM 0 H ALA B 14 -32.682 21.449 -2.420 1.00 0.00 H new ATOM 0 HA ALA B 14 -32.450 19.116 -0.791 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -31.390 18.217 -2.853 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -32.907 19.075 -3.215 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -31.342 19.861 -3.533 1.00 0.00 H new ATOM 520 N LEU B 15 -29.697 20.908 -1.107 1.00 0.00 N ATOM 521 CA LEU B 15 -28.430 21.146 -0.405 1.00 0.00 C ATOM 522 C LEU B 15 -28.661 21.345 1.101 1.00 0.00 C ATOM 523 O LEU B 15 -27.979 20.714 1.902 1.00 0.00 O ATOM 524 CB LEU B 15 -27.675 22.341 -1.018 1.00 0.00 C ATOM 525 CG LEU B 15 -27.142 22.123 -2.448 1.00 0.00 C ATOM 526 CD1 LEU B 15 -26.552 23.434 -2.978 1.00 0.00 C ATOM 527 CD2 LEU B 15 -26.053 21.050 -2.524 1.00 0.00 C ATOM 0 H LEU B 15 -29.931 21.625 -1.794 1.00 0.00 H new ATOM 0 HA LEU B 15 -27.806 20.261 -0.529 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -28.340 23.205 -1.024 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -26.835 22.590 -0.369 1.00 0.00 H new ATOM 0 HG LEU B 15 -27.989 21.789 -3.048 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -26.175 23.281 -3.989 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -27.326 24.202 -2.992 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -25.735 23.753 -2.331 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -25.719 20.943 -3.556 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -25.210 21.342 -1.898 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -26.454 20.099 -2.172 1.00 0.00 H new ATOM 539 N TYR B 16 -29.675 22.117 1.510 1.00 0.00 N ATOM 540 CA TYR B 16 -30.053 22.234 2.925 1.00 0.00 C ATOM 541 C TYR B 16 -30.348 20.863 3.573 1.00 0.00 C ATOM 542 O TYR B 16 -29.836 20.574 4.652 1.00 0.00 O ATOM 543 CB TYR B 16 -31.240 23.203 3.049 1.00 0.00 C ATOM 544 CG TYR B 16 -31.801 23.349 4.449 1.00 0.00 C ATOM 545 CD1 TYR B 16 -31.152 24.178 5.385 1.00 0.00 C ATOM 546 CD2 TYR B 16 -32.972 22.656 4.816 1.00 0.00 C ATOM 547 CE1 TYR B 16 -31.670 24.315 6.689 1.00 0.00 C ATOM 548 CE2 TYR B 16 -33.494 22.793 6.116 1.00 0.00 C ATOM 549 CZ TYR B 16 -32.845 23.622 7.055 1.00 0.00 C ATOM 550 OH TYR B 16 -33.348 23.747 8.312 1.00 0.00 O ATOM 0 H TYR B 16 -30.251 22.673 0.878 1.00 0.00 H new ATOM 0 HA TYR B 16 -29.206 22.638 3.480 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -30.927 24.185 2.694 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -32.037 22.864 2.387 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -30.255 24.710 5.103 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -33.469 22.019 4.099 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -31.170 24.948 7.406 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -34.393 22.263 6.395 1.00 0.00 H new ATOM 0 HH TYR B 16 -34.160 23.204 8.395 1.00 0.00 H new ATOM 560 N LEU B 17 -31.106 19.994 2.896 1.00 0.00 N ATOM 561 CA LEU B 17 -31.447 18.651 3.387 1.00 0.00 C ATOM 562 C LEU B 17 -30.281 17.639 3.342 1.00 0.00 C ATOM 563 O LEU B 17 -30.167 16.820 4.251 1.00 0.00 O ATOM 564 CB LEU B 17 -32.656 18.123 2.590 1.00 0.00 C ATOM 565 CG LEU B 17 -33.965 18.910 2.808 1.00 0.00 C ATOM 566 CD1 LEU B 17 -34.999 18.486 1.763 1.00 0.00 C ATOM 567 CD2 LEU B 17 -34.559 18.679 4.197 1.00 0.00 C ATOM 0 H LEU B 17 -31.505 20.204 1.981 1.00 0.00 H new ATOM 0 HA LEU B 17 -31.690 18.752 4.445 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -32.410 18.141 1.528 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -32.825 17.081 2.861 1.00 0.00 H new ATOM 0 HG LEU B 17 -33.721 19.968 2.713 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -35.923 19.043 1.919 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -34.614 18.694 0.765 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -35.198 17.419 1.860 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -35.479 19.255 4.300 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -34.778 17.619 4.327 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -33.845 18.998 4.956 1.00 0.00 H new ATOM 579 N VAL B 18 -29.433 17.658 2.306 1.00 0.00 N ATOM 580 CA VAL B 18 -28.333 16.685 2.113 1.00 0.00 C ATOM 581 C VAL B 18 -27.055 17.086 2.851 1.00 0.00 C ATOM 582 O VAL B 18 -26.379 16.229 3.421 1.00 0.00 O ATOM 583 CB VAL B 18 -28.048 16.471 0.609 1.00 0.00 C ATOM 584 CG1 VAL B 18 -26.804 15.611 0.335 1.00 0.00 C ATOM 585 CG2 VAL B 18 -29.233 15.763 -0.064 1.00 0.00 C ATOM 0 H VAL B 18 -29.486 18.356 1.564 1.00 0.00 H new ATOM 0 HA VAL B 18 -28.668 15.743 2.548 1.00 0.00 H new ATOM 0 HB VAL B 18 -27.882 17.470 0.205 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -26.666 15.503 -0.741 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -25.927 16.092 0.767 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -26.936 14.627 0.784 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -29.017 15.619 -1.123 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -29.394 14.794 0.408 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -30.130 16.373 0.044 1.00 0.00 H new ATOM 595 N CYS B 19 -26.704 18.372 2.846 1.00 0.00 N ATOM 596 CA CYS B 19 -25.526 18.882 3.545 1.00 0.00 C ATOM 597 C CYS B 19 -25.797 19.100 5.046 1.00 0.00 C ATOM 598 O CYS B 19 -24.907 18.872 5.870 1.00 0.00 O ATOM 599 CB CYS B 19 -25.054 20.185 2.888 1.00 0.00 C ATOM 600 SG CYS B 19 -24.988 20.270 1.073 1.00 0.00 S ATOM 0 H CYS B 19 -27.232 19.093 2.354 1.00 0.00 H new ATOM 0 HA CYS B 19 -24.739 18.132 3.466 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -25.708 20.986 3.233 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -24.055 20.404 3.266 1.00 0.00 H new ATOM 605 N GLY B 20 -27.021 19.512 5.409 1.00 0.00 N ATOM 606 CA GLY B 20 -27.521 19.595 6.784 1.00 0.00 C ATOM 607 C GLY B 20 -26.584 20.334 7.741 1.00 0.00 C ATOM 608 O GLY B 20 -26.374 21.541 7.628 1.00 0.00 O ATOM 0 H GLY B 20 -27.715 19.808 4.723 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -28.489 20.097 6.779 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -27.688 18.586 7.161 1.00 0.00 H new ATOM 612 N GLU B 21 -25.982 19.582 8.668 1.00 0.00 N ATOM 613 CA GLU B 21 -25.089 20.081 9.726 1.00 0.00 C ATOM 614 C GLU B 21 -23.868 20.881 9.222 1.00 0.00 C ATOM 615 O GLU B 21 -23.208 21.539 10.023 1.00 0.00 O ATOM 616 CB GLU B 21 -24.579 18.892 10.569 1.00 0.00 C ATOM 617 CG GLU B 21 -25.652 17.923 11.097 1.00 0.00 C ATOM 618 CD GLU B 21 -26.741 18.625 11.895 1.00 0.00 C ATOM 619 OE1 GLU B 21 -27.803 19.009 11.434 1.00 0.00 O ATOM 620 OE2 GLU B 21 -26.467 18.827 13.197 1.00 0.00 O ATOM 0 H GLU B 21 -26.106 18.570 8.706 1.00 0.00 H new ATOM 0 HA GLU B 21 -25.692 20.774 10.312 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -23.871 18.323 9.966 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -24.026 19.288 11.421 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -26.106 17.398 10.256 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -25.177 17.169 11.725 1.00 0.00 H new ATOM 628 N ARG B 22 -23.533 20.794 7.928 1.00 0.00 N ATOM 629 CA ARG B 22 -22.360 21.436 7.307 1.00 0.00 C ATOM 630 C ARG B 22 -22.610 22.879 6.844 1.00 0.00 C ATOM 631 O ARG B 22 -21.652 23.619 6.643 1.00 0.00 O ATOM 632 CB ARG B 22 -21.921 20.592 6.097 1.00 0.00 C ATOM 633 CG ARG B 22 -21.622 19.121 6.434 1.00 0.00 C ATOM 634 CD ARG B 22 -21.412 18.335 5.140 1.00 0.00 C ATOM 635 NE ARG B 22 -21.514 16.883 5.356 1.00 0.00 N ATOM 636 CZ ARG B 22 -20.516 16.057 5.614 1.00 0.00 C ATOM 637 NH1 ARG B 22 -19.282 16.433 5.755 1.00 0.00 N ATOM 638 NH2 ARG B 22 -20.757 14.785 5.768 1.00 0.00 N ATOM 0 H ARG B 22 -24.087 20.258 7.260 1.00 0.00 H new ATOM 0 HA ARG B 22 -21.586 21.487 8.073 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -22.703 20.628 5.339 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -21.030 21.041 5.658 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -20.733 19.054 7.061 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -22.447 18.692 7.003 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -22.153 18.645 4.403 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -20.432 18.572 4.726 1.00 0.00 H new ATOM 0 HE ARG B 22 -22.447 16.474 5.301 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -19.036 17.419 5.667 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -18.558 15.743 5.954 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -21.711 14.434 5.689 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -19.991 14.141 5.967 1.00 0.00 H new ATOM 652 N GLY B 23 -23.869 23.264 6.612 1.00 0.00 N ATOM 653 CA GLY B 23 -24.175 24.337 5.655 1.00 0.00 C ATOM 654 C GLY B 23 -23.849 23.904 4.216 1.00 0.00 C ATOM 655 O GLY B 23 -23.709 22.712 3.955 1.00 0.00 O ATOM 0 H GLY B 23 -24.685 22.855 7.067 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -25.229 24.604 5.728 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -23.602 25.229 5.908 1.00 0.00 H new ATOM 659 N PHE B 24 -23.752 24.848 3.273 1.00 0.00 N ATOM 660 CA PHE B 24 -23.342 24.577 1.886 1.00 0.00 C ATOM 661 C PHE B 24 -22.827 25.839 1.176 1.00 0.00 C ATOM 662 O PHE B 24 -23.111 26.964 1.592 1.00 0.00 O ATOM 663 CB PHE B 24 -24.499 23.943 1.090 1.00 0.00 C ATOM 664 CG PHE B 24 -25.775 24.759 0.977 1.00 0.00 C ATOM 665 CD1 PHE B 24 -26.823 24.547 1.892 1.00 0.00 C ATOM 666 CD2 PHE B 24 -25.943 25.680 -0.075 1.00 0.00 C ATOM 667 CE1 PHE B 24 -28.026 25.263 1.764 1.00 0.00 C ATOM 668 CE2 PHE B 24 -27.149 26.394 -0.205 1.00 0.00 C ATOM 669 CZ PHE B 24 -28.191 26.184 0.715 1.00 0.00 C ATOM 0 H PHE B 24 -23.957 25.831 3.450 1.00 0.00 H new ATOM 0 HA PHE B 24 -22.514 23.869 1.929 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -24.142 23.728 0.083 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -24.746 22.987 1.551 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -26.703 23.833 2.694 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -25.144 25.839 -0.784 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -28.825 25.105 2.473 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -27.274 27.102 -1.011 1.00 0.00 H new ATOM 0 HZ PHE B 24 -29.118 26.730 0.616 1.00 0.00 H new ATOM 679 N PHE B 25 -22.097 25.644 0.075 1.00 0.00 N ATOM 680 CA PHE B 25 -21.647 26.704 -0.837 1.00 0.00 C ATOM 681 C PHE B 25 -22.400 26.668 -2.178 1.00 0.00 C ATOM 682 O PHE B 25 -23.059 25.689 -2.518 1.00 0.00 O ATOM 683 CB PHE B 25 -20.129 26.588 -1.045 1.00 0.00 C ATOM 684 CG PHE B 25 -19.313 26.962 0.176 1.00 0.00 C ATOM 685 CD1 PHE B 25 -19.041 28.318 0.446 1.00 0.00 C ATOM 686 CD2 PHE B 25 -18.826 25.966 1.042 1.00 0.00 C ATOM 687 CE1 PHE B 25 -18.283 28.677 1.575 1.00 0.00 C ATOM 688 CE2 PHE B 25 -18.067 26.325 2.170 1.00 0.00 C ATOM 689 CZ PHE B 25 -17.795 27.679 2.436 1.00 0.00 C ATOM 0 H PHE B 25 -21.792 24.716 -0.217 1.00 0.00 H new ATOM 0 HA PHE B 25 -21.873 27.669 -0.383 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -19.888 25.564 -1.331 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -19.836 27.229 -1.876 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -19.416 29.084 -0.216 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -19.035 24.926 0.840 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -18.076 29.717 1.780 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -17.692 25.560 2.833 1.00 0.00 H new ATOM 0 HZ PHE B 25 -17.211 27.952 3.302 1.00 0.00 H new ATOM 699 N TYR B 26 -22.281 27.728 -2.984 1.00 0.00 N ATOM 700 CA TYR B 26 -22.784 27.774 -4.364 1.00 0.00 C ATOM 701 C TYR B 26 -21.995 28.791 -5.212 1.00 0.00 C ATOM 702 O TYR B 26 -21.190 29.548 -4.675 1.00 0.00 O ATOM 703 CB TYR B 26 -24.291 28.081 -4.362 1.00 0.00 C ATOM 704 CG TYR B 26 -24.963 27.729 -5.675 1.00 0.00 C ATOM 705 CD1 TYR B 26 -25.146 26.373 -6.010 1.00 0.00 C ATOM 706 CD2 TYR B 26 -25.366 28.738 -6.571 1.00 0.00 C ATOM 707 CE1 TYR B 26 -25.734 26.021 -7.240 1.00 0.00 C ATOM 708 CE2 TYR B 26 -25.951 28.388 -7.803 1.00 0.00 C ATOM 709 CZ TYR B 26 -26.139 27.031 -8.138 1.00 0.00 C ATOM 710 OH TYR B 26 -26.704 26.709 -9.328 1.00 0.00 O ATOM 0 H TYR B 26 -21.825 28.593 -2.693 1.00 0.00 H new ATOM 0 HA TYR B 26 -22.636 26.797 -4.824 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -24.769 27.527 -3.554 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -24.441 29.140 -4.154 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -24.834 25.601 -5.322 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -25.227 29.778 -6.314 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -25.875 24.981 -7.495 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -26.256 29.161 -8.493 1.00 0.00 H new ATOM 0 HH TYR B 26 -26.232 25.944 -9.718 1.00 0.00 H new