USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 379 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 9 SER OG : rot 180:sc= 0.0926 USER MOD Set 1.2: B 29 LYS NZ :NH3+ -174:sc= 0.0929 (180deg=0) USER MOD Set 2.1: A 12 SER OG : rot -72:sc= 0.548 USER MOD Set 2.2: B 3 ASN : amide:sc= -3.04! K(o=-2.5!,f=-0.65) USER MOD Set 3.1: A 1 GLY N :NH3+ -134:sc= 0.888 (180deg=-0.0121) USER MOD Set 3.2: A 5 GLN : amide:sc= -0.461 K(o=0.43,f=-6.6!) USER MOD Single : A 9 SER OG : rot 180:sc= -0.851 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.421 X(o=-0.42,f=-0.23) USER MOD Single : A 18 ASN : amide:sc= -3.18! C(o=-3.2!,f=0.3!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.21 X(o=-0.21,f=-0.0036) USER MOD Single : B 1 PHE N :NH3+ -133:sc= 0.0182 (180deg=0) USER MOD Single : B 4 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.52) USER MOD Single : B 5 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-0.42) USER MOD Single : B 10 HIS : no HD1:sc= -0.251 X(o=-0.25,f=-0.051) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 95:sc= -1.15 USER MOD Single : B 27 THR OG1 : rot -74:sc= 0.854 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.153 18.943 -10.750 1.00 0.00 N ATOM 2 CA GLY A 1 -23.491 19.880 -9.666 1.00 0.00 C ATOM 3 C GLY A 1 -24.988 20.122 -9.518 1.00 0.00 C ATOM 4 O GLY A 1 -25.716 19.158 -9.398 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.454 18.253 -10.407 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.012 18.443 -11.057 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.754 19.470 -11.553 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.099 19.492 -8.726 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.993 20.832 -9.851 1.00 0.00 H new ATOM 10 N ILE A 2 -25.477 21.376 -9.431 1.00 0.00 N ATOM 11 CA ILE A 2 -26.458 21.793 -8.422 1.00 0.00 C ATOM 12 C ILE A 2 -27.783 22.295 -8.819 1.00 0.00 C ATOM 13 O ILE A 2 -28.807 21.886 -8.255 1.00 0.00 O ATOM 14 CB ILE A 2 -25.694 22.751 -7.457 1.00 0.00 C ATOM 15 CG1 ILE A 2 -25.742 22.264 -6.016 1.00 0.00 C ATOM 16 CG2 ILE A 2 -25.361 24.192 -7.818 1.00 0.00 C ATOM 17 CD1 ILE A 2 -25.159 20.829 -6.122 1.00 0.00 C ATOM 0 H ILE A 2 -25.198 22.126 -10.063 1.00 0.00 H new ATOM 0 HA ILE A 2 -26.811 20.872 -7.958 1.00 0.00 H new ATOM 0 HB ILE A 2 -24.651 22.709 -7.771 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -25.148 22.895 -5.355 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -26.759 22.260 -5.623 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -24.828 24.660 -6.991 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -24.734 24.208 -8.710 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -26.283 24.741 -8.012 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -25.142 20.369 -5.134 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -25.781 20.232 -6.790 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -24.144 20.877 -6.517 1.00 0.00 H new ATOM 29 N VAL A 3 -27.735 23.172 -9.801 1.00 0.00 N ATOM 30 CA VAL A 3 -28.971 23.815 -10.220 1.00 0.00 C ATOM 31 C VAL A 3 -29.473 23.317 -11.553 1.00 0.00 C ATOM 32 O VAL A 3 -30.622 22.998 -11.821 1.00 0.00 O ATOM 33 CB VAL A 3 -28.885 25.319 -10.010 1.00 0.00 C ATOM 34 CG1 VAL A 3 -29.969 26.119 -10.749 1.00 0.00 C ATOM 35 CG2 VAL A 3 -29.043 25.709 -8.530 1.00 0.00 C ATOM 0 H VAL A 3 -26.894 23.450 -10.308 1.00 0.00 H new ATOM 0 HA VAL A 3 -29.788 23.506 -9.568 1.00 0.00 H new ATOM 0 HB VAL A 3 -27.898 25.564 -10.402 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -29.838 27.182 -10.547 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -29.886 25.940 -11.821 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -30.953 25.803 -10.404 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -28.975 26.792 -8.430 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -30.014 25.372 -8.166 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -28.253 25.240 -7.944 1.00 0.00 H new ATOM 45 N GLU A 4 -28.466 23.341 -12.381 1.00 0.00 N ATOM 46 CA GLU A 4 -28.507 23.729 -13.742 1.00 0.00 C ATOM 47 C GLU A 4 -27.850 22.844 -14.750 1.00 0.00 C ATOM 48 O GLU A 4 -28.407 22.321 -15.709 1.00 0.00 O ATOM 49 CB GLU A 4 -27.854 25.135 -13.692 1.00 0.00 C ATOM 50 CG GLU A 4 -26.596 25.462 -12.820 1.00 0.00 C ATOM 51 CD GLU A 4 -26.495 26.948 -12.435 1.00 0.00 C ATOM 52 OE1 GLU A 4 -27.201 27.839 -12.893 1.00 0.00 O ATOM 53 OE2 GLU A 4 -25.523 27.205 -11.519 1.00 0.00 O ATOM 0 H GLU A 4 -27.528 23.067 -12.088 1.00 0.00 H new ATOM 0 HA GLU A 4 -29.532 23.683 -14.109 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -27.593 25.391 -14.719 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -28.635 25.828 -13.379 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -26.625 24.859 -11.912 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -25.698 25.173 -13.366 1.00 0.00 H new ATOM 61 N GLN A 5 -26.635 22.685 -14.333 1.00 0.00 N ATOM 62 CA GLN A 5 -25.941 21.498 -13.968 1.00 0.00 C ATOM 63 C GLN A 5 -26.764 20.207 -14.017 1.00 0.00 C ATOM 64 O GLN A 5 -26.337 19.180 -14.537 1.00 0.00 O ATOM 65 CB GLN A 5 -25.477 21.681 -12.520 1.00 0.00 C ATOM 66 CG GLN A 5 -24.581 22.882 -12.202 1.00 0.00 C ATOM 67 CD GLN A 5 -23.099 22.538 -12.048 1.00 0.00 C ATOM 68 OE1 GLN A 5 -22.674 21.395 -12.065 1.00 0.00 O ATOM 69 NE2 GLN A 5 -22.246 23.528 -11.884 1.00 0.00 N ATOM 0 H GLN A 5 -26.028 23.498 -14.228 1.00 0.00 H new ATOM 0 HA GLN A 5 -25.140 21.375 -14.697 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -26.364 21.749 -11.890 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -24.944 20.778 -12.223 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -24.690 23.622 -12.995 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -24.931 23.348 -11.281 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -22.580 24.492 -11.867 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -21.251 23.331 -11.774 1.00 0.00 H new ATOM 78 N CYS A 6 -27.949 20.287 -13.379 1.00 0.00 N ATOM 79 CA CYS A 6 -29.042 19.333 -13.331 1.00 0.00 C ATOM 80 C CYS A 6 -30.114 19.475 -14.394 1.00 0.00 C ATOM 81 O CYS A 6 -30.563 18.494 -15.005 1.00 0.00 O ATOM 82 CB CYS A 6 -29.719 19.547 -11.992 1.00 0.00 C ATOM 83 SG CYS A 6 -28.734 19.237 -10.525 1.00 0.00 S ATOM 0 H CYS A 6 -28.173 21.117 -12.830 1.00 0.00 H new ATOM 0 HA CYS A 6 -28.601 18.350 -13.496 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -30.073 20.577 -11.952 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -30.600 18.906 -11.951 1.00 0.00 H new ATOM 88 N CYS A 7 -30.517 20.722 -14.559 1.00 0.00 N ATOM 89 CA CYS A 7 -31.674 21.124 -15.313 1.00 0.00 C ATOM 90 C CYS A 7 -31.566 20.794 -16.820 1.00 0.00 C ATOM 91 O CYS A 7 -32.510 20.279 -17.418 1.00 0.00 O ATOM 92 CB CYS A 7 -31.777 22.610 -14.979 1.00 0.00 C ATOM 93 SG CYS A 7 -33.388 23.367 -15.313 1.00 0.00 S ATOM 0 H CYS A 7 -30.019 21.512 -14.149 1.00 0.00 H new ATOM 0 HA CYS A 7 -32.583 20.582 -15.052 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -31.542 22.746 -13.923 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -31.017 23.147 -15.546 1.00 0.00 H new ATOM 98 N ALA A 8 -30.371 20.985 -17.398 1.00 0.00 N ATOM 99 CA ALA A 8 -29.766 20.091 -18.397 1.00 0.00 C ATOM 100 C ALA A 8 -29.079 18.932 -17.684 1.00 0.00 C ATOM 101 O ALA A 8 -28.353 19.163 -16.730 1.00 0.00 O ATOM 102 CB ALA A 8 -28.787 20.988 -19.170 1.00 0.00 C ATOM 0 H ALA A 8 -29.782 21.788 -17.177 1.00 0.00 H new ATOM 0 HA ALA A 8 -30.483 19.634 -19.079 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -28.287 20.401 -19.941 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -29.334 21.807 -19.636 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -28.044 21.392 -18.483 1.00 0.00 H new ATOM 108 N SER A 9 -29.332 17.710 -18.149 1.00 0.00 N ATOM 109 CA SER A 9 -29.474 16.515 -17.338 1.00 0.00 C ATOM 110 C SER A 9 -28.246 15.990 -16.622 1.00 0.00 C ATOM 111 O SER A 9 -27.158 16.543 -16.514 1.00 0.00 O ATOM 112 CB SER A 9 -30.016 15.499 -18.336 1.00 0.00 C ATOM 113 OG SER A 9 -30.565 14.255 -17.919 1.00 0.00 O ATOM 0 H SER A 9 -29.448 17.524 -19.145 1.00 0.00 H new ATOM 0 HA SER A 9 -30.112 16.734 -16.482 1.00 0.00 H new ATOM 0 HB2 SER A 9 -30.789 16.006 -18.913 1.00 0.00 H new ATOM 0 HB3 SER A 9 -29.203 15.269 -19.024 1.00 0.00 H new ATOM 0 HG SER A 9 -30.858 13.747 -18.704 1.00 0.00 H new ATOM 119 N VAL A 10 -28.521 14.796 -16.192 1.00 0.00 N ATOM 120 CA VAL A 10 -28.856 14.516 -14.835 1.00 0.00 C ATOM 121 C VAL A 10 -27.681 14.542 -13.819 1.00 0.00 C ATOM 122 O VAL A 10 -26.523 14.362 -14.191 1.00 0.00 O ATOM 123 CB VAL A 10 -29.718 13.257 -14.969 1.00 0.00 C ATOM 124 CG1 VAL A 10 -29.242 12.086 -14.178 1.00 0.00 C ATOM 125 CG2 VAL A 10 -31.220 13.538 -14.961 1.00 0.00 C ATOM 0 H VAL A 10 -28.518 13.971 -16.792 1.00 0.00 H new ATOM 0 HA VAL A 10 -29.413 15.308 -14.334 1.00 0.00 H new ATOM 0 HB VAL A 10 -29.553 12.898 -15.985 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -29.914 11.243 -14.336 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -28.237 11.814 -14.500 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -29.226 12.344 -13.119 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -31.766 12.600 -15.060 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -31.495 14.021 -14.023 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -31.472 14.194 -15.794 1.00 0.00 H new ATOM 135 N CYS A 11 -28.003 14.847 -12.549 1.00 0.00 N ATOM 136 CA CYS A 11 -27.092 15.171 -11.447 1.00 0.00 C ATOM 137 C CYS A 11 -27.309 14.360 -10.138 1.00 0.00 C ATOM 138 O CYS A 11 -28.389 13.844 -9.867 1.00 0.00 O ATOM 139 CB CYS A 11 -27.192 16.686 -11.215 1.00 0.00 C ATOM 140 SG CYS A 11 -28.744 17.222 -10.439 1.00 0.00 S ATOM 0 H CYS A 11 -28.978 14.874 -12.249 1.00 0.00 H new ATOM 0 HA CYS A 11 -26.085 14.874 -11.741 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -26.358 17.002 -10.588 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -27.083 17.196 -12.172 1.00 0.00 H new ATOM 145 N SER A 12 -26.235 14.217 -9.349 1.00 0.00 N ATOM 146 CA SER A 12 -25.923 13.039 -8.663 1.00 0.00 C ATOM 147 C SER A 12 -25.702 13.043 -7.179 1.00 0.00 C ATOM 148 O SER A 12 -26.272 13.745 -6.381 1.00 0.00 O ATOM 149 CB SER A 12 -24.789 12.522 -9.570 1.00 0.00 C ATOM 150 OG SER A 12 -24.739 12.912 -10.935 1.00 0.00 O ATOM 0 H SER A 12 -25.562 14.967 -9.192 1.00 0.00 H new ATOM 0 HA SER A 12 -26.781 12.377 -8.546 1.00 0.00 H new ATOM 0 HB2 SER A 12 -23.846 12.821 -9.112 1.00 0.00 H new ATOM 0 HB3 SER A 12 -24.824 11.433 -9.545 1.00 0.00 H new ATOM 0 HG SER A 12 -25.456 12.464 -11.430 1.00 0.00 H new ATOM 156 N LEU A 13 -24.813 12.131 -6.890 1.00 0.00 N ATOM 157 CA LEU A 13 -23.646 12.154 -6.019 1.00 0.00 C ATOM 158 C LEU A 13 -22.873 13.410 -6.107 1.00 0.00 C ATOM 159 O LEU A 13 -22.077 13.604 -5.219 1.00 0.00 O ATOM 160 CB LEU A 13 -22.829 11.064 -6.709 1.00 0.00 C ATOM 161 CG LEU A 13 -23.621 9.738 -6.946 1.00 0.00 C ATOM 162 CD1 LEU A 13 -23.281 9.099 -8.251 1.00 0.00 C ATOM 163 CD2 LEU A 13 -23.590 8.976 -5.687 1.00 0.00 C ATOM 0 H LEU A 13 -24.897 11.211 -7.323 1.00 0.00 H new ATOM 0 HA LEU A 13 -23.891 12.039 -4.963 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -22.474 11.441 -7.668 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -21.947 10.847 -6.106 1.00 0.00 H new ATOM 0 HG LEU A 13 -24.686 9.875 -7.133 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -23.858 8.181 -8.368 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -23.520 9.784 -9.065 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -22.217 8.864 -8.275 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -24.135 8.041 -5.814 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -22.556 8.760 -5.418 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -24.056 9.562 -4.895 1.00 0.00 H new ATOM 175 N TYR A 14 -23.157 14.214 -7.109 1.00 0.00 N ATOM 176 CA TYR A 14 -22.578 15.530 -7.444 1.00 0.00 C ATOM 177 C TYR A 14 -23.240 16.846 -7.375 1.00 0.00 C ATOM 178 O TYR A 14 -22.657 17.906 -7.428 1.00 0.00 O ATOM 179 CB TYR A 14 -22.443 15.270 -8.859 1.00 0.00 C ATOM 180 CG TYR A 14 -21.605 16.039 -9.787 1.00 0.00 C ATOM 181 CD1 TYR A 14 -20.287 15.744 -9.421 1.00 0.00 C ATOM 182 CD2 TYR A 14 -22.033 15.704 -11.075 1.00 0.00 C ATOM 183 CE1 TYR A 14 -19.609 14.775 -10.211 1.00 0.00 C ATOM 184 CE2 TYR A 14 -21.722 14.345 -11.309 1.00 0.00 C ATOM 185 CZ TYR A 14 -20.359 13.993 -11.110 1.00 0.00 C ATOM 186 OH TYR A 14 -19.887 12.796 -11.535 1.00 0.00 O ATOM 0 H TYR A 14 -23.870 13.950 -7.788 1.00 0.00 H new ATOM 0 HA TYR A 14 -21.797 15.717 -6.707 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -22.107 14.236 -8.941 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -23.453 15.310 -9.267 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -19.809 16.227 -8.582 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -22.519 16.370 -11.773 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -18.541 14.642 -10.123 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -22.466 13.626 -11.617 1.00 0.00 H new ATOM 0 HH TYR A 14 -20.532 12.390 -12.151 1.00 0.00 H new ATOM 196 N GLN A 15 -24.418 16.627 -7.022 1.00 0.00 N ATOM 197 CA GLN A 15 -24.904 17.403 -5.859 1.00 0.00 C ATOM 198 C GLN A 15 -23.901 17.384 -4.711 1.00 0.00 C ATOM 199 O GLN A 15 -23.384 18.375 -4.205 1.00 0.00 O ATOM 200 CB GLN A 15 -26.193 16.755 -5.466 1.00 0.00 C ATOM 201 CG GLN A 15 -27.220 16.557 -6.523 1.00 0.00 C ATOM 202 CD GLN A 15 -28.133 17.749 -6.729 1.00 0.00 C ATOM 203 OE1 GLN A 15 -29.139 17.916 -6.043 1.00 0.00 O ATOM 204 NE2 GLN A 15 -27.814 18.689 -7.584 1.00 0.00 N ATOM 0 H GLN A 15 -25.073 15.973 -7.450 1.00 0.00 H new ATOM 0 HA GLN A 15 -25.039 18.455 -6.109 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -25.961 15.780 -5.038 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -26.640 17.353 -4.672 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -26.719 16.330 -7.464 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -27.826 15.688 -6.267 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -26.986 18.585 -8.170 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -28.394 19.524 -7.663 1.00 0.00 H new ATOM 213 N LEU A 16 -23.636 16.122 -4.437 1.00 0.00 N ATOM 214 CA LEU A 16 -23.182 15.503 -3.227 1.00 0.00 C ATOM 215 C LEU A 16 -21.700 15.277 -2.970 1.00 0.00 C ATOM 216 O LEU A 16 -21.240 14.953 -1.868 1.00 0.00 O ATOM 217 CB LEU A 16 -24.127 14.305 -3.229 1.00 0.00 C ATOM 218 CG LEU A 16 -25.583 14.530 -2.853 1.00 0.00 C ATOM 219 CD1 LEU A 16 -26.159 13.210 -2.465 1.00 0.00 C ATOM 220 CD2 LEU A 16 -25.782 15.783 -2.045 1.00 0.00 C ATOM 0 H LEU A 16 -23.754 15.419 -5.166 1.00 0.00 H new ATOM 0 HA LEU A 16 -23.231 16.152 -2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -24.106 13.868 -4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -23.719 13.560 -2.546 1.00 0.00 H new ATOM 0 HG LEU A 16 -26.237 14.828 -3.672 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -27.206 13.337 -2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -26.087 12.520 -3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -25.606 12.807 -1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -26.839 15.896 -1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -25.204 15.717 -1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -25.448 16.645 -2.622 1.00 0.00 H new ATOM 232 N GLU A 17 -20.955 15.623 -3.993 1.00 0.00 N ATOM 233 CA GLU A 17 -19.548 15.945 -4.041 1.00 0.00 C ATOM 234 C GLU A 17 -19.492 17.466 -3.948 1.00 0.00 C ATOM 235 O GLU A 17 -18.929 18.076 -3.036 1.00 0.00 O ATOM 236 CB GLU A 17 -19.011 15.564 -5.429 1.00 0.00 C ATOM 237 CG GLU A 17 -19.457 14.236 -5.916 1.00 0.00 C ATOM 238 CD GLU A 17 -18.660 13.575 -7.057 1.00 0.00 C ATOM 239 OE1 GLU A 17 -17.530 13.880 -7.402 1.00 0.00 O ATOM 240 OE2 GLU A 17 -19.332 12.551 -7.649 1.00 0.00 O ATOM 0 H GLU A 17 -21.371 15.694 -4.922 1.00 0.00 H new ATOM 0 HA GLU A 17 -18.981 15.437 -3.261 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -19.322 16.324 -6.146 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -17.921 15.580 -5.400 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -19.454 13.552 -5.068 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -20.492 14.332 -6.244 1.00 0.00 H new ATOM 248 N ASN A 18 -20.024 18.042 -5.030 1.00 0.00 N ATOM 249 CA ASN A 18 -19.099 18.845 -5.791 1.00 0.00 C ATOM 250 C ASN A 18 -19.010 20.303 -5.327 1.00 0.00 C ATOM 251 O ASN A 18 -17.996 21.005 -5.327 1.00 0.00 O ATOM 252 CB ASN A 18 -19.602 18.493 -7.197 1.00 0.00 C ATOM 253 CG ASN A 18 -18.599 18.778 -8.296 1.00 0.00 C ATOM 254 OD1 ASN A 18 -18.247 17.999 -9.165 1.00 0.00 O ATOM 255 ND2 ASN A 18 -18.144 19.960 -8.163 1.00 0.00 N ATOM 0 H ASN A 18 -20.986 17.976 -5.364 1.00 0.00 H new ATOM 0 HA ASN A 18 -18.031 18.652 -5.690 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -19.865 17.436 -7.224 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -20.515 19.054 -7.397 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -17.437 20.310 -8.810 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -18.487 20.557 -7.410 1.00 0.00 H new ATOM 262 N TYR A 19 -20.213 20.728 -5.102 1.00 0.00 N ATOM 263 CA TYR A 19 -20.708 22.070 -4.943 1.00 0.00 C ATOM 264 C TYR A 19 -20.410 22.600 -3.565 1.00 0.00 C ATOM 265 O TYR A 19 -19.697 23.540 -3.240 1.00 0.00 O ATOM 266 CB TYR A 19 -22.171 21.815 -5.212 1.00 0.00 C ATOM 267 CG TYR A 19 -22.532 22.122 -6.584 1.00 0.00 C ATOM 268 CD1 TYR A 19 -22.406 23.413 -7.089 1.00 0.00 C ATOM 269 CD2 TYR A 19 -22.280 21.053 -7.424 1.00 0.00 C ATOM 270 CE1 TYR A 19 -22.209 23.469 -8.459 1.00 0.00 C ATOM 271 CE2 TYR A 19 -21.127 21.372 -8.098 1.00 0.00 C ATOM 272 CZ TYR A 19 -21.076 22.651 -8.749 1.00 0.00 C ATOM 273 OH TYR A 19 -19.888 23.277 -8.957 1.00 0.00 O ATOM 0 H TYR A 19 -20.975 20.056 -5.013 1.00 0.00 H new ATOM 0 HA TYR A 19 -20.271 22.836 -5.583 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -22.402 20.771 -5.001 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -22.775 22.418 -4.534 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -22.457 24.294 -6.467 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -22.868 20.153 -7.528 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -22.800 24.025 -9.172 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -20.292 20.688 -8.137 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.195 22.610 -9.144 1.00 0.00 H new ATOM 283 N CYS A 20 -21.109 21.845 -2.784 1.00 0.00 N ATOM 284 CA CYS A 20 -21.688 22.031 -1.469 1.00 0.00 C ATOM 285 C CYS A 20 -20.637 22.104 -0.341 1.00 0.00 C ATOM 286 O CYS A 20 -20.682 23.001 0.498 1.00 0.00 O ATOM 287 CB CYS A 20 -22.554 20.756 -1.426 1.00 0.00 C ATOM 288 SG CYS A 20 -23.150 20.093 0.153 1.00 0.00 S ATOM 0 H CYS A 20 -21.333 20.904 -3.109 1.00 0.00 H new ATOM 0 HA CYS A 20 -22.223 22.968 -1.315 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -23.431 20.943 -2.046 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -21.983 19.964 -1.911 1.00 0.00 H new ATOM 293 N ASN A 21 -19.647 21.194 -0.330 1.00 0.00 N ATOM 294 CA ASN A 21 -18.631 21.034 0.689 1.00 0.00 C ATOM 295 C ASN A 21 -17.554 22.134 0.664 1.00 0.00 C ATOM 296 O ASN A 21 -16.674 22.090 -0.224 1.00 0.00 O ATOM 297 CB ASN A 21 -18.120 19.604 0.388 1.00 0.00 C ATOM 298 CG ASN A 21 -17.025 19.056 1.317 1.00 0.00 C ATOM 299 OD1 ASN A 21 -17.225 18.088 2.042 1.00 0.00 O ATOM 300 ND2 ASN A 21 -15.857 19.657 1.355 1.00 0.00 N ATOM 301 OXT ASN A 21 -17.551 22.975 1.592 1.00 0.00 O ATOM 0 H ASN A 21 -19.541 20.516 -1.085 1.00 0.00 H new ATOM 0 HA ASN A 21 -18.997 21.144 1.710 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -18.970 18.923 0.425 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -17.741 19.585 -0.634 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.129 19.317 1.983 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -15.679 20.463 0.756 1.00 0.00 H new TER 308 ASN A 21 ATOM 309 N PHE B 1 -29.494 5.120 -9.783 1.00 0.00 N ATOM 310 CA PHE B 1 -28.611 5.502 -8.644 1.00 0.00 C ATOM 311 C PHE B 1 -29.426 6.333 -7.614 1.00 0.00 C ATOM 312 O PHE B 1 -30.612 6.080 -7.376 1.00 0.00 O ATOM 313 CB PHE B 1 -27.284 6.187 -9.153 1.00 0.00 C ATOM 314 CG PHE B 1 -26.139 5.921 -8.222 1.00 0.00 C ATOM 315 CD1 PHE B 1 -25.817 6.769 -7.144 1.00 0.00 C ATOM 316 CD2 PHE B 1 -26.015 4.540 -8.109 1.00 0.00 C ATOM 317 CE1 PHE B 1 -25.755 6.157 -5.863 1.00 0.00 C ATOM 318 CE2 PHE B 1 -26.325 4.031 -6.870 1.00 0.00 C ATOM 319 CZ PHE B 1 -26.152 4.810 -5.719 1.00 0.00 C ATOM 0 H1 PHE B 1 -29.370 4.109 -9.995 1.00 0.00 H new ATOM 0 H2 PHE B 1 -30.486 5.301 -9.529 1.00 0.00 H new ATOM 0 H3 PHE B 1 -29.243 5.683 -10.621 1.00 0.00 H new ATOM 0 HA PHE B 1 -28.267 4.613 -8.115 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -27.040 5.815 -10.148 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -27.439 7.262 -9.243 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -25.628 7.823 -7.283 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -25.699 3.915 -8.932 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -25.407 6.717 -5.008 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -26.705 3.024 -6.784 1.00 0.00 H new ATOM 0 HZ PHE B 1 -26.319 4.388 -4.739 1.00 0.00 H new ATOM 331 N VAL B 2 -28.792 7.368 -7.078 1.00 0.00 N ATOM 332 CA VAL B 2 -29.325 8.505 -6.264 1.00 0.00 C ATOM 333 C VAL B 2 -30.211 9.441 -7.056 1.00 0.00 C ATOM 334 O VAL B 2 -31.190 10.067 -6.638 1.00 0.00 O ATOM 335 CB VAL B 2 -28.098 9.313 -5.775 1.00 0.00 C ATOM 336 CG1 VAL B 2 -28.261 10.820 -5.501 1.00 0.00 C ATOM 337 CG2 VAL B 2 -27.610 8.687 -4.471 1.00 0.00 C ATOM 0 H VAL B 2 -27.784 7.462 -7.203 1.00 0.00 H new ATOM 0 HA VAL B 2 -29.930 8.095 -5.455 1.00 0.00 H new ATOM 0 HB VAL B 2 -27.414 9.258 -6.622 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -27.310 11.234 -5.166 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -28.575 11.324 -6.415 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -29.014 10.970 -4.727 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -26.744 9.239 -4.104 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -28.407 8.726 -3.728 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -27.330 7.649 -4.648 1.00 0.00 H new ATOM 347 N ASN B 3 -29.660 9.604 -8.226 1.00 0.00 N ATOM 348 CA ASN B 3 -29.810 10.762 -9.110 1.00 0.00 C ATOM 349 C ASN B 3 -31.252 11.058 -9.582 1.00 0.00 C ATOM 350 O ASN B 3 -32.173 10.237 -9.564 1.00 0.00 O ATOM 351 CB ASN B 3 -29.062 10.467 -10.400 1.00 0.00 C ATOM 352 CG ASN B 3 -27.579 10.626 -10.440 1.00 0.00 C ATOM 353 OD1 ASN B 3 -26.956 11.176 -11.325 1.00 0.00 O ATOM 354 ND2 ASN B 3 -27.043 10.031 -9.431 1.00 0.00 N ATOM 0 H ASN B 3 -29.050 8.892 -8.629 1.00 0.00 H new ATOM 0 HA ASN B 3 -29.450 11.607 -8.524 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -29.288 9.439 -10.681 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -29.481 11.109 -11.175 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -26.028 10.001 -9.337 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -27.634 9.590 -8.726 1.00 0.00 H new ATOM 361 N GLN B 4 -31.306 12.293 -10.035 1.00 0.00 N ATOM 362 CA GLN B 4 -32.344 13.143 -10.475 1.00 0.00 C ATOM 363 C GLN B 4 -31.744 14.269 -11.315 1.00 0.00 C ATOM 364 O GLN B 4 -30.651 14.314 -11.881 1.00 0.00 O ATOM 365 CB GLN B 4 -33.019 13.643 -9.182 1.00 0.00 C ATOM 366 CG GLN B 4 -32.386 14.732 -8.310 1.00 0.00 C ATOM 367 CD GLN B 4 -31.041 14.355 -7.668 1.00 0.00 C ATOM 368 OE1 GLN B 4 -30.057 15.065 -7.783 1.00 0.00 O ATOM 369 NE2 GLN B 4 -30.937 13.260 -6.943 1.00 0.00 N ATOM 0 H GLN B 4 -30.425 12.803 -10.106 1.00 0.00 H new ATOM 0 HA GLN B 4 -33.079 12.654 -11.114 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -34.010 13.999 -9.461 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -33.162 12.771 -8.543 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -32.243 15.625 -8.918 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -33.088 14.995 -7.518 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -31.743 12.646 -6.828 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -30.050 13.026 -6.496 1.00 0.00 H new ATOM 378 N HIS B 5 -32.638 15.209 -11.312 1.00 0.00 N ATOM 379 CA HIS B 5 -33.191 15.975 -12.400 1.00 0.00 C ATOM 380 C HIS B 5 -32.984 17.448 -12.222 1.00 0.00 C ATOM 381 O HIS B 5 -32.616 18.227 -13.094 1.00 0.00 O ATOM 382 CB HIS B 5 -34.681 15.610 -12.342 1.00 0.00 C ATOM 383 CG HIS B 5 -35.395 15.090 -13.572 1.00 0.00 C ATOM 384 ND1 HIS B 5 -34.481 14.514 -14.439 1.00 0.00 N ATOM 385 CD2 HIS B 5 -36.238 14.047 -13.284 1.00 0.00 C ATOM 386 CE1 HIS B 5 -34.236 13.352 -13.822 1.00 0.00 C ATOM 387 NE2 HIS B 5 -35.449 12.927 -13.439 1.00 0.00 N ATOM 0 H HIS B 5 -33.056 15.499 -10.428 1.00 0.00 H new ATOM 0 HA HIS B 5 -32.720 15.750 -13.357 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -34.798 14.859 -11.561 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -35.217 16.500 -12.011 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -37.279 14.093 -13.001 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -33.283 12.869 -13.668 1.00 0.00 H new ATOM 0 HE2 HIS B 5 -35.734 11.959 -13.291 1.00 0.00 H new ATOM 395 N LEU B 6 -33.521 17.757 -11.084 1.00 0.00 N ATOM 396 CA LEU B 6 -34.331 18.935 -10.956 1.00 0.00 C ATOM 397 C LEU B 6 -33.612 20.232 -10.640 1.00 0.00 C ATOM 398 O LEU B 6 -32.429 20.333 -10.280 1.00 0.00 O ATOM 399 CB LEU B 6 -35.559 18.703 -10.075 1.00 0.00 C ATOM 400 CG LEU B 6 -36.995 18.736 -10.687 1.00 0.00 C ATOM 401 CD1 LEU B 6 -37.782 19.922 -10.129 1.00 0.00 C ATOM 402 CD2 LEU B 6 -37.059 18.939 -12.202 1.00 0.00 C ATOM 0 H LEU B 6 -33.415 17.212 -10.228 1.00 0.00 H new ATOM 0 HA LEU B 6 -34.676 19.107 -11.976 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -35.434 17.730 -9.601 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -35.531 19.450 -9.282 1.00 0.00 H new ATOM 0 HG LEU B 6 -37.396 17.756 -10.429 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -38.781 19.933 -10.564 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -37.859 19.830 -9.046 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -37.268 20.850 -10.379 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -38.100 18.946 -12.524 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -36.592 19.889 -12.462 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -36.531 18.126 -12.701 1.00 0.00 H new ATOM 414 N CYS B 7 -34.444 21.245 -10.842 1.00 0.00 N ATOM 415 CA CYS B 7 -34.072 22.627 -11.133 1.00 0.00 C ATOM 416 C CYS B 7 -34.657 23.644 -10.114 1.00 0.00 C ATOM 417 O CYS B 7 -34.514 24.859 -10.259 1.00 0.00 O ATOM 418 CB CYS B 7 -34.637 22.764 -12.544 1.00 0.00 C ATOM 419 SG CYS B 7 -33.962 24.162 -13.518 1.00 0.00 S ATOM 0 H CYS B 7 -35.456 21.119 -10.805 1.00 0.00 H new ATOM 0 HA CYS B 7 -33.006 22.842 -11.059 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -34.447 21.838 -13.087 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -35.719 22.877 -12.476 1.00 0.00 H new ATOM 424 N GLY B 8 -35.319 23.119 -9.079 1.00 0.00 N ATOM 425 CA GLY B 8 -35.927 23.857 -7.967 1.00 0.00 C ATOM 426 C GLY B 8 -34.986 24.352 -6.894 1.00 0.00 C ATOM 427 O GLY B 8 -33.748 24.353 -6.965 1.00 0.00 O ATOM 0 H GLY B 8 -35.453 22.112 -8.989 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -36.459 24.715 -8.377 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -36.672 23.215 -7.498 1.00 0.00 H new ATOM 431 N SER B 9 -35.699 24.767 -5.861 1.00 0.00 N ATOM 432 CA SER B 9 -35.311 25.452 -4.618 1.00 0.00 C ATOM 433 C SER B 9 -35.577 24.768 -3.340 1.00 0.00 C ATOM 434 O SER B 9 -35.185 25.152 -2.248 1.00 0.00 O ATOM 435 CB SER B 9 -36.164 26.690 -4.537 1.00 0.00 C ATOM 436 OG SER B 9 -35.918 27.581 -5.606 1.00 0.00 O ATOM 0 H SER B 9 -36.707 24.614 -5.867 1.00 0.00 H new ATOM 0 HA SER B 9 -34.230 25.567 -4.699 1.00 0.00 H new ATOM 0 HB2 SER B 9 -37.216 26.405 -4.539 1.00 0.00 H new ATOM 0 HB3 SER B 9 -35.974 27.199 -3.592 1.00 0.00 H new ATOM 0 HG SER B 9 -36.494 28.369 -5.514 1.00 0.00 H new ATOM 442 N HIS B 10 -36.202 23.675 -3.549 1.00 0.00 N ATOM 443 CA HIS B 10 -36.713 22.752 -2.576 1.00 0.00 C ATOM 444 C HIS B 10 -36.454 21.285 -2.593 1.00 0.00 C ATOM 445 O HIS B 10 -36.872 20.411 -1.819 1.00 0.00 O ATOM 446 CB HIS B 10 -38.159 22.985 -2.809 1.00 0.00 C ATOM 447 CG HIS B 10 -38.865 23.317 -1.558 1.00 0.00 C ATOM 448 ND1 HIS B 10 -39.887 22.755 -0.816 1.00 0.00 N ATOM 449 CD2 HIS B 10 -38.293 24.351 -0.937 1.00 0.00 C ATOM 450 CE1 HIS B 10 -39.893 23.505 0.308 1.00 0.00 C ATOM 451 NE2 HIS B 10 -38.950 24.473 0.258 1.00 0.00 N ATOM 0 H HIS B 10 -36.396 23.359 -4.499 1.00 0.00 H new ATOM 0 HA HIS B 10 -36.215 22.958 -1.629 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -38.286 23.797 -3.525 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -38.604 22.095 -3.253 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -37.481 24.963 -1.301 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -40.565 23.351 1.140 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -38.762 25.168 0.980 1.00 0.00 H new ATOM 459 N LEU B 11 -35.660 21.230 -3.584 1.00 0.00 N ATOM 460 CA LEU B 11 -34.261 20.922 -3.564 1.00 0.00 C ATOM 461 C LEU B 11 -33.114 21.806 -3.938 1.00 0.00 C ATOM 462 O LEU B 11 -32.150 21.473 -4.609 1.00 0.00 O ATOM 463 CB LEU B 11 -34.309 19.570 -4.271 1.00 0.00 C ATOM 464 CG LEU B 11 -34.850 19.569 -5.726 1.00 0.00 C ATOM 465 CD1 LEU B 11 -36.369 19.479 -5.815 1.00 0.00 C ATOM 466 CD2 LEU B 11 -34.589 20.856 -6.514 1.00 0.00 C ATOM 0 H LEU B 11 -35.990 21.415 -4.531 1.00 0.00 H new ATOM 0 HA LEU B 11 -33.920 21.035 -2.535 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -33.301 19.154 -4.281 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -34.926 18.896 -3.677 1.00 0.00 H new ATOM 0 HG LEU B 11 -34.322 18.705 -6.129 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -36.673 19.483 -6.862 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -36.707 18.557 -5.343 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -36.815 20.333 -5.304 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -35.004 20.759 -7.517 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -35.062 21.696 -6.006 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -33.515 21.030 -6.581 1.00 0.00 H new ATOM 478 N VAL B 12 -33.107 22.815 -3.101 1.00 0.00 N ATOM 479 CA VAL B 12 -32.042 23.430 -2.304 1.00 0.00 C ATOM 480 C VAL B 12 -32.349 23.472 -0.878 1.00 0.00 C ATOM 481 O VAL B 12 -31.494 23.624 -0.049 1.00 0.00 O ATOM 482 CB VAL B 12 -31.952 24.846 -2.778 1.00 0.00 C ATOM 483 CG1 VAL B 12 -31.892 25.990 -1.781 1.00 0.00 C ATOM 484 CG2 VAL B 12 -31.741 24.967 -4.252 1.00 0.00 C ATOM 0 H VAL B 12 -33.983 23.308 -2.930 1.00 0.00 H new ATOM 0 HA VAL B 12 -31.127 22.850 -2.426 1.00 0.00 H new ATOM 0 HB VAL B 12 -32.747 25.586 -2.690 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -31.830 26.937 -2.317 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -32.790 25.981 -1.163 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -31.013 25.874 -1.146 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -31.685 26.020 -4.526 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -30.811 24.470 -4.528 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -32.573 24.499 -4.778 1.00 0.00 H new ATOM 494 N GLU B 13 -33.597 23.296 -0.611 1.00 0.00 N ATOM 495 CA GLU B 13 -34.110 22.939 0.677 1.00 0.00 C ATOM 496 C GLU B 13 -34.956 21.702 0.840 1.00 0.00 C ATOM 497 O GLU B 13 -35.714 21.408 1.771 1.00 0.00 O ATOM 498 CB GLU B 13 -35.044 24.063 1.024 1.00 0.00 C ATOM 499 CG GLU B 13 -34.572 25.513 0.921 1.00 0.00 C ATOM 500 CD GLU B 13 -35.601 26.533 1.427 1.00 0.00 C ATOM 501 OE1 GLU B 13 -36.780 26.265 1.685 1.00 0.00 O ATOM 502 OE2 GLU B 13 -35.112 27.796 1.572 1.00 0.00 O ATOM 0 H GLU B 13 -34.327 23.401 -1.316 1.00 0.00 H new ATOM 0 HA GLU B 13 -33.222 22.748 1.280 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -35.922 23.963 0.386 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -35.376 23.903 2.050 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -33.650 25.627 1.491 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -34.334 25.736 -0.119 1.00 0.00 H new ATOM 510 N ALA B 14 -34.656 20.965 -0.145 1.00 0.00 N ATOM 511 CA ALA B 14 -33.977 19.739 0.230 1.00 0.00 C ATOM 512 C ALA B 14 -32.511 19.832 0.492 1.00 0.00 C ATOM 513 O ALA B 14 -31.996 19.128 1.339 1.00 0.00 O ATOM 514 CB ALA B 14 -34.142 18.834 -0.949 1.00 0.00 C ATOM 0 H ALA B 14 -34.834 21.135 -1.135 1.00 0.00 H new ATOM 0 HA ALA B 14 -34.414 19.412 1.173 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -33.655 17.880 -0.747 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -35.203 18.667 -1.134 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -33.689 19.294 -1.827 1.00 0.00 H new ATOM 520 N LEU B 15 -31.818 20.575 -0.325 1.00 0.00 N ATOM 521 CA LEU B 15 -30.463 20.188 -0.530 1.00 0.00 C ATOM 522 C LEU B 15 -29.660 20.630 0.707 1.00 0.00 C ATOM 523 O LEU B 15 -28.851 19.915 1.303 1.00 0.00 O ATOM 524 CB LEU B 15 -30.105 20.427 -2.026 1.00 0.00 C ATOM 525 CG LEU B 15 -28.839 21.225 -2.339 1.00 0.00 C ATOM 526 CD1 LEU B 15 -28.902 22.613 -1.709 1.00 0.00 C ATOM 527 CD2 LEU B 15 -27.798 20.441 -1.606 1.00 0.00 C ATOM 0 H LEU B 15 -32.146 21.399 -0.828 1.00 0.00 H new ATOM 0 HA LEU B 15 -30.168 19.139 -0.510 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -30.015 19.454 -2.508 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -30.947 20.938 -2.494 1.00 0.00 H new ATOM 0 HG LEU B 15 -28.672 21.357 -3.408 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -27.990 23.162 -1.946 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -29.763 23.153 -2.103 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -28.998 22.518 -0.627 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -26.824 20.909 -1.747 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -28.040 20.419 -0.543 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -27.770 19.422 -1.993 1.00 0.00 H new ATOM 539 N TYR B 16 -30.036 21.770 1.217 1.00 0.00 N ATOM 540 CA TYR B 16 -29.610 22.327 2.514 1.00 0.00 C ATOM 541 C TYR B 16 -29.653 21.394 3.678 1.00 0.00 C ATOM 542 O TYR B 16 -28.909 21.380 4.645 1.00 0.00 O ATOM 543 CB TYR B 16 -30.605 23.397 2.763 1.00 0.00 C ATOM 544 CG TYR B 16 -30.327 24.625 3.621 1.00 0.00 C ATOM 545 CD1 TYR B 16 -31.084 25.620 3.010 1.00 0.00 C ATOM 546 CD2 TYR B 16 -28.965 24.811 3.729 1.00 0.00 C ATOM 547 CE1 TYR B 16 -30.514 26.066 1.796 1.00 0.00 C ATOM 548 CE2 TYR B 16 -28.354 25.327 2.574 1.00 0.00 C ATOM 549 CZ TYR B 16 -29.114 26.020 1.603 1.00 0.00 C ATOM 550 OH TYR B 16 -28.569 26.282 0.373 1.00 0.00 O ATOM 0 H TYR B 16 -30.685 22.386 0.727 1.00 0.00 H new ATOM 0 HA TYR B 16 -28.564 22.624 2.442 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -30.906 23.769 1.784 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -31.476 22.909 3.200 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -32.005 26.009 3.418 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -28.413 24.579 4.628 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -31.152 26.444 1.011 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -27.293 25.193 2.426 1.00 0.00 H new ATOM 0 HH TYR B 16 -27.593 26.206 0.425 1.00 0.00 H new ATOM 560 N LEU B 17 -30.692 20.634 3.523 1.00 0.00 N ATOM 561 CA LEU B 17 -31.270 19.730 4.467 1.00 0.00 C ATOM 562 C LEU B 17 -30.653 18.337 4.474 1.00 0.00 C ATOM 563 O LEU B 17 -30.865 17.504 5.354 1.00 0.00 O ATOM 564 CB LEU B 17 -32.763 19.943 4.238 1.00 0.00 C ATOM 565 CG LEU B 17 -33.281 21.369 4.512 1.00 0.00 C ATOM 566 CD1 LEU B 17 -34.800 21.367 4.694 1.00 0.00 C ATOM 567 CD2 LEU B 17 -32.706 22.087 5.737 1.00 0.00 C ATOM 0 H LEU B 17 -31.208 20.632 2.643 1.00 0.00 H new ATOM 0 HA LEU B 17 -31.049 19.915 5.518 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -32.995 19.684 3.205 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -33.313 19.248 4.872 1.00 0.00 H new ATOM 0 HG LEU B 17 -32.946 21.914 3.630 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -35.145 22.383 4.886 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -35.274 20.988 3.789 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -35.065 20.728 5.537 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -33.150 23.079 5.819 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -32.933 21.513 6.635 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -31.625 22.181 5.630 1.00 0.00 H new ATOM 579 N VAL B 18 -29.805 18.183 3.481 1.00 0.00 N ATOM 580 CA VAL B 18 -29.169 16.949 3.059 1.00 0.00 C ATOM 581 C VAL B 18 -27.667 16.970 3.171 1.00 0.00 C ATOM 582 O VAL B 18 -26.988 16.180 3.844 1.00 0.00 O ATOM 583 CB VAL B 18 -29.701 16.780 1.630 1.00 0.00 C ATOM 584 CG1 VAL B 18 -28.863 16.019 0.669 1.00 0.00 C ATOM 585 CG2 VAL B 18 -31.112 16.360 1.728 1.00 0.00 C ATOM 0 H VAL B 18 -29.519 18.974 2.903 1.00 0.00 H new ATOM 0 HA VAL B 18 -29.408 16.099 3.697 1.00 0.00 H new ATOM 0 HB VAL B 18 -29.637 17.749 1.135 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -29.363 15.980 -0.299 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -27.897 16.512 0.559 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -28.713 15.005 1.041 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -31.523 16.230 0.727 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -31.174 15.417 2.271 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -31.683 17.122 2.259 1.00 0.00 H new ATOM 595 N CYS B 19 -27.241 17.918 2.393 1.00 0.00 N ATOM 596 CA CYS B 19 -25.874 18.246 2.031 1.00 0.00 C ATOM 597 C CYS B 19 -25.227 19.107 3.122 1.00 0.00 C ATOM 598 O CYS B 19 -24.078 18.928 3.539 1.00 0.00 O ATOM 599 CB CYS B 19 -26.051 18.965 0.695 1.00 0.00 C ATOM 600 SG CYS B 19 -24.644 18.859 -0.458 1.00 0.00 S ATOM 0 H CYS B 19 -27.902 18.552 1.944 1.00 0.00 H new ATOM 0 HA CYS B 19 -25.202 17.393 1.940 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -26.933 18.559 0.200 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -26.254 20.017 0.895 1.00 0.00 H new ATOM 605 N GLY B 20 -26.115 19.894 3.712 1.00 0.00 N ATOM 606 CA GLY B 20 -26.233 19.886 5.196 1.00 0.00 C ATOM 607 C GLY B 20 -25.714 21.132 5.931 1.00 0.00 C ATOM 608 O GLY B 20 -26.198 22.255 5.769 1.00 0.00 O ATOM 0 H GLY B 20 -26.749 20.528 3.226 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -27.283 19.750 5.454 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -25.696 19.017 5.576 1.00 0.00 H new ATOM 612 N GLU B 21 -24.764 20.904 6.837 1.00 0.00 N ATOM 613 CA GLU B 21 -24.291 21.678 7.956 1.00 0.00 C ATOM 614 C GLU B 21 -23.724 23.056 7.661 1.00 0.00 C ATOM 615 O GLU B 21 -24.122 24.138 8.092 1.00 0.00 O ATOM 616 CB GLU B 21 -23.182 20.741 8.450 1.00 0.00 C ATOM 617 CG GLU B 21 -23.643 19.594 9.310 1.00 0.00 C ATOM 618 CD GLU B 21 -24.184 19.991 10.681 1.00 0.00 C ATOM 619 OE1 GLU B 21 -24.130 21.120 11.169 1.00 0.00 O ATOM 620 OE2 GLU B 21 -24.762 18.988 11.388 1.00 0.00 O ATOM 0 H GLU B 21 -24.236 20.033 6.780 1.00 0.00 H new ATOM 0 HA GLU B 21 -25.101 21.932 8.640 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -22.659 20.336 7.584 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -22.458 21.328 9.014 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -24.419 19.047 8.774 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -22.809 18.907 9.451 1.00 0.00 H new ATOM 628 N ARG B 22 -22.714 22.811 6.850 1.00 0.00 N ATOM 629 CA ARG B 22 -21.834 23.564 5.966 1.00 0.00 C ATOM 630 C ARG B 22 -22.418 24.845 5.364 1.00 0.00 C ATOM 631 O ARG B 22 -23.568 25.232 5.499 1.00 0.00 O ATOM 632 CB ARG B 22 -21.611 22.478 4.888 1.00 0.00 C ATOM 633 CG ARG B 22 -20.760 21.299 5.390 1.00 0.00 C ATOM 634 CD ARG B 22 -21.475 19.986 5.067 1.00 0.00 C ATOM 635 NE ARG B 22 -20.753 18.802 5.594 1.00 0.00 N ATOM 636 CZ ARG B 22 -21.106 17.545 5.476 1.00 0.00 C ATOM 637 NH1 ARG B 22 -22.167 17.207 4.809 1.00 0.00 N ATOM 638 NH2 ARG B 22 -20.363 16.597 5.995 1.00 0.00 N ATOM 0 H ARG B 22 -22.427 21.834 6.786 1.00 0.00 H new ATOM 0 HA ARG B 22 -20.955 23.964 6.471 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -22.578 22.104 4.552 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -21.124 22.928 4.022 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -19.778 21.317 4.918 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -20.598 21.384 6.465 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -22.481 20.011 5.487 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -21.583 19.891 3.987 1.00 0.00 H new ATOM 0 HE ARG B 22 -19.889 18.986 6.103 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -22.741 17.924 4.366 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -22.427 16.224 4.728 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -19.506 16.836 6.493 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -20.642 15.621 5.900 1.00 0.00 H new ATOM 652 N GLY B 23 -21.593 25.388 4.475 1.00 0.00 N ATOM 653 CA GLY B 23 -22.024 25.278 3.094 1.00 0.00 C ATOM 654 C GLY B 23 -22.751 26.380 2.354 1.00 0.00 C ATOM 655 O GLY B 23 -22.366 27.530 2.167 1.00 0.00 O ATOM 0 H GLY B 23 -20.709 25.863 4.658 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -21.131 25.055 2.511 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -22.666 24.399 3.042 1.00 0.00 H new ATOM 659 N PHE B 24 -23.796 25.788 1.841 1.00 0.00 N ATOM 660 CA PHE B 24 -23.935 25.353 0.441 1.00 0.00 C ATOM 661 C PHE B 24 -23.842 26.463 -0.573 1.00 0.00 C ATOM 662 O PHE B 24 -24.220 27.620 -0.358 1.00 0.00 O ATOM 663 CB PHE B 24 -25.063 24.327 0.342 1.00 0.00 C ATOM 664 CG PHE B 24 -24.499 22.917 0.465 1.00 0.00 C ATOM 665 CD1 PHE B 24 -23.778 22.784 1.642 1.00 0.00 C ATOM 666 CD2 PHE B 24 -25.590 22.079 0.371 1.00 0.00 C ATOM 667 CE1 PHE B 24 -24.554 22.800 2.791 1.00 0.00 C ATOM 668 CE2 PHE B 24 -26.487 22.347 1.396 1.00 0.00 C ATOM 669 CZ PHE B 24 -25.962 22.659 2.678 1.00 0.00 C ATOM 0 H PHE B 24 -24.623 25.577 2.399 1.00 0.00 H new ATOM 0 HA PHE B 24 -23.050 24.805 0.118 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -25.796 24.504 1.129 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -25.583 24.437 -0.609 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -22.703 22.677 1.662 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -25.727 21.324 -0.389 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -24.093 22.918 3.760 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -27.553 22.319 1.224 1.00 0.00 H new ATOM 0 HZ PHE B 24 -26.609 22.784 3.534 1.00 0.00 H new ATOM 679 N PHE B 25 -23.216 26.095 -1.700 1.00 0.00 N ATOM 680 CA PHE B 25 -22.468 26.804 -2.641 1.00 0.00 C ATOM 681 C PHE B 25 -23.031 28.145 -3.029 1.00 0.00 C ATOM 682 O PHE B 25 -22.477 29.251 -2.917 1.00 0.00 O ATOM 683 CB PHE B 25 -22.482 25.725 -3.768 1.00 0.00 C ATOM 684 CG PHE B 25 -21.612 26.078 -4.852 1.00 0.00 C ATOM 685 CD1 PHE B 25 -20.370 26.314 -4.294 1.00 0.00 C ATOM 686 CD2 PHE B 25 -22.243 26.939 -5.756 1.00 0.00 C ATOM 687 CE1 PHE B 25 -20.011 27.651 -4.295 1.00 0.00 C ATOM 688 CE2 PHE B 25 -21.659 28.188 -5.980 1.00 0.00 C ATOM 689 CZ PHE B 25 -20.552 28.590 -5.211 1.00 0.00 C ATOM 0 H PHE B 25 -23.259 25.114 -1.978 1.00 0.00 H new ATOM 0 HA PHE B 25 -21.483 27.135 -2.313 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -22.177 24.764 -3.355 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -23.498 25.603 -4.142 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -19.741 25.532 -3.896 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -23.151 26.648 -6.264 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -19.289 27.994 -3.568 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -22.056 28.843 -6.741 1.00 0.00 H new ATOM 0 HZ PHE B 25 -20.129 29.578 -5.314 1.00 0.00 H new ATOM 699 N TYR B 26 -24.179 27.819 -3.509 1.00 0.00 N ATOM 700 CA TYR B 26 -24.995 28.426 -4.568 1.00 0.00 C ATOM 701 C TYR B 26 -24.856 29.864 -5.069 1.00 0.00 C ATOM 702 O TYR B 26 -24.126 30.750 -4.625 1.00 0.00 O ATOM 703 CB TYR B 26 -26.445 28.064 -4.329 1.00 0.00 C ATOM 704 CG TYR B 26 -27.383 27.512 -5.382 1.00 0.00 C ATOM 705 CD1 TYR B 26 -26.737 26.576 -6.170 1.00 0.00 C ATOM 706 CD2 TYR B 26 -28.475 26.994 -4.687 1.00 0.00 C ATOM 707 CE1 TYR B 26 -26.285 25.533 -5.372 1.00 0.00 C ATOM 708 CE2 TYR B 26 -28.393 25.657 -4.236 1.00 0.00 C ATOM 709 CZ TYR B 26 -27.181 24.956 -4.452 1.00 0.00 C ATOM 710 OH TYR B 26 -26.746 24.017 -3.554 1.00 0.00 O ATOM 0 H TYR B 26 -24.659 27.003 -3.128 1.00 0.00 H new ATOM 0 HA TYR B 26 -24.507 27.975 -5.432 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -26.443 27.336 -3.517 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -26.921 28.967 -3.946 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -26.605 26.646 -7.240 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -29.353 27.594 -4.500 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -25.270 25.173 -5.455 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -29.229 25.184 -3.742 1.00 0.00 H new ATOM 0 HH TYR B 26 -26.524 24.454 -2.705 1.00 0.00 H new ATOM 720 N THR B 27 -25.647 29.978 -6.121 1.00 0.00 N ATOM 721 CA THR B 27 -25.453 30.750 -7.304 1.00 0.00 C ATOM 722 C THR B 27 -26.542 31.811 -7.568 1.00 0.00 C ATOM 723 O THR B 27 -27.689 31.645 -7.139 1.00 0.00 O ATOM 724 CB THR B 27 -25.526 29.673 -8.400 1.00 0.00 C ATOM 725 OG1 THR B 27 -26.698 28.878 -8.300 1.00 0.00 O ATOM 726 CG2 THR B 27 -24.317 28.716 -8.294 1.00 0.00 C ATOM 0 H THR B 27 -26.532 29.472 -6.156 1.00 0.00 H new ATOM 0 HA THR B 27 -24.529 31.326 -7.248 1.00 0.00 H new ATOM 0 HB THR B 27 -25.531 30.207 -9.350 1.00 0.00 H new ATOM 0 HG1 THR B 27 -26.614 28.265 -7.540 1.00 0.00 H new ATOM 0 HG21 THR B 27 -24.382 27.959 -9.076 1.00 0.00 H new ATOM 0 HG22 THR B 27 -23.393 29.282 -8.413 1.00 0.00 H new ATOM 0 HG23 THR B 27 -24.322 28.231 -7.318 1.00 0.00 H new ATOM 734 N PRO B 28 -26.233 32.907 -8.275 1.00 0.00 N ATOM 735 CA PRO B 28 -27.183 33.972 -8.608 1.00 0.00 C ATOM 736 C PRO B 28 -28.241 33.519 -9.625 1.00 0.00 C ATOM 737 O PRO B 28 -27.926 32.893 -10.646 1.00 0.00 O ATOM 738 CB PRO B 28 -26.338 35.137 -9.131 1.00 0.00 C ATOM 739 CG PRO B 28 -25.119 34.429 -9.734 1.00 0.00 C ATOM 740 CD PRO B 28 -24.911 33.270 -8.762 1.00 0.00 C ATOM 0 HA PRO B 28 -27.760 34.266 -7.731 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -26.875 35.723 -9.877 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -26.054 35.821 -8.332 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -25.310 34.081 -10.749 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -24.249 35.084 -9.780 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -24.434 32.426 -9.259 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -24.260 33.564 -7.939 1.00 0.00 H new ATOM 748 N LYS B 29 -29.522 33.858 -9.378 1.00 0.00 N ATOM 749 CA LYS B 29 -30.634 33.739 -10.329 1.00 0.00 C ATOM 750 C LYS B 29 -30.834 35.065 -11.086 1.00 0.00 C ATOM 751 O LYS B 29 -30.648 36.153 -10.526 1.00 0.00 O ATOM 752 CB LYS B 29 -31.936 33.313 -9.648 1.00 0.00 C ATOM 753 CG LYS B 29 -31.894 31.909 -9.020 1.00 0.00 C ATOM 754 CD LYS B 29 -33.204 31.558 -8.312 1.00 0.00 C ATOM 755 CE LYS B 29 -33.156 30.158 -7.682 1.00 0.00 C ATOM 756 NZ LYS B 29 -34.489 29.764 -7.149 1.00 0.00 N ATOM 0 H LYS B 29 -29.816 34.235 -8.477 1.00 0.00 H new ATOM 0 HA LYS B 29 -30.370 32.955 -11.039 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -32.180 34.038 -8.872 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -32.743 33.346 -10.380 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -31.692 31.171 -9.796 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -31.071 31.855 -8.307 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -33.408 32.298 -7.538 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -34.027 31.607 -9.025 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -32.830 29.432 -8.426 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -32.420 30.143 -6.878 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -34.406 28.861 -6.640 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -34.833 30.498 -6.498 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -35.160 29.658 -7.936 1.00 0.00 H new ATOM 770 N ALA B 30 -31.277 34.958 -12.348 1.00 0.00 N ATOM 771 CA ALA B 30 -31.614 36.085 -13.244 1.00 0.00 C ATOM 772 C ALA B 30 -32.761 35.759 -14.227 1.00 0.00 C ATOM 773 O ALA B 30 -32.861 34.591 -14.670 1.00 0.00 O ATOM 774 CB ALA B 30 -30.343 36.525 -13.970 1.00 0.00 C ATOM 775 OXT ALA B 30 -33.578 36.669 -14.515 1.00 0.00 O ATOM 0 H ALA B 30 -31.417 34.051 -12.793 1.00 0.00 H new ATOM 0 HA ALA B 30 -31.995 36.907 -12.638 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -30.574 37.357 -14.636 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -29.598 36.841 -13.240 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -29.950 35.692 -14.553 1.00 0.00 H new TER 781 ALA B 30