USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 374 hydrogens (15 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 NoAdj-H: B 26 NVA HD1 : B 26 NVA CD : B 29 HIX NE2 :(H bumps) USER MOD NoAdj-H: B 26 NVA H2 : B 26 NVA N : B 25 PHE C :(H bumps) USER MOD NoAdj-H: B 26 NVA H : B 26 NVA N : B 25 PHE C :(H bumps) USER MOD Set 1.1: A 8 THR OG1 : rot -71:sc= 1.25 USER MOD Set 1.2: A 9 SER OG : rot -0:sc= 0.437 USER MOD Set 2.1: A 1 GLY N :NH3+ -145:sc= 1.38 (180deg=-0.0528) USER MOD Set 2.2: A 5 GLN : amide:sc= 0.284 K(o=1.7,f=-0.64) USER MOD Single : A 12 SER OG : rot 70:sc= 0.296 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.412 X(o=-0.41,f=0) USER MOD Single : A 18 ASN : amide:sc= 0.0121 X(o=0.012,f=0) USER MOD Single : A 19 TYR OH : rot 100:sc= -0.132 USER MOD Single : A 21 ASN : amide:sc= -0.303 X(o=-0.3,f=-0.01) USER MOD Single : B 1 PHE N :NH3+ 148:sc= 0.018 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.0425 K(o=-0.043,f=-2.3) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : B 5 HIS : no HD1:sc= -0.609 K(o=-0.61,f=-2.4) USER MOD Single : B 9 SER OG : rot 180:sc= 0.00239 USER MOD Single : B 10 HIS : no HD1:sc= -0.0363 X(o=-0.036,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0.0108 USER MOD Single : B 30 THR OG1 : rot 68:sc= 0.237 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.151 -2.246 -0.667 1.00 25.00 N ATOM 2 CA GLY A 1 0.968 -2.075 -1.637 1.00 25.00 C ATOM 3 C GLY A 1 0.552 -2.485 -3.018 1.00 25.00 C ATOM 4 O GLY A 1 -0.446 -3.165 -3.176 1.00 25.00 O ATOM 0 H1 GLY A 1 -0.111 -1.490 0.046 1.00 25.00 H new ATOM 0 H2 GLY A 1 -1.059 -2.199 -1.172 1.00 25.00 H new ATOM 0 H3 GLY A 1 -0.065 -3.170 -0.197 1.00 25.00 H new ATOM 0 HA2 GLY A 1 1.291 -1.034 -1.645 1.00 25.00 H new ATOM 0 HA3 GLY A 1 1.823 -2.671 -1.319 1.00 25.00 H new ATOM 10 N ILE A 2 1.301 -2.073 -4.028 1.00 25.00 N ATOM 11 CA ILE A 2 0.916 -2.286 -5.430 1.00 25.00 C ATOM 12 C ILE A 2 0.711 -3.772 -5.801 1.00 25.00 C ATOM 13 O ILE A 2 -0.136 -4.093 -6.618 1.00 25.00 O ATOM 14 CB ILE A 2 1.967 -1.582 -6.378 1.00 25.00 C ATOM 15 CG1 ILE A 2 1.387 -1.458 -7.805 1.00 25.00 C ATOM 16 CG2 ILE A 2 3.349 -2.326 -6.344 1.00 25.00 C ATOM 17 CD1 ILE A 2 2.246 -0.615 -8.757 1.00 25.00 C ATOM 0 H ILE A 2 2.188 -1.584 -3.910 1.00 25.00 H new ATOM 0 HA ILE A 2 -0.063 -1.828 -5.571 1.00 25.00 H new ATOM 0 HB ILE A 2 2.159 -0.573 -6.015 1.00 25.00 H new ATOM 0 HG12 ILE A 2 1.269 -2.456 -8.226 1.00 25.00 H new ATOM 0 HG13 ILE A 2 0.392 -1.018 -7.745 1.00 25.00 H new ATOM 0 HG21 ILE A 2 4.051 -1.819 -7.006 1.00 25.00 H new ATOM 0 HG22 ILE A 2 3.740 -2.321 -5.327 1.00 25.00 H new ATOM 0 HG23 ILE A 2 3.216 -3.356 -6.676 1.00 25.00 H new ATOM 0 HD11 ILE A 2 1.771 -0.576 -9.737 1.00 25.00 H new ATOM 0 HD12 ILE A 2 2.343 0.396 -8.361 1.00 25.00 H new ATOM 0 HD13 ILE A 2 3.234 -1.065 -8.850 1.00 25.00 H new ATOM 29 N VAL A 3 1.428 -4.681 -5.155 1.00 25.00 N ATOM 30 CA VAL A 3 1.282 -6.114 -5.432 1.00 25.00 C ATOM 31 C VAL A 3 -0.060 -6.590 -4.892 1.00 25.00 C ATOM 32 O VAL A 3 -0.841 -7.252 -5.573 1.00 25.00 O ATOM 33 CB VAL A 3 2.443 -6.930 -4.776 1.00 25.00 C ATOM 34 CG1 VAL A 3 2.383 -8.403 -5.236 1.00 25.00 C ATOM 35 CG2 VAL A 3 3.817 -6.310 -5.141 1.00 25.00 C ATOM 0 H VAL A 3 2.117 -4.458 -4.436 1.00 25.00 H new ATOM 0 HA VAL A 3 1.326 -6.273 -6.509 1.00 25.00 H new ATOM 0 HB VAL A 3 2.324 -6.893 -3.693 1.00 25.00 H new ATOM 0 HG11 VAL A 3 3.196 -8.962 -4.773 1.00 25.00 H new ATOM 0 HG12 VAL A 3 1.429 -8.838 -4.940 1.00 25.00 H new ATOM 0 HG13 VAL A 3 2.482 -8.450 -6.320 1.00 25.00 H new ATOM 0 HG21 VAL A 3 4.613 -6.891 -4.676 1.00 25.00 H new ATOM 0 HG22 VAL A 3 3.945 -6.321 -6.223 1.00 25.00 H new ATOM 0 HG23 VAL A 3 3.860 -5.282 -4.781 1.00 25.00 H new ATOM 45 N GLU A 4 -0.357 -6.209 -3.662 1.00 25.00 N ATOM 46 CA GLU A 4 -1.602 -6.612 -3.006 1.00 25.00 C ATOM 47 C GLU A 4 -2.777 -5.958 -3.717 1.00 25.00 C ATOM 48 O GLU A 4 -3.847 -6.528 -3.799 1.00 25.00 O ATOM 49 CB GLU A 4 -1.591 -6.220 -1.520 1.00 25.00 C ATOM 50 CG GLU A 4 -0.317 -6.633 -0.790 1.00 25.00 C ATOM 51 CD GLU A 4 0.680 -5.482 -0.687 1.00 25.00 C ATOM 52 OE1 GLU A 4 1.392 -5.213 -1.683 1.00 25.00 O ATOM 53 OE2 GLU A 4 0.647 -4.750 0.324 1.00 25.00 O ATOM 0 H GLU A 4 0.246 -5.618 -3.090 1.00 25.00 H new ATOM 0 HA GLU A 4 -1.698 -7.696 -3.064 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -1.714 -5.140 -1.437 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -2.448 -6.678 -1.026 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -0.570 -6.985 0.210 1.00 25.00 H new ATOM 0 HG3 GLU A 4 0.147 -7.469 -1.314 1.00 25.00 H new ATOM 60 N GLN A 5 -2.559 -4.778 -4.274 1.00 25.00 N ATOM 61 CA GLN A 5 -3.601 -4.101 -5.059 1.00 25.00 C ATOM 62 C GLN A 5 -3.844 -4.829 -6.382 1.00 25.00 C ATOM 63 O GLN A 5 -4.973 -4.964 -6.819 1.00 25.00 O ATOM 64 CB GLN A 5 -3.211 -2.634 -5.313 1.00 25.00 C ATOM 65 CG GLN A 5 -3.927 -1.635 -4.389 1.00 25.00 C ATOM 66 CD GLN A 5 -3.613 -1.847 -2.916 1.00 25.00 C ATOM 67 OE1 GLN A 5 -2.566 -1.436 -2.419 1.00 25.00 O ATOM 68 NE2 GLN A 5 -4.527 -2.459 -2.210 1.00 25.00 N ATOM 0 H GLN A 5 -1.680 -4.265 -4.203 1.00 25.00 H new ATOM 0 HA GLN A 5 -4.528 -4.120 -4.487 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -2.134 -2.526 -5.185 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -3.435 -2.382 -6.349 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -3.643 -0.621 -4.672 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -5.003 -1.718 -4.540 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -5.383 -2.786 -2.658 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -4.384 -2.610 -1.211 1.00 25.00 H new ATOM 77 N CYS A 6 -2.779 -5.309 -7.001 1.00 25.00 N ATOM 78 CA CYS A 6 -2.891 -6.060 -8.250 1.00 25.00 C ATOM 79 C CYS A 6 -3.693 -7.345 -7.998 1.00 25.00 C ATOM 80 O CYS A 6 -4.536 -7.751 -8.813 1.00 25.00 O ATOM 81 CB CYS A 6 -1.498 -6.413 -8.777 1.00 25.00 C ATOM 82 SG CYS A 6 -1.477 -7.223 -10.409 1.00 25.00 S ATOM 0 H CYS A 6 -1.824 -5.194 -6.662 1.00 25.00 H new ATOM 0 HA CYS A 6 -3.403 -5.449 -8.994 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -0.905 -5.500 -8.833 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -1.008 -7.068 -8.056 1.00 25.00 H new ATOM 87 N CYS A 7 -3.481 -7.938 -6.825 1.00 25.00 N ATOM 88 CA CYS A 7 -4.247 -9.117 -6.406 1.00 25.00 C ATOM 89 C CYS A 7 -5.707 -8.783 -6.019 1.00 25.00 C ATOM 90 O CYS A 7 -6.651 -9.188 -6.679 1.00 25.00 O ATOM 91 CB CYS A 7 -3.545 -9.771 -5.199 1.00 25.00 C ATOM 92 SG CYS A 7 -1.854 -10.360 -5.557 1.00 25.00 S ATOM 0 H CYS A 7 -2.787 -7.624 -6.146 1.00 25.00 H new ATOM 0 HA CYS A 7 -4.285 -9.796 -7.258 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -3.503 -9.051 -4.382 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -4.146 -10.612 -4.853 1.00 25.00 H new ATOM 97 N THR A 8 -5.889 -8.084 -4.913 1.00 25.00 N ATOM 98 CA THR A 8 -7.215 -7.849 -4.314 1.00 25.00 C ATOM 99 C THR A 8 -8.122 -6.897 -5.103 1.00 25.00 C ATOM 100 O THR A 8 -9.148 -6.450 -4.587 1.00 25.00 O ATOM 101 CB THR A 8 -7.065 -7.247 -2.891 1.00 25.00 C ATOM 102 OG1 THR A 8 -6.359 -5.998 -2.960 1.00 25.00 O ATOM 103 CG2 THR A 8 -6.267 -8.193 -1.975 1.00 25.00 C ATOM 0 H THR A 8 -5.124 -7.656 -4.393 1.00 25.00 H new ATOM 0 HA THR A 8 -7.684 -8.833 -4.309 1.00 25.00 H new ATOM 0 HB THR A 8 -8.066 -7.102 -2.486 1.00 25.00 H new ATOM 0 HG1 THR A 8 -5.416 -6.166 -3.168 1.00 25.00 H new ATOM 0 HG21 THR A 8 -6.176 -7.749 -0.984 1.00 25.00 H new ATOM 0 HG22 THR A 8 -6.786 -9.148 -1.898 1.00 25.00 H new ATOM 0 HG23 THR A 8 -5.273 -8.353 -2.394 1.00 25.00 H new ATOM 111 N SER A 9 -7.735 -6.567 -6.319 1.00 25.00 N ATOM 112 CA SER A 9 -8.484 -5.600 -7.125 1.00 25.00 C ATOM 113 C SER A 9 -8.106 -5.781 -8.578 1.00 25.00 C ATOM 114 O SER A 9 -7.290 -6.622 -8.913 1.00 25.00 O ATOM 115 CB SER A 9 -8.184 -4.155 -6.693 1.00 25.00 C ATOM 116 OG SER A 9 -8.565 -3.919 -5.346 1.00 25.00 O ATOM 0 H SER A 9 -6.908 -6.949 -6.778 1.00 25.00 H new ATOM 0 HA SER A 9 -9.550 -5.778 -6.981 1.00 25.00 H new ATOM 0 HB2 SER A 9 -7.119 -3.954 -6.810 1.00 25.00 H new ATOM 0 HB3 SER A 9 -8.713 -3.462 -7.347 1.00 25.00 H new ATOM 0 HG SER A 9 -8.949 -4.737 -4.966 1.00 25.00 H new ATOM 122 N ILE A 10 -8.691 -4.969 -9.445 1.00 25.00 N ATOM 123 CA ILE A 10 -8.345 -5.015 -10.859 1.00 25.00 C ATOM 124 C ILE A 10 -6.945 -4.432 -11.005 1.00 25.00 C ATOM 125 O ILE A 10 -6.716 -3.268 -10.672 1.00 25.00 O ATOM 126 CB ILE A 10 -9.360 -4.196 -11.715 1.00 25.00 C ATOM 127 CG1 ILE A 10 -10.775 -4.796 -11.608 1.00 25.00 C ATOM 128 CG2 ILE A 10 -8.908 -4.125 -13.184 1.00 25.00 C ATOM 129 CD1 ILE A 10 -10.954 -6.183 -12.260 1.00 25.00 C ATOM 0 H ILE A 10 -9.400 -4.278 -9.200 1.00 25.00 H new ATOM 0 HA ILE A 10 -8.379 -6.044 -11.217 1.00 25.00 H new ATOM 0 HB ILE A 10 -9.390 -3.180 -11.321 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -11.041 -4.871 -10.554 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -11.481 -4.103 -12.066 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -9.632 -3.549 -13.760 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -7.932 -3.643 -13.242 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -8.839 -5.133 -13.593 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -11.984 -6.516 -12.130 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -10.726 -6.117 -13.324 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -10.279 -6.897 -11.788 1.00 25.00 H new ATOM 141 N CYS A 11 -6.012 -5.243 -11.486 1.00 25.00 N ATOM 142 CA CYS A 11 -4.603 -4.841 -11.556 1.00 25.00 C ATOM 143 C CYS A 11 -4.389 -3.630 -12.461 1.00 25.00 C ATOM 144 O CYS A 11 -3.609 -2.756 -12.129 1.00 25.00 O ATOM 145 CB CYS A 11 -3.748 -6.017 -12.024 1.00 25.00 C ATOM 146 SG CYS A 11 -1.964 -5.767 -11.731 1.00 25.00 S ATOM 0 H CYS A 11 -6.200 -6.183 -11.834 1.00 25.00 H new ATOM 0 HA CYS A 11 -4.296 -4.545 -10.553 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -4.071 -6.921 -11.509 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -3.916 -6.180 -13.089 1.00 25.00 H new ATOM 151 N SER A 12 -5.160 -3.562 -13.545 1.00 25.00 N ATOM 152 CA SER A 12 -5.173 -2.431 -14.503 1.00 25.00 C ATOM 153 C SER A 12 -3.865 -2.229 -15.291 1.00 25.00 C ATOM 154 O SER A 12 -2.784 -2.201 -14.738 1.00 25.00 O ATOM 155 CB SER A 12 -5.549 -1.120 -13.793 1.00 25.00 C ATOM 156 OG SER A 12 -6.700 -1.325 -12.993 1.00 25.00 O ATOM 0 H SER A 12 -5.813 -4.304 -13.798 1.00 25.00 H new ATOM 0 HA SER A 12 -5.930 -2.703 -15.239 1.00 25.00 H new ATOM 0 HB2 SER A 12 -4.719 -0.779 -13.173 1.00 25.00 H new ATOM 0 HB3 SER A 12 -5.740 -0.338 -14.528 1.00 25.00 H new ATOM 0 HG SER A 12 -6.469 -1.890 -12.226 1.00 25.00 H new ATOM 162 N LEU A 13 -3.995 -2.089 -16.605 1.00 25.00 N ATOM 163 CA LEU A 13 -2.840 -1.973 -17.516 1.00 25.00 C ATOM 164 C LEU A 13 -1.794 -0.919 -17.126 1.00 25.00 C ATOM 165 O LEU A 13 -0.617 -1.180 -17.182 1.00 25.00 O ATOM 166 CB LEU A 13 -3.364 -1.674 -18.926 1.00 25.00 C ATOM 167 CG LEU A 13 -2.294 -1.503 -20.031 1.00 25.00 C ATOM 168 CD1 LEU A 13 -1.455 -2.760 -20.238 1.00 25.00 C ATOM 169 CD2 LEU A 13 -2.989 -1.130 -21.334 1.00 25.00 C ATOM 0 H LEU A 13 -4.898 -2.052 -17.078 1.00 25.00 H new ATOM 0 HA LEU A 13 -2.314 -2.926 -17.459 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -4.035 -2.481 -19.221 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -3.961 -0.763 -18.884 1.00 25.00 H new ATOM 0 HG LEU A 13 -1.611 -0.715 -19.714 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -0.721 -2.582 -21.024 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -0.940 -3.010 -19.311 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -2.104 -3.587 -20.527 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -2.245 -1.007 -22.121 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -3.686 -1.920 -21.614 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -3.535 -0.196 -21.201 1.00 25.00 H new ATOM 181 N TYR A 14 -2.214 0.279 -16.760 1.00 25.00 N ATOM 182 CA TYR A 14 -1.265 1.356 -16.495 1.00 25.00 C ATOM 183 C TYR A 14 -0.626 1.223 -15.113 1.00 25.00 C ATOM 184 O TYR A 14 0.534 1.546 -14.913 1.00 25.00 O ATOM 185 CB TYR A 14 -1.966 2.711 -16.639 1.00 25.00 C ATOM 186 CG TYR A 14 -3.377 2.707 -16.122 1.00 25.00 C ATOM 187 CD1 TYR A 14 -3.660 3.002 -14.770 1.00 25.00 C ATOM 188 CD2 TYR A 14 -4.463 2.408 -16.977 1.00 25.00 C ATOM 189 CE1 TYR A 14 -4.984 2.979 -14.273 1.00 25.00 C ATOM 190 CE2 TYR A 14 -5.794 2.387 -16.486 1.00 25.00 C ATOM 191 CZ TYR A 14 -6.042 2.668 -15.142 1.00 25.00 C ATOM 192 OH TYR A 14 -7.328 2.649 -14.680 1.00 25.00 O ATOM 0 H TYR A 14 -3.194 0.533 -16.639 1.00 25.00 H new ATOM 0 HA TYR A 14 -0.461 1.287 -17.228 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -1.392 3.468 -16.104 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -1.972 2.999 -17.690 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -2.849 3.250 -14.102 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -4.277 2.193 -18.019 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -5.179 3.199 -13.234 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -6.613 2.154 -17.151 1.00 25.00 H new ATOM 0 HH TYR A 14 -7.936 2.416 -15.413 1.00 25.00 H new ATOM 202 N GLN A 15 -1.368 0.676 -14.160 1.00 25.00 N ATOM 203 CA GLN A 15 -0.793 0.447 -12.838 1.00 25.00 C ATOM 204 C GLN A 15 0.219 -0.696 -12.969 1.00 25.00 C ATOM 205 O GLN A 15 1.233 -0.738 -12.276 1.00 25.00 O ATOM 206 CB GLN A 15 -1.867 0.088 -11.818 1.00 25.00 C ATOM 207 CG GLN A 15 -2.938 1.171 -11.653 1.00 25.00 C ATOM 208 CD GLN A 15 -3.989 0.826 -10.610 1.00 25.00 C ATOM 209 OE1 GLN A 15 -4.586 1.704 -10.022 1.00 25.00 O ATOM 210 NE2 GLN A 15 -4.242 -0.448 -10.411 1.00 25.00 N ATOM 0 H GLN A 15 -2.341 0.389 -14.269 1.00 25.00 H new ATOM 0 HA GLN A 15 -0.309 1.357 -12.483 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -2.346 -0.843 -12.119 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -1.394 -0.095 -10.853 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -2.456 2.109 -11.376 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -3.429 1.335 -12.612 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -3.719 -1.158 -10.924 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -4.961 -0.727 -9.744 1.00 25.00 H new ATOM 219 N LEU A 16 -0.045 -1.591 -13.910 1.00 25.00 N ATOM 220 CA LEU A 16 0.872 -2.685 -14.203 1.00 25.00 C ATOM 221 C LEU A 16 2.118 -2.150 -14.922 1.00 25.00 C ATOM 222 O LEU A 16 3.233 -2.481 -14.557 1.00 25.00 O ATOM 223 CB LEU A 16 0.163 -3.740 -15.064 1.00 25.00 C ATOM 224 CG LEU A 16 0.814 -5.123 -15.265 1.00 25.00 C ATOM 225 CD1 LEU A 16 -0.170 -5.937 -16.087 1.00 25.00 C ATOM 226 CD2 LEU A 16 2.155 -5.091 -15.952 1.00 25.00 C ATOM 0 H LEU A 16 -0.888 -1.582 -14.485 1.00 25.00 H new ATOM 0 HA LEU A 16 1.187 -3.150 -13.269 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -0.824 -3.904 -14.631 1.00 25.00 H new ATOM 0 HB3 LEU A 16 0.010 -3.305 -16.052 1.00 25.00 H new ATOM 0 HG LEU A 16 1.018 -5.555 -14.285 1.00 25.00 H new ATOM 0 HD11 LEU A 16 0.238 -6.932 -16.263 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -1.113 -6.022 -15.547 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -0.343 -5.442 -17.043 1.00 25.00 H new ATOM 0 HD21 LEU A 16 2.538 -6.107 -16.051 1.00 25.00 H new ATOM 0 HD22 LEU A 16 2.047 -4.646 -16.941 1.00 25.00 H new ATOM 0 HD23 LEU A 16 2.852 -4.497 -15.361 1.00 25.00 H new ATOM 238 N GLU A 17 1.958 -1.320 -15.944 1.00 25.00 N ATOM 239 CA GLU A 17 3.130 -0.807 -16.661 1.00 25.00 C ATOM 240 C GLU A 17 3.932 0.160 -15.794 1.00 25.00 C ATOM 241 O GLU A 17 5.118 0.309 -16.010 1.00 25.00 O ATOM 242 CB GLU A 17 2.765 -0.220 -18.027 1.00 25.00 C ATOM 243 CG GLU A 17 1.985 1.027 -18.001 1.00 25.00 C ATOM 244 CD GLU A 17 2.770 2.273 -18.435 1.00 25.00 C ATOM 245 OE1 GLU A 17 3.302 2.288 -19.569 1.00 25.00 O ATOM 246 OE2 GLU A 17 2.750 3.272 -17.686 1.00 25.00 O ATOM 0 H GLU A 17 1.057 -0.992 -16.292 1.00 25.00 H new ATOM 0 HA GLU A 17 3.781 -1.656 -16.870 1.00 25.00 H new ATOM 0 HB2 GLU A 17 3.686 -0.039 -18.581 1.00 25.00 H new ATOM 0 HB3 GLU A 17 2.200 -0.968 -18.583 1.00 25.00 H new ATOM 0 HG2 GLU A 17 1.118 0.913 -18.652 1.00 25.00 H new ATOM 0 HG3 GLU A 17 1.607 1.184 -16.991 1.00 25.00 H new ATOM 253 N ASN A 18 3.337 0.669 -14.725 1.00 25.00 N ATOM 254 CA ASN A 18 4.093 1.439 -13.724 1.00 25.00 C ATOM 255 C ASN A 18 5.095 0.580 -12.913 1.00 25.00 C ATOM 256 O ASN A 18 5.901 1.132 -12.179 1.00 25.00 O ATOM 257 CB ASN A 18 3.138 2.152 -12.753 1.00 25.00 C ATOM 258 CG ASN A 18 2.903 3.596 -13.120 1.00 25.00 C ATOM 259 OD1 ASN A 18 3.102 4.493 -12.307 1.00 25.00 O ATOM 260 ND2 ASN A 18 2.469 3.836 -14.336 1.00 25.00 N ATOM 0 H ASN A 18 2.343 0.569 -14.521 1.00 25.00 H new ATOM 0 HA ASN A 18 4.673 2.169 -14.289 1.00 25.00 H new ATOM 0 HB2 ASN A 18 2.184 1.626 -12.737 1.00 25.00 H new ATOM 0 HB3 ASN A 18 3.547 2.100 -11.744 1.00 25.00 H new ATOM 0 HD21 ASN A 18 2.286 4.795 -14.632 1.00 25.00 H new ATOM 0 HD22 ASN A 18 2.315 3.064 -14.984 1.00 25.00 H new ATOM 267 N TYR A 19 5.085 -0.734 -13.095 1.00 25.00 N ATOM 268 CA TYR A 19 6.135 -1.598 -12.519 1.00 25.00 C ATOM 269 C TYR A 19 7.417 -1.489 -13.358 1.00 25.00 C ATOM 270 O TYR A 19 8.499 -1.831 -12.881 1.00 25.00 O ATOM 271 CB TYR A 19 5.726 -3.076 -12.537 1.00 25.00 C ATOM 272 CG TYR A 19 4.812 -3.532 -11.415 1.00 25.00 C ATOM 273 CD1 TYR A 19 3.422 -3.360 -11.480 1.00 25.00 C ATOM 274 CD2 TYR A 19 5.355 -4.180 -10.278 1.00 25.00 C ATOM 275 CE1 TYR A 19 2.579 -3.841 -10.457 1.00 25.00 C ATOM 276 CE2 TYR A 19 4.504 -4.664 -9.254 1.00 25.00 C ATOM 277 CZ TYR A 19 3.122 -4.492 -9.348 1.00 25.00 C ATOM 278 OH TYR A 19 2.282 -4.946 -8.365 1.00 25.00 O ATOM 0 H TYR A 19 4.373 -1.232 -13.630 1.00 25.00 H new ATOM 0 HA TYR A 19 6.290 -1.265 -11.493 1.00 25.00 H new ATOM 0 HB2 TYR A 19 5.233 -3.283 -13.487 1.00 25.00 H new ATOM 0 HB3 TYR A 19 6.631 -3.682 -12.509 1.00 25.00 H new ATOM 0 HD1 TYR A 19 2.989 -2.850 -12.328 1.00 25.00 H new ATOM 0 HD2 TYR A 19 6.424 -4.306 -10.191 1.00 25.00 H new ATOM 0 HE1 TYR A 19 1.510 -3.705 -10.532 1.00 25.00 H new ATOM 0 HE2 TYR A 19 4.926 -5.168 -8.397 1.00 25.00 H new ATOM 0 HH TYR A 19 2.133 -5.908 -8.481 1.00 25.00 H new ATOM 288 N CYS A 20 7.271 -1.101 -14.618 1.00 25.00 N ATOM 289 CA CYS A 20 8.386 -1.075 -15.563 1.00 25.00 C ATOM 290 C CYS A 20 9.233 0.190 -15.404 1.00 25.00 C ATOM 291 O CYS A 20 9.115 0.908 -14.426 1.00 25.00 O ATOM 292 CB CYS A 20 7.863 -1.178 -17.001 1.00 25.00 C ATOM 293 SG CYS A 20 7.088 -2.785 -17.397 1.00 25.00 S ATOM 0 H CYS A 20 6.382 -0.796 -15.015 1.00 25.00 H new ATOM 0 HA CYS A 20 9.023 -1.933 -15.346 1.00 25.00 H new ATOM 0 HB2 CYS A 20 7.136 -0.384 -17.170 1.00 25.00 H new ATOM 0 HB3 CYS A 20 8.689 -1.005 -17.690 1.00 25.00 H new ATOM 298 N ASN A 21 10.113 0.409 -16.371 1.00 25.00 N ATOM 299 CA ASN A 21 11.042 1.533 -16.395 1.00 25.00 C ATOM 300 C ASN A 21 10.923 2.148 -17.767 1.00 25.00 C ATOM 301 O ASN A 21 11.246 3.338 -17.936 1.00 25.00 O ATOM 302 CB ASN A 21 12.487 1.046 -16.164 1.00 25.00 C ATOM 303 CG ASN A 21 12.898 -0.112 -17.086 1.00 25.00 C ATOM 304 OD1 ASN A 21 13.703 0.043 -17.999 1.00 25.00 O ATOM 305 ND2 ASN A 21 12.428 -1.306 -16.781 1.00 25.00 N ATOM 306 OXT ASN A 21 10.490 1.397 -18.661 1.00 25.00 O ATOM 0 H ASN A 21 10.204 -0.204 -17.181 1.00 25.00 H new ATOM 0 HA ASN A 21 10.808 2.251 -15.609 1.00 25.00 H new ATOM 0 HB2 ASN A 21 13.172 1.881 -16.315 1.00 25.00 H new ATOM 0 HB3 ASN A 21 12.594 0.729 -15.126 1.00 25.00 H new ATOM 0 HD21 ASN A 21 12.733 -2.124 -17.308 1.00 25.00 H new ATOM 0 HD22 ASN A 21 11.759 -1.411 -16.018 1.00 25.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 -2.782 -7.931 -22.847 1.00 25.00 N ATOM 315 CA PHE B 1 -3.253 -7.758 -21.441 1.00 25.00 C ATOM 316 C PHE B 1 -4.719 -7.356 -21.411 1.00 25.00 C ATOM 317 O PHE B 1 -5.134 -6.563 -22.241 1.00 25.00 O ATOM 318 CB PHE B 1 -2.432 -6.698 -20.735 1.00 25.00 C ATOM 319 CG PHE B 1 -2.677 -6.678 -19.285 1.00 25.00 C ATOM 320 CD1 PHE B 1 -2.325 -7.800 -18.521 1.00 25.00 C ATOM 321 CD2 PHE B 1 -3.294 -5.588 -18.660 1.00 25.00 C ATOM 322 CE1 PHE B 1 -2.602 -7.839 -17.167 1.00 25.00 C ATOM 323 CE2 PHE B 1 -3.570 -5.606 -17.280 1.00 25.00 C ATOM 324 CZ PHE B 1 -3.242 -6.753 -16.526 1.00 25.00 C ATOM 0 H1 PHE B 1 -1.778 -7.669 -22.911 1.00 25.00 H new ATOM 0 H2 PHE B 1 -2.900 -8.924 -23.133 1.00 25.00 H new ATOM 0 H3 PHE B 1 -3.340 -7.321 -23.478 1.00 25.00 H new ATOM 0 HA PHE B 1 -3.133 -8.712 -20.928 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -1.373 -6.878 -20.920 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -2.667 -5.720 -21.155 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -1.835 -8.639 -18.993 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -3.562 -4.721 -19.245 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -2.326 -8.710 -16.591 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.028 -4.752 -16.803 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.477 -6.801 -15.473 1.00 25.00 H new ATOM 336 N VAL B 2 -5.502 -7.913 -20.486 1.00 25.00 N ATOM 337 CA VAL B 2 -6.952 -7.618 -20.389 1.00 25.00 C ATOM 338 C VAL B 2 -7.422 -7.293 -18.959 1.00 25.00 C ATOM 339 O VAL B 2 -8.560 -7.561 -18.590 1.00 25.00 O ATOM 340 CB VAL B 2 -7.816 -8.812 -20.956 1.00 25.00 C ATOM 341 CG1 VAL B 2 -7.643 -8.934 -22.478 1.00 25.00 C ATOM 342 CG2 VAL B 2 -7.436 -10.147 -20.278 1.00 25.00 C ATOM 0 H VAL B 2 -5.165 -8.574 -19.786 1.00 25.00 H new ATOM 0 HA VAL B 2 -7.103 -6.724 -20.995 1.00 25.00 H new ATOM 0 HB VAL B 2 -8.861 -8.596 -20.734 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -8.247 -9.763 -22.848 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -7.965 -8.009 -22.956 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -6.594 -9.117 -22.711 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -8.047 -10.951 -20.689 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -6.383 -10.362 -20.462 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -7.609 -10.072 -19.204 1.00 25.00 H new ATOM 352 N ASN B 3 -6.531 -6.692 -18.178 1.00 25.00 N ATOM 353 CA ASN B 3 -6.792 -6.286 -16.774 1.00 25.00 C ATOM 354 C ASN B 3 -7.009 -7.490 -15.840 1.00 25.00 C ATOM 355 O ASN B 3 -6.067 -8.224 -15.593 1.00 25.00 O ATOM 356 CB ASN B 3 -7.916 -5.246 -16.694 1.00 25.00 C ATOM 357 CG ASN B 3 -7.605 -4.020 -17.495 1.00 25.00 C ATOM 358 OD1 ASN B 3 -6.488 -3.518 -17.459 1.00 25.00 O ATOM 359 ND2 ASN B 3 -8.557 -3.537 -18.227 1.00 25.00 N ATOM 0 H ASN B 3 -5.588 -6.463 -18.494 1.00 25.00 H new ATOM 0 HA ASN B 3 -5.890 -5.798 -16.404 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -8.845 -5.688 -17.054 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -8.078 -4.967 -15.653 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -8.390 -2.710 -18.800 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -9.474 -3.983 -18.230 1.00 25.00 H new ATOM 366 N GLN B 4 -8.222 -7.645 -15.312 1.00 25.00 N ATOM 367 CA GLN B 4 -8.573 -8.703 -14.308 1.00 25.00 C ATOM 368 C GLN B 4 -7.829 -8.530 -12.962 1.00 25.00 C ATOM 369 O GLN B 4 -7.001 -7.630 -12.789 1.00 25.00 O ATOM 370 CB GLN B 4 -8.315 -10.124 -14.851 1.00 25.00 C ATOM 371 CG GLN B 4 -8.966 -10.423 -16.213 1.00 25.00 C ATOM 372 CD GLN B 4 -8.584 -11.801 -16.722 1.00 25.00 C ATOM 373 OE1 GLN B 4 -7.430 -12.204 -16.643 1.00 25.00 O ATOM 374 NE2 GLN B 4 -9.538 -12.524 -17.237 1.00 25.00 N ATOM 0 H GLN B 4 -9.010 -7.046 -15.557 1.00 25.00 H new ATOM 0 HA GLN B 4 -9.640 -8.577 -14.125 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -7.239 -10.275 -14.938 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -8.681 -10.848 -14.123 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -10.050 -10.355 -16.122 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -8.659 -9.669 -16.937 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -10.488 -12.155 -17.286 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -9.335 -13.459 -17.591 1.00 25.00 H new ATOM 383 N HIS B 5 -8.164 -9.399 -12.006 1.00 25.00 N ATOM 384 CA HIS B 5 -7.464 -9.485 -10.712 1.00 25.00 C ATOM 385 C HIS B 5 -6.352 -10.489 -10.955 1.00 25.00 C ATOM 386 O HIS B 5 -6.640 -11.563 -11.495 1.00 25.00 O ATOM 387 CB HIS B 5 -8.369 -10.092 -9.624 1.00 25.00 C ATOM 388 CG HIS B 5 -9.421 -9.159 -9.087 1.00 25.00 C ATOM 389 ND1 HIS B 5 -10.319 -8.447 -9.852 1.00 25.00 N ATOM 390 CD2 HIS B 5 -9.723 -8.826 -7.808 1.00 25.00 C ATOM 391 CE1 HIS B 5 -11.098 -7.756 -9.042 1.00 25.00 C ATOM 392 NE2 HIS B 5 -10.790 -7.953 -7.786 1.00 25.00 N ATOM 0 H HIS B 5 -8.929 -10.066 -12.103 1.00 25.00 H new ATOM 0 HA HIS B 5 -7.137 -8.498 -10.384 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -8.860 -10.976 -10.031 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -7.744 -10.428 -8.796 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -9.204 -9.191 -6.934 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -11.894 -7.106 -9.375 1.00 25.00 H new ATOM 0 HE2 HIS B 5 -11.242 -7.548 -6.966 1.00 25.00 H new ATOM 400 N LEU B 6 -5.110 -10.171 -10.620 1.00 25.00 N ATOM 401 CA LEU B 6 -4.005 -11.081 -10.923 1.00 25.00 C ATOM 402 C LEU B 6 -3.054 -11.190 -9.749 1.00 25.00 C ATOM 403 O LEU B 6 -2.665 -10.195 -9.175 1.00 25.00 O ATOM 404 CB LEU B 6 -3.245 -10.600 -12.153 1.00 25.00 C ATOM 405 CG LEU B 6 -4.050 -10.541 -13.464 1.00 25.00 C ATOM 406 CD1 LEU B 6 -3.225 -9.881 -14.506 1.00 25.00 C ATOM 407 CD2 LEU B 6 -4.489 -11.918 -13.978 1.00 25.00 C ATOM 0 H LEU B 6 -4.841 -9.308 -10.147 1.00 25.00 H new ATOM 0 HA LEU B 6 -4.428 -12.066 -11.122 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -2.852 -9.605 -11.946 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -2.388 -11.256 -12.305 1.00 25.00 H new ATOM 0 HG LEU B 6 -4.959 -9.978 -13.251 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -3.786 -9.834 -15.439 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -2.972 -8.871 -14.184 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -2.310 -10.452 -14.662 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -5.051 -11.798 -14.904 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -3.609 -12.534 -14.164 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -5.119 -12.401 -13.231 1.00 25.00 H new ATOM 419 N CYS B 7 -2.717 -12.418 -9.380 1.00 25.00 N ATOM 420 CA CYS B 7 -1.871 -12.680 -8.234 1.00 25.00 C ATOM 421 C CYS B 7 -1.076 -13.944 -8.503 1.00 25.00 C ATOM 422 O CYS B 7 -1.415 -14.703 -9.409 1.00 25.00 O ATOM 423 CB CYS B 7 -2.760 -12.862 -7.006 1.00 25.00 C ATOM 424 SG CYS B 7 -1.982 -12.379 -5.437 1.00 25.00 S ATOM 0 H CYS B 7 -3.025 -13.258 -9.870 1.00 25.00 H new ATOM 0 HA CYS B 7 -1.183 -11.853 -8.058 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -3.670 -12.277 -7.141 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -3.060 -13.908 -6.942 1.00 25.00 H new ATOM 429 N GLY B 8 -0.039 -14.188 -7.714 1.00 25.00 N ATOM 430 CA GLY B 8 0.769 -15.387 -7.892 1.00 25.00 C ATOM 431 C GLY B 8 1.528 -15.386 -9.212 1.00 25.00 C ATOM 432 O GLY B 8 2.026 -14.352 -9.642 1.00 25.00 O ATOM 0 H GLY B 8 0.261 -13.579 -6.952 1.00 25.00 H new ATOM 0 HA2 GLY B 8 1.478 -15.469 -7.068 1.00 25.00 H new ATOM 0 HA3 GLY B 8 0.125 -16.265 -7.847 1.00 25.00 H new ATOM 436 N SER B 9 1.609 -16.543 -9.862 1.00 25.00 N ATOM 437 CA SER B 9 2.318 -16.673 -11.131 1.00 25.00 C ATOM 438 C SER B 9 1.746 -15.776 -12.217 1.00 25.00 C ATOM 439 O SER B 9 2.475 -15.312 -13.096 1.00 25.00 O ATOM 440 CB SER B 9 2.244 -18.124 -11.601 1.00 25.00 C ATOM 441 OG SER B 9 0.904 -18.590 -11.480 1.00 25.00 O ATOM 0 H SER B 9 1.189 -17.410 -9.528 1.00 25.00 H new ATOM 0 HA SER B 9 3.349 -16.366 -10.958 1.00 25.00 H new ATOM 0 HB2 SER B 9 2.576 -18.200 -12.637 1.00 25.00 H new ATOM 0 HB3 SER B 9 2.913 -18.746 -11.006 1.00 25.00 H new ATOM 0 HG SER B 9 0.853 -19.521 -11.783 1.00 25.00 H new ATOM 447 N HIS B 10 0.447 -15.499 -12.155 1.00 25.00 N ATOM 448 CA HIS B 10 -0.213 -14.659 -13.152 1.00 25.00 C ATOM 449 C HIS B 10 0.356 -13.243 -13.169 1.00 25.00 C ATOM 450 O HIS B 10 0.317 -12.565 -14.184 1.00 25.00 O ATOM 451 CB HIS B 10 -1.717 -14.558 -12.885 1.00 25.00 C ATOM 452 CG HIS B 10 -2.454 -15.852 -13.023 1.00 25.00 C ATOM 453 ND1 HIS B 10 -3.809 -15.996 -12.841 1.00 25.00 N ATOM 454 CD2 HIS B 10 -2.016 -17.098 -13.346 1.00 25.00 C ATOM 455 CE1 HIS B 10 -4.121 -17.272 -13.035 1.00 25.00 C ATOM 456 NE2 HIS B 10 -3.069 -17.992 -13.357 1.00 25.00 N ATOM 0 H HIS B 10 -0.172 -15.845 -11.422 1.00 25.00 H new ATOM 0 HA HIS B 10 -0.033 -15.136 -14.115 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -1.870 -14.172 -11.877 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -2.149 -13.832 -13.574 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -0.989 -17.353 -13.563 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -5.120 -17.671 -12.940 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -3.037 -18.989 -13.568 1.00 25.00 H new ATOM 464 N LEU B 11 0.899 -12.798 -12.041 1.00 25.00 N ATOM 465 CA LEU B 11 1.461 -11.457 -11.947 1.00 25.00 C ATOM 466 C LEU B 11 2.735 -11.375 -12.782 1.00 25.00 C ATOM 467 O LEU B 11 3.000 -10.368 -13.442 1.00 25.00 O ATOM 468 CB LEU B 11 1.767 -11.126 -10.484 1.00 25.00 C ATOM 469 CG LEU B 11 2.006 -9.639 -10.179 1.00 25.00 C ATOM 470 CD1 LEU B 11 1.275 -9.261 -8.891 1.00 25.00 C ATOM 471 CD2 LEU B 11 3.492 -9.358 -10.040 1.00 25.00 C ATOM 0 H LEU B 11 0.962 -13.345 -11.182 1.00 25.00 H new ATOM 0 HA LEU B 11 0.740 -10.735 -12.329 1.00 25.00 H new ATOM 0 HB2 LEU B 11 0.938 -11.477 -9.869 1.00 25.00 H new ATOM 0 HB3 LEU B 11 2.650 -11.688 -10.179 1.00 25.00 H new ATOM 0 HG LEU B 11 1.620 -9.039 -11.003 1.00 25.00 H new ATOM 0 HD11 LEU B 11 1.444 -8.206 -8.673 1.00 25.00 H new ATOM 0 HD12 LEU B 11 0.207 -9.440 -9.013 1.00 25.00 H new ATOM 0 HD13 LEU B 11 1.653 -9.867 -8.067 1.00 25.00 H new ATOM 0 HD21 LEU B 11 3.644 -8.300 -9.824 1.00 25.00 H new ATOM 0 HD22 LEU B 11 3.901 -9.957 -9.226 1.00 25.00 H new ATOM 0 HD23 LEU B 11 3.999 -9.615 -10.970 1.00 25.00 H new ATOM 483 N VAL B 12 3.507 -12.448 -12.770 1.00 25.00 N ATOM 484 CA VAL B 12 4.752 -12.489 -13.529 1.00 25.00 C ATOM 485 C VAL B 12 4.432 -12.483 -15.017 1.00 25.00 C ATOM 486 O VAL B 12 5.064 -11.778 -15.788 1.00 25.00 O ATOM 487 CB VAL B 12 5.606 -13.749 -13.167 1.00 25.00 C ATOM 488 CG1 VAL B 12 6.917 -13.760 -13.947 1.00 25.00 C ATOM 489 CG2 VAL B 12 5.923 -13.773 -11.669 1.00 25.00 C ATOM 0 H VAL B 12 3.299 -13.299 -12.248 1.00 25.00 H new ATOM 0 HA VAL B 12 5.341 -11.609 -13.272 1.00 25.00 H new ATOM 0 HB VAL B 12 5.020 -14.629 -13.432 1.00 25.00 H new ATOM 0 HG11 VAL B 12 7.493 -14.645 -13.678 1.00 25.00 H new ATOM 0 HG12 VAL B 12 6.704 -13.776 -15.016 1.00 25.00 H new ATOM 0 HG13 VAL B 12 7.492 -12.866 -13.705 1.00 25.00 H new ATOM 0 HG21 VAL B 12 6.517 -14.657 -11.437 1.00 25.00 H new ATOM 0 HG22 VAL B 12 6.484 -12.878 -11.401 1.00 25.00 H new ATOM 0 HG23 VAL B 12 4.993 -13.802 -11.101 1.00 25.00 H new ATOM 499 N GLU B 13 3.415 -13.237 -15.404 1.00 25.00 N ATOM 500 CA GLU B 13 2.985 -13.258 -16.807 1.00 25.00 C ATOM 501 C GLU B 13 2.425 -11.913 -17.238 1.00 25.00 C ATOM 502 O GLU B 13 2.642 -11.480 -18.349 1.00 25.00 O ATOM 503 CB GLU B 13 1.916 -14.333 -17.025 1.00 25.00 C ATOM 504 CG GLU B 13 2.447 -15.754 -16.945 1.00 25.00 C ATOM 505 CD GLU B 13 2.030 -16.578 -18.164 1.00 25.00 C ATOM 506 OE1 GLU B 13 0.822 -16.639 -18.453 1.00 25.00 O ATOM 507 OE2 GLU B 13 2.918 -17.143 -18.835 1.00 25.00 O ATOM 0 H GLU B 13 2.874 -13.837 -14.782 1.00 25.00 H new ATOM 0 HA GLU B 13 3.865 -13.483 -17.410 1.00 25.00 H new ATOM 0 HB2 GLU B 13 1.130 -14.207 -16.280 1.00 25.00 H new ATOM 0 HB3 GLU B 13 1.456 -14.182 -18.002 1.00 25.00 H new ATOM 0 HG2 GLU B 13 3.534 -15.734 -16.873 1.00 25.00 H new ATOM 0 HG3 GLU B 13 2.076 -16.231 -16.038 1.00 25.00 H new ATOM 514 N ALA B 14 1.745 -11.223 -16.339 1.00 25.00 N ATOM 515 CA ALA B 14 1.215 -9.907 -16.622 1.00 25.00 C ATOM 516 C ALA B 14 2.368 -8.948 -16.932 1.00 25.00 C ATOM 517 O ALA B 14 2.342 -8.235 -17.943 1.00 25.00 O ATOM 518 CB ALA B 14 0.400 -9.418 -15.440 1.00 25.00 C ATOM 0 H ALA B 14 1.547 -11.560 -15.397 1.00 25.00 H new ATOM 0 HA ALA B 14 0.560 -9.951 -17.492 1.00 25.00 H new ATOM 0 HB1 ALA B 14 0.003 -8.427 -15.657 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -0.424 -10.107 -15.256 1.00 25.00 H new ATOM 0 HB3 ALA B 14 1.035 -9.368 -14.556 1.00 25.00 H new ATOM 524 N LEU B 15 3.395 -8.976 -16.087 1.00 25.00 N ATOM 525 CA LEU B 15 4.573 -8.142 -16.284 1.00 25.00 C ATOM 526 C LEU B 15 5.235 -8.463 -17.615 1.00 25.00 C ATOM 527 O LEU B 15 5.606 -7.571 -18.351 1.00 25.00 O ATOM 528 CB LEU B 15 5.557 -8.404 -15.163 1.00 25.00 C ATOM 529 CG LEU B 15 5.790 -7.324 -14.107 1.00 25.00 C ATOM 530 CD1 LEU B 15 6.381 -6.053 -14.740 1.00 25.00 C ATOM 531 CD2 LEU B 15 4.516 -7.003 -13.322 1.00 25.00 C ATOM 0 H LEU B 15 3.433 -9.569 -15.258 1.00 25.00 H new ATOM 0 HA LEU B 15 4.270 -7.095 -16.284 1.00 25.00 H new ATOM 0 HB2 LEU B 15 5.230 -9.305 -14.644 1.00 25.00 H new ATOM 0 HB3 LEU B 15 6.521 -8.630 -15.619 1.00 25.00 H new ATOM 0 HG LEU B 15 6.514 -7.721 -13.396 1.00 25.00 H new ATOM 0 HD11 LEU B 15 6.537 -5.300 -13.967 1.00 25.00 H new ATOM 0 HD12 LEU B 15 7.334 -6.291 -15.212 1.00 25.00 H new ATOM 0 HD13 LEU B 15 5.691 -5.665 -15.490 1.00 25.00 H new ATOM 0 HD21 LEU B 15 4.729 -6.231 -12.583 1.00 25.00 H new ATOM 0 HD22 LEU B 15 3.746 -6.647 -14.007 1.00 25.00 H new ATOM 0 HD23 LEU B 15 4.164 -7.902 -12.816 1.00 25.00 H new ATOM 543 N TYR B 16 5.354 -9.748 -17.913 1.00 25.00 N ATOM 544 CA TYR B 16 5.993 -10.196 -19.146 1.00 25.00 C ATOM 545 C TYR B 16 5.209 -9.761 -20.388 1.00 25.00 C ATOM 546 O TYR B 16 5.792 -9.311 -21.371 1.00 25.00 O ATOM 547 CB TYR B 16 6.142 -11.716 -19.108 1.00 25.00 C ATOM 548 CG TYR B 16 7.066 -12.282 -20.164 1.00 25.00 C ATOM 549 CD1 TYR B 16 8.457 -12.286 -19.963 1.00 25.00 C ATOM 550 CD2 TYR B 16 6.549 -12.825 -21.363 1.00 25.00 C ATOM 551 CE1 TYR B 16 9.330 -12.848 -20.941 1.00 25.00 C ATOM 552 CE2 TYR B 16 7.418 -13.376 -22.343 1.00 25.00 C ATOM 553 CZ TYR B 16 8.799 -13.383 -22.116 1.00 25.00 C ATOM 554 OH TYR B 16 9.653 -13.913 -23.047 1.00 25.00 O ATOM 0 H TYR B 16 5.016 -10.503 -17.317 1.00 25.00 H new ATOM 0 HA TYR B 16 6.976 -9.730 -19.214 1.00 25.00 H new ATOM 0 HB2 TYR B 16 6.512 -12.008 -18.125 1.00 25.00 H new ATOM 0 HB3 TYR B 16 5.157 -12.168 -19.225 1.00 25.00 H new ATOM 0 HD1 TYR B 16 8.869 -11.860 -19.060 1.00 25.00 H new ATOM 0 HD2 TYR B 16 5.483 -12.821 -21.536 1.00 25.00 H new ATOM 0 HE1 TYR B 16 10.397 -12.860 -20.773 1.00 25.00 H new ATOM 0 HE2 TYR B 16 7.015 -13.787 -23.257 1.00 25.00 H new ATOM 0 HH TYR B 16 9.138 -14.248 -23.810 1.00 25.00 H new ATOM 564 N LEU B 17 3.885 -9.874 -20.341 1.00 25.00 N ATOM 565 CA LEU B 17 3.042 -9.490 -21.479 1.00 25.00 C ATOM 566 C LEU B 17 3.018 -7.988 -21.738 1.00 25.00 C ATOM 567 O LEU B 17 2.948 -7.546 -22.883 1.00 25.00 O ATOM 568 CB LEU B 17 1.603 -9.970 -21.249 1.00 25.00 C ATOM 569 CG LEU B 17 1.381 -11.482 -21.396 1.00 25.00 C ATOM 570 CD1 LEU B 17 0.015 -11.859 -20.816 1.00 25.00 C ATOM 571 CD2 LEU B 17 1.462 -11.931 -22.869 1.00 25.00 C ATOM 0 H LEU B 17 3.371 -10.226 -19.534 1.00 25.00 H new ATOM 0 HA LEU B 17 3.482 -9.966 -22.355 1.00 25.00 H new ATOM 0 HB2 LEU B 17 1.294 -9.670 -20.248 1.00 25.00 H new ATOM 0 HB3 LEU B 17 0.949 -9.454 -21.952 1.00 25.00 H new ATOM 0 HG LEU B 17 2.173 -11.992 -20.848 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -0.141 -12.933 -20.921 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -0.019 -11.589 -19.761 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -0.768 -11.324 -21.353 1.00 25.00 H new ATOM 0 HD21 LEU B 17 1.300 -13.007 -22.931 1.00 25.00 H new ATOM 0 HD22 LEU B 17 0.697 -11.415 -23.449 1.00 25.00 H new ATOM 0 HD23 LEU B 17 2.446 -11.689 -23.270 1.00 25.00 H new ATOM 583 N VAL B 18 3.020 -7.189 -20.680 1.00 25.00 N ATOM 584 CA VAL B 18 2.932 -5.727 -20.847 1.00 25.00 C ATOM 585 C VAL B 18 4.303 -5.122 -21.133 1.00 25.00 C ATOM 586 O VAL B 18 4.428 -4.276 -22.014 1.00 25.00 O ATOM 587 CB VAL B 18 2.319 -5.067 -19.590 1.00 25.00 C ATOM 588 CG1 VAL B 18 2.291 -3.525 -19.706 1.00 25.00 C ATOM 589 CG2 VAL B 18 0.891 -5.603 -19.412 1.00 25.00 C ATOM 0 H VAL B 18 3.080 -7.509 -19.713 1.00 25.00 H new ATOM 0 HA VAL B 18 2.283 -5.532 -21.701 1.00 25.00 H new ATOM 0 HB VAL B 18 2.936 -5.314 -18.726 1.00 25.00 H new ATOM 0 HG11 VAL B 18 1.853 -3.100 -18.803 1.00 25.00 H new ATOM 0 HG12 VAL B 18 3.308 -3.151 -19.827 1.00 25.00 H new ATOM 0 HG13 VAL B 18 1.693 -3.236 -20.570 1.00 25.00 H new ATOM 0 HG21 VAL B 18 0.440 -5.150 -18.530 1.00 25.00 H new ATOM 0 HG22 VAL B 18 0.297 -5.355 -20.292 1.00 25.00 H new ATOM 0 HG23 VAL B 18 0.921 -6.686 -19.288 1.00 25.00 H new ATOM 599 N CYS B 19 5.338 -5.552 -20.420 1.00 25.00 N ATOM 600 CA CYS B 19 6.685 -5.025 -20.648 1.00 25.00 C ATOM 601 C CYS B 19 7.409 -5.773 -21.772 1.00 25.00 C ATOM 602 O CYS B 19 8.602 -5.568 -21.982 1.00 25.00 O ATOM 603 CB CYS B 19 7.504 -5.076 -19.365 1.00 25.00 C ATOM 604 SG CYS B 19 8.218 -3.446 -18.952 1.00 25.00 S ATOM 0 H CYS B 19 5.275 -6.257 -19.686 1.00 25.00 H new ATOM 0 HA CYS B 19 6.578 -3.986 -20.960 1.00 25.00 H new ATOM 0 HB2 CYS B 19 6.873 -5.415 -18.544 1.00 25.00 H new ATOM 0 HB3 CYS B 19 8.305 -5.807 -19.474 1.00 25.00 H new ATOM 609 N GLY B 20 6.686 -6.639 -22.474 1.00 25.00 N ATOM 610 CA GLY B 20 7.196 -7.337 -23.644 1.00 25.00 C ATOM 611 C GLY B 20 8.176 -8.474 -23.407 1.00 25.00 C ATOM 612 O GLY B 20 8.055 -9.528 -24.015 1.00 25.00 O ATOM 0 H GLY B 20 5.721 -6.877 -22.243 1.00 25.00 H new ATOM 0 HA2 GLY B 20 6.345 -7.735 -24.196 1.00 25.00 H new ATOM 0 HA3 GLY B 20 7.680 -6.604 -24.289 1.00 25.00 H new ATOM 616 N GLU B 21 9.176 -8.233 -22.569 1.00 25.00 N ATOM 617 CA GLU B 21 10.278 -9.174 -22.373 1.00 25.00 C ATOM 618 C GLU B 21 10.700 -9.351 -20.913 1.00 25.00 C ATOM 619 O GLU B 21 11.206 -10.412 -20.552 1.00 25.00 O ATOM 620 CB GLU B 21 11.472 -8.720 -23.227 1.00 25.00 C ATOM 621 CG GLU B 21 11.881 -7.248 -23.046 1.00 25.00 C ATOM 622 CD GLU B 21 12.913 -6.798 -24.075 1.00 25.00 C ATOM 623 OE1 GLU B 21 14.062 -7.290 -24.012 1.00 25.00 O ATOM 624 OE2 GLU B 21 12.615 -5.889 -24.877 1.00 25.00 O ATOM 0 H GLU B 21 9.249 -7.385 -22.007 1.00 25.00 H new ATOM 0 HA GLU B 21 9.922 -10.155 -22.688 1.00 25.00 H new ATOM 0 HB2 GLU B 21 12.329 -9.351 -22.990 1.00 25.00 H new ATOM 0 HB3 GLU B 21 11.233 -8.888 -24.277 1.00 25.00 H new ATOM 0 HG2 GLU B 21 10.996 -6.616 -23.123 1.00 25.00 H new ATOM 0 HG3 GLU B 21 12.286 -7.107 -22.044 1.00 25.00 H new ATOM 631 N ARG B 22 10.473 -8.335 -20.077 1.00 25.00 N ATOM 632 CA ARG B 22 10.753 -8.431 -18.634 1.00 25.00 C ATOM 633 C ARG B 22 10.073 -7.293 -17.847 1.00 25.00 C ATOM 634 O ARG B 22 8.906 -7.377 -17.527 1.00 25.00 O ATOM 635 CB ARG B 22 12.279 -8.503 -18.340 1.00 25.00 C ATOM 636 CG ARG B 22 13.170 -7.762 -19.343 1.00 25.00 C ATOM 637 CD ARG B 22 14.613 -7.745 -18.893 1.00 25.00 C ATOM 638 NE ARG B 22 15.458 -7.017 -19.850 1.00 25.00 N ATOM 639 CZ ARG B 22 16.630 -6.462 -19.573 1.00 25.00 C ATOM 640 NH1 ARG B 22 17.166 -6.498 -18.369 1.00 25.00 N ATOM 641 NH2 ARG B 22 17.270 -5.846 -20.521 1.00 25.00 N ATOM 0 H ARG B 22 10.096 -7.434 -20.370 1.00 25.00 H new ATOM 0 HA ARG B 22 10.320 -9.369 -18.287 1.00 25.00 H new ATOM 0 HB2 ARG B 22 12.461 -8.096 -17.346 1.00 25.00 H new ATOM 0 HB3 ARG B 22 12.579 -9.550 -18.315 1.00 25.00 H new ATOM 0 HG2 ARG B 22 13.098 -8.241 -20.319 1.00 25.00 H new ATOM 0 HG3 ARG B 22 12.813 -6.739 -19.463 1.00 25.00 H new ATOM 0 HD2 ARG B 22 14.685 -7.278 -17.911 1.00 25.00 H new ATOM 0 HD3 ARG B 22 14.976 -8.767 -18.787 1.00 25.00 H new ATOM 0 HE ARG B 22 15.114 -6.932 -20.807 1.00 25.00 H new ATOM 0 HH11 ARG B 22 16.676 -6.966 -17.607 1.00 25.00 H new ATOM 0 HH12 ARG B 22 18.070 -6.058 -18.200 1.00 25.00 H new ATOM 0 HH21 ARG B 22 16.869 -5.796 -21.458 1.00 25.00 H new ATOM 0 HH22 ARG B 22 18.173 -5.412 -20.329 1.00 25.00 H new ATOM 655 N GLY B 23 10.821 -6.241 -17.517 1.00 25.00 N ATOM 656 CA GLY B 23 10.293 -5.155 -16.704 1.00 25.00 C ATOM 657 C GLY B 23 10.362 -5.428 -15.211 1.00 25.00 C ATOM 658 O GLY B 23 9.891 -4.638 -14.404 1.00 25.00 O ATOM 0 H GLY B 23 11.793 -6.121 -17.802 1.00 25.00 H new ATOM 0 HA2 GLY B 23 10.848 -4.243 -16.925 1.00 25.00 H new ATOM 0 HA3 GLY B 23 9.256 -4.973 -16.985 1.00 25.00 H new ATOM 662 N PHE B 24 10.953 -6.550 -14.837 1.00 25.00 N ATOM 663 CA PHE B 24 11.090 -6.921 -13.434 1.00 25.00 C ATOM 664 C PHE B 24 12.434 -7.623 -13.279 1.00 25.00 C ATOM 665 O PHE B 24 13.038 -8.027 -14.267 1.00 25.00 O ATOM 666 CB PHE B 24 9.946 -7.854 -13.014 1.00 25.00 C ATOM 667 CG PHE B 24 9.852 -9.123 -13.840 1.00 25.00 C ATOM 668 CD1 PHE B 24 9.096 -9.148 -15.021 1.00 25.00 C ATOM 669 CD2 PHE B 24 10.501 -10.296 -13.432 1.00 25.00 C ATOM 670 CE1 PHE B 24 8.986 -10.326 -15.800 1.00 25.00 C ATOM 671 CE2 PHE B 24 10.407 -11.490 -14.202 1.00 25.00 C ATOM 672 CZ PHE B 24 9.646 -11.493 -15.399 1.00 25.00 C ATOM 0 H PHE B 24 11.349 -7.226 -15.489 1.00 25.00 H new ATOM 0 HA PHE B 24 11.044 -6.038 -12.797 1.00 25.00 H new ATOM 0 HB2 PHE B 24 10.076 -8.123 -11.966 1.00 25.00 H new ATOM 0 HB3 PHE B 24 9.003 -7.313 -13.089 1.00 25.00 H new ATOM 0 HD1 PHE B 24 8.588 -8.251 -15.343 1.00 25.00 H new ATOM 0 HD2 PHE B 24 11.081 -10.294 -12.521 1.00 25.00 H new ATOM 0 HE1 PHE B 24 8.393 -10.323 -16.703 1.00 25.00 H new ATOM 0 HE2 PHE B 24 10.912 -12.388 -13.877 1.00 25.00 H new ATOM 0 HZ PHE B 24 9.576 -12.390 -15.997 1.00 25.00 H new ATOM 682 N PHE B 25 12.871 -7.805 -12.037 1.00 25.00 N ATOM 683 CA PHE B 25 14.088 -8.551 -11.747 1.00 25.00 C ATOM 684 C PHE B 25 13.803 -9.514 -10.604 1.00 25.00 C ATOM 685 O PHE B 25 14.218 -9.324 -9.459 1.00 25.00 O ATOM 686 CB PHE B 25 15.229 -7.592 -11.398 1.00 25.00 C ATOM 687 CG PHE B 25 16.611 -8.166 -11.662 1.00 25.00 C ATOM 688 CD1 PHE B 25 16.907 -9.545 -11.453 1.00 25.00 C ATOM 689 CD2 PHE B 25 17.627 -7.321 -12.133 1.00 25.00 C ATOM 690 CE1 PHE B 25 18.203 -10.059 -11.722 1.00 25.00 C ATOM 691 CE2 PHE B 25 18.923 -7.817 -12.402 1.00 25.00 C ATOM 692 CZ PHE B 25 19.214 -9.189 -12.193 1.00 25.00 C ATOM 0 H PHE B 25 12.396 -7.443 -11.211 1.00 25.00 H new ATOM 0 HA PHE B 25 14.400 -9.119 -12.623 1.00 25.00 H new ATOM 0 HB2 PHE B 25 15.110 -6.675 -11.974 1.00 25.00 H new ATOM 0 HB3 PHE B 25 15.153 -7.319 -10.345 1.00 25.00 H new ATOM 0 HD1 PHE B 25 16.136 -10.206 -11.086 1.00 25.00 H new ATOM 0 HD2 PHE B 25 17.415 -6.274 -12.293 1.00 25.00 H new ATOM 0 HE1 PHE B 25 18.415 -11.107 -11.568 1.00 25.00 H new ATOM 0 HE2 PHE B 25 19.691 -7.151 -12.767 1.00 25.00 H new ATOM 0 HZ PHE B 25 20.205 -9.569 -12.393 1.00 25.00 H new HETATM 702 N NVA B 26 13.075 -10.563 -10.978 1.00 25.00 N HETATM 703 CA NVA B 26 12.704 -11.684 -10.106 1.00 25.00 C HETATM 704 CB NVA B 26 11.134 -11.886 -10.074 1.00 25.00 C HETATM 705 CG NVA B 26 10.653 -13.023 -9.112 1.00 25.00 C HETATM 706 CD NVA B 26 10.769 -12.657 -7.606 1.00 25.00 C HETATM 707 C NVA B 26 13.464 -12.935 -10.550 1.00 25.00 C HETATM 708 O NVA B 26 13.285 -13.457 -11.638 1.00 25.00 O HETATM 0 HG3 NVA B 26 9.615 -13.264 -9.339 1.00 25.00 H new HETATM 0 HG2 NVA B 26 11.239 -13.922 -9.305 1.00 25.00 H new HETATM 0 HD3 NVA B 26 11.810 -12.445 -7.362 1.00 25.00 H new HETATM 0 HD2 NVA B 26 10.161 -11.777 -7.398 1.00 25.00 H new HETATM 0 HB3 NVA B 26 10.664 -10.949 -9.774 1.00 25.00 H new HETATM 0 HB2 NVA B 26 10.787 -12.108 -11.083 1.00 25.00 H new HETATM 0 HA NVA B 26 12.992 -11.468 -9.077 1.00 25.00 H new ATOM 717 N THR B 27 14.390 -13.389 -9.675 1.00 25.00 N ATOM 718 CA THR B 27 15.128 -14.630 -9.883 1.00 25.00 C ATOM 719 C THR B 27 14.093 -15.729 -9.621 1.00 25.00 C ATOM 720 O THR B 27 13.116 -15.480 -8.914 1.00 25.00 O ATOM 721 CB THR B 27 16.321 -14.752 -8.911 1.00 25.00 C ATOM 722 OG1 THR B 27 15.886 -14.434 -7.586 1.00 25.00 O ATOM 723 CG2 THR B 27 17.429 -13.773 -9.295 1.00 25.00 C ATOM 0 H THR B 27 14.637 -12.900 -8.814 1.00 25.00 H new ATOM 0 HA THR B 27 15.561 -14.688 -10.882 1.00 25.00 H new ATOM 0 HB THR B 27 16.702 -15.772 -8.960 1.00 25.00 H new ATOM 0 HG1 THR B 27 16.641 -14.512 -6.966 1.00 25.00 H new ATOM 0 HG21 THR B 27 18.261 -13.874 -8.598 1.00 25.00 H new ATOM 0 HG22 THR B 27 17.773 -13.992 -10.306 1.00 25.00 H new ATOM 0 HG23 THR B 27 17.044 -12.754 -9.255 1.00 25.00 H new ATOM 731 N PRO B 28 14.274 -16.939 -10.174 1.00 25.00 N ATOM 732 CA PRO B 28 13.195 -17.922 -9.935 1.00 25.00 C ATOM 733 C PRO B 28 13.080 -18.388 -8.474 1.00 25.00 C ATOM 734 O PRO B 28 13.914 -19.145 -7.962 1.00 25.00 O ATOM 735 CB PRO B 28 13.559 -19.058 -10.886 1.00 25.00 C ATOM 736 CG PRO B 28 15.047 -18.976 -10.991 1.00 25.00 C ATOM 737 CD PRO B 28 15.333 -17.496 -11.032 1.00 25.00 C ATOM 0 HA PRO B 28 12.207 -17.499 -10.118 1.00 25.00 H new ATOM 0 HB2 PRO B 28 13.239 -20.024 -10.496 1.00 25.00 H new ATOM 0 HB3 PRO B 28 13.082 -18.933 -11.858 1.00 25.00 H new ATOM 0 HG2 PRO B 28 15.533 -19.452 -10.140 1.00 25.00 H new ATOM 0 HG3 PRO B 28 15.411 -19.477 -11.888 1.00 25.00 H new ATOM 0 HD2 PRO B 28 16.327 -17.265 -10.650 1.00 25.00 H new ATOM 0 HD3 PRO B 28 15.282 -17.101 -12.047 1.00 25.00 H new HETATM 745 N HIX B 29 12.008 -17.904 -7.800 1.00 25.00 N HETATM 746 CA HIX B 29 11.651 -18.256 -6.398 1.00 25.00 C HETATM 747 C HIX B 29 11.308 -19.744 -6.327 1.00 25.00 C HETATM 748 O HIX B 29 10.270 -20.184 -6.792 1.00 25.00 O HETATM 749 CB HIX B 29 10.492 -17.379 -5.813 1.00 25.00 C HETATM 750 CG HIX B 29 10.752 -15.903 -5.978 1.00 25.00 C HETATM 751 CD2 HIX B 29 10.310 -15.126 -6.919 1.00 25.00 C HETATM 752 ND1 HIX B 29 11.538 -15.181 -5.166 1.00 25.00 N HETATM 753 NE1 HIX B 29 11.553 -13.774 -5.519 1.00 25.00 N HETATM 754 NE2 HIX B 29 10.816 -13.875 -6.752 1.00 25.00 N ATOM 762 N THR B 30 12.258 -20.520 -5.760 1.00 25.00 N ATOM 763 CA THR B 30 12.171 -21.969 -5.603 1.00 25.00 C ATOM 764 C THR B 30 12.112 -22.264 -4.103 1.00 25.00 C ATOM 765 O THR B 30 11.293 -23.111 -3.687 1.00 25.00 O ATOM 766 CB THR B 30 13.404 -22.642 -6.233 1.00 25.00 C ATOM 767 OG1 THR B 30 13.567 -22.178 -7.578 1.00 25.00 O ATOM 768 CG2 THR B 30 13.249 -24.162 -6.272 1.00 25.00 C ATOM 769 OXT THR B 30 12.872 -21.594 -3.373 1.00 25.00 O ATOM 0 H THR B 30 13.127 -20.134 -5.392 1.00 25.00 H new ATOM 0 HA THR B 30 11.285 -22.360 -6.103 1.00 25.00 H new ATOM 0 HB THR B 30 14.270 -22.386 -5.623 1.00 25.00 H new ATOM 0 HG1 THR B 30 13.809 -21.228 -7.569 1.00 25.00 H new ATOM 0 HG21 THR B 30 14.136 -24.607 -6.722 1.00 25.00 H new ATOM 0 HG22 THR B 30 13.128 -24.542 -5.257 1.00 25.00 H new ATOM 0 HG23 THR B 30 12.372 -24.423 -6.864 1.00 25.00 H new TER 777 THR B 30