USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=10 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 HD3 : 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 12 SER OG : rot 48:sc= 0.0588 USER MOD Set 1.2: A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 129:sc= 0.118 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 8 THR OG1 : rot 150:sc= 0.387 USER MOD Single : A 9 SER OG : rot 180:sc= 0.195 USER MOD Single : A 15 GLN : amide:sc= 0.906 K(o=0.91,f=-5.1!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.154 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.789 K(o=-0.79,f=-3.3!) USER MOD Single : B 4 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : B 5 HIS : no HD1:sc= -0.401 X(o=-0.4,f=-0.73) USER MOD Single : B 9 SER OG : rot -35:sc= 0.0702 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 27 THR OG1 : rot 180:sc= 0.0658 USER MOD Single : B 30 THR OG1 : rot -36:sc= 0.384 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.045 0.759 -1.968 1.00 25.00 N ATOM 2 CA GLY A 1 0.969 0.177 -2.806 1.00 25.00 C ATOM 3 C GLY A 1 0.334 -0.628 -3.926 1.00 25.00 C ATOM 4 O GLY A 1 -0.786 -1.101 -3.731 1.00 25.00 O ATOM 0 H1 GLY A 1 0.156 0.535 -0.973 1.00 25.00 H new ATOM 0 H2 GLY A 1 -0.051 1.791 -2.096 1.00 25.00 H new ATOM 0 H3 GLY A 1 -0.975 0.373 -2.229 1.00 25.00 H new ATOM 0 HA2 GLY A 1 1.598 0.962 -3.226 1.00 25.00 H new ATOM 0 HA3 GLY A 1 1.617 -0.466 -2.210 1.00 25.00 H new ATOM 10 N ILE A 2 1.026 -0.776 -5.056 1.00 25.00 N ATOM 11 CA ILE A 2 0.455 -1.323 -6.260 1.00 25.00 C ATOM 12 C ILE A 2 0.155 -2.828 -6.077 1.00 25.00 C ATOM 13 O ILE A 2 -0.745 -3.377 -6.682 1.00 25.00 O ATOM 14 CB ILE A 2 1.436 -1.134 -7.466 1.00 25.00 C ATOM 15 CG1 ILE A 2 1.831 0.356 -7.651 1.00 25.00 C ATOM 16 CG2 ILE A 2 0.792 -1.690 -8.759 1.00 25.00 C ATOM 17 CD1 ILE A 2 3.018 0.567 -8.684 1.00 25.00 C ATOM 0 H ILE A 2 2.007 -0.513 -5.149 1.00 25.00 H new ATOM 0 HA ILE A 2 -0.474 -0.792 -6.467 1.00 25.00 H new ATOM 0 HB ILE A 2 2.349 -1.690 -7.252 1.00 25.00 H new ATOM 0 HG12 ILE A 2 0.960 0.916 -7.990 1.00 25.00 H new ATOM 0 HG13 ILE A 2 2.121 0.771 -6.685 1.00 25.00 H new ATOM 0 HG21 ILE A 2 1.479 -1.556 -9.594 1.00 25.00 H new ATOM 0 HG22 ILE A 2 0.578 -2.751 -8.632 1.00 25.00 H new ATOM 0 HG23 ILE A 2 -0.136 -1.155 -8.963 1.00 25.00 H new ATOM 0 HD11 ILE A 2 3.244 1.630 -8.766 1.00 25.00 H new ATOM 0 HD12 ILE A 2 3.903 0.034 -8.336 1.00 25.00 H new ATOM 0 HD13 ILE A 2 2.723 0.182 -9.660 1.00 25.00 H new ATOM 29 N VAL A 3 0.929 -3.507 -5.264 1.00 25.00 N ATOM 30 CA VAL A 3 0.792 -4.962 -5.176 1.00 25.00 C ATOM 31 C VAL A 3 -0.566 -5.281 -4.583 1.00 25.00 C ATOM 32 O VAL A 3 -1.237 -6.163 -5.095 1.00 25.00 O ATOM 33 CB VAL A 3 1.926 -5.588 -4.320 1.00 25.00 C ATOM 34 CG1 VAL A 3 2.115 -7.041 -4.633 1.00 25.00 C ATOM 35 CG2 VAL A 3 3.264 -4.820 -4.552 1.00 25.00 C ATOM 0 H VAL A 3 1.646 -3.099 -4.664 1.00 25.00 H new ATOM 0 HA VAL A 3 0.873 -5.392 -6.174 1.00 25.00 H new ATOM 0 HB VAL A 3 1.634 -5.502 -3.273 1.00 25.00 H new ATOM 0 HG11 VAL A 3 2.917 -7.445 -4.015 1.00 25.00 H new ATOM 0 HG12 VAL A 3 1.191 -7.581 -4.427 1.00 25.00 H new ATOM 0 HG13 VAL A 3 2.375 -7.156 -5.685 1.00 25.00 H new ATOM 0 HG21 VAL A 3 4.051 -5.269 -3.946 1.00 25.00 H new ATOM 0 HG22 VAL A 3 3.539 -4.878 -5.605 1.00 25.00 H new ATOM 0 HG23 VAL A 3 3.138 -3.775 -4.267 1.00 25.00 H new ATOM 45 N GLU A 4 -0.977 -4.532 -3.590 1.00 25.00 N ATOM 46 CA GLU A 4 -2.282 -4.724 -2.950 1.00 25.00 C ATOM 47 C GLU A 4 -3.359 -4.484 -3.987 1.00 25.00 C ATOM 48 O GLU A 4 -4.302 -5.281 -4.074 1.00 25.00 O ATOM 49 CB GLU A 4 -2.468 -3.735 -1.794 1.00 25.00 C ATOM 50 CG GLU A 4 -3.665 -4.072 -0.905 1.00 25.00 C ATOM 51 CD GLU A 4 -3.319 -5.179 0.130 1.00 25.00 C ATOM 52 OE1 GLU A 4 -3.433 -6.348 -0.198 1.00 25.00 O ATOM 53 OE2 GLU A 4 -3.021 -4.824 1.260 1.00 25.00 O ATOM 0 H GLU A 4 -0.427 -3.770 -3.193 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.344 -5.737 -2.552 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -1.563 -3.721 -1.186 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -2.595 -2.731 -2.199 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -3.994 -3.174 -0.381 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -4.498 -4.402 -1.526 1.00 25.00 H new ATOM 60 N GLN A 5 -3.217 -3.424 -4.750 1.00 25.00 N ATOM 61 CA GLN A 5 -4.163 -3.043 -5.799 1.00 25.00 C ATOM 62 C GLN A 5 -4.246 -4.094 -6.924 1.00 25.00 C ATOM 63 O GLN A 5 -5.314 -4.256 -7.544 1.00 25.00 O ATOM 64 CB GLN A 5 -3.753 -1.661 -6.391 1.00 25.00 C ATOM 65 CG GLN A 5 -3.992 -0.547 -5.391 1.00 25.00 C ATOM 66 CD GLN A 5 -3.849 0.828 -6.008 1.00 25.00 C ATOM 67 OE1 GLN A 5 -2.736 1.299 -6.296 1.00 25.00 O ATOM 68 NE2 GLN A 5 -4.957 1.511 -6.219 1.00 25.00 N ATOM 0 H GLN A 5 -2.428 -2.783 -4.665 1.00 25.00 H new ATOM 0 HA GLN A 5 -5.152 -2.979 -5.345 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -2.700 -1.681 -6.674 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -4.323 -1.467 -7.299 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -4.992 -0.650 -4.970 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -3.287 -0.646 -4.566 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -5.860 1.105 -5.975 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -4.911 2.445 -6.626 1.00 25.00 H new ATOM 77 N CYS A 6 -3.150 -4.770 -7.187 1.00 25.00 N ATOM 78 CA CYS A 6 -3.125 -5.801 -8.221 1.00 25.00 C ATOM 79 C CYS A 6 -3.723 -7.100 -7.690 1.00 25.00 C ATOM 80 O CYS A 6 -4.325 -7.883 -8.433 1.00 25.00 O ATOM 81 CB CYS A 6 -1.663 -6.024 -8.685 1.00 25.00 C ATOM 82 SG CYS A 6 -1.456 -6.975 -10.256 1.00 25.00 S ATOM 0 H CYS A 6 -2.262 -4.631 -6.705 1.00 25.00 H new ATOM 0 HA CYS A 6 -3.725 -5.476 -9.071 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -1.187 -5.051 -8.806 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -1.126 -6.545 -7.893 1.00 25.00 H new ATOM 87 N CYS A 7 -3.551 -7.338 -6.396 1.00 25.00 N ATOM 88 CA CYS A 7 -4.017 -8.565 -5.750 1.00 25.00 C ATOM 89 C CYS A 7 -5.465 -8.485 -5.401 1.00 25.00 C ATOM 90 O CYS A 7 -6.321 -9.078 -6.021 1.00 25.00 O ATOM 91 CB CYS A 7 -3.189 -8.807 -4.451 1.00 25.00 C ATOM 92 SG CYS A 7 -1.654 -9.711 -4.863 1.00 25.00 S ATOM 0 H CYS A 7 -3.085 -6.688 -5.762 1.00 25.00 H new ATOM 0 HA CYS A 7 -3.881 -9.390 -6.450 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -2.947 -7.855 -3.979 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -3.778 -9.378 -3.733 1.00 25.00 H new ATOM 97 N THR A 8 -5.742 -7.740 -4.375 1.00 25.00 N ATOM 98 CA THR A 8 -7.066 -7.656 -3.738 1.00 25.00 C ATOM 99 C THR A 8 -8.031 -6.725 -4.507 1.00 25.00 C ATOM 100 O THR A 8 -9.049 -6.287 -3.974 1.00 25.00 O ATOM 101 CB THR A 8 -6.836 -7.175 -2.280 1.00 25.00 C ATOM 102 OG1 THR A 8 -5.484 -7.504 -1.947 1.00 25.00 O ATOM 103 CG2 THR A 8 -7.769 -7.838 -1.286 1.00 25.00 C ATOM 0 H THR A 8 -5.045 -7.145 -3.926 1.00 25.00 H new ATOM 0 HA THR A 8 -7.550 -8.633 -3.748 1.00 25.00 H new ATOM 0 HB THR A 8 -7.035 -6.105 -2.224 1.00 25.00 H new ATOM 0 HG1 THR A 8 -5.136 -6.848 -1.307 1.00 25.00 H new ATOM 0 HG21 THR A 8 -7.561 -7.462 -0.284 1.00 25.00 H new ATOM 0 HG22 THR A 8 -8.802 -7.613 -1.551 1.00 25.00 H new ATOM 0 HG23 THR A 8 -7.616 -8.917 -1.307 1.00 25.00 H new ATOM 111 N SER A 9 -7.741 -6.489 -5.771 1.00 25.00 N ATOM 112 CA SER A 9 -8.620 -5.658 -6.622 1.00 25.00 C ATOM 113 C SER A 9 -8.312 -5.891 -8.103 1.00 25.00 C ATOM 114 O SER A 9 -7.609 -6.834 -8.499 1.00 25.00 O ATOM 115 CB SER A 9 -8.398 -4.163 -6.306 1.00 25.00 C ATOM 116 OG SER A 9 -9.497 -3.354 -6.717 1.00 25.00 O ATOM 0 H SER A 9 -6.913 -6.851 -6.244 1.00 25.00 H new ATOM 0 HA SER A 9 -9.653 -5.937 -6.416 1.00 25.00 H new ATOM 0 HB2 SER A 9 -8.240 -4.040 -5.235 1.00 25.00 H new ATOM 0 HB3 SER A 9 -7.491 -3.820 -6.803 1.00 25.00 H new ATOM 0 HG SER A 9 -9.314 -2.417 -6.496 1.00 25.00 H new ATOM 122 N ILE A 10 -8.841 -5.030 -8.950 1.00 25.00 N ATOM 123 CA ILE A 10 -8.595 -5.099 -10.392 1.00 25.00 C ATOM 124 C ILE A 10 -7.250 -4.526 -10.779 1.00 25.00 C ATOM 125 O ILE A 10 -7.120 -3.318 -10.944 1.00 25.00 O ATOM 126 CB ILE A 10 -9.700 -4.386 -11.178 1.00 25.00 C ATOM 127 CG1 ILE A 10 -11.070 -4.989 -10.820 1.00 25.00 C ATOM 128 CG2 ILE A 10 -9.449 -4.488 -12.674 1.00 25.00 C ATOM 129 CD1 ILE A 10 -11.300 -6.483 -11.232 1.00 25.00 C ATOM 0 H ILE A 10 -9.452 -4.263 -8.668 1.00 25.00 H new ATOM 0 HA ILE A 10 -8.595 -6.158 -10.648 1.00 25.00 H new ATOM 0 HB ILE A 10 -9.696 -3.331 -10.906 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -11.209 -4.906 -9.742 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -11.844 -4.382 -11.289 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -10.246 -3.975 -13.212 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -8.492 -4.025 -12.915 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -9.429 -5.537 -12.969 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -12.299 -6.795 -10.927 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -11.203 -6.581 -12.313 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -10.558 -7.114 -10.742 1.00 25.00 H new ATOM 141 N CYS A 11 -6.298 -5.418 -11.013 1.00 25.00 N ATOM 142 CA CYS A 11 -4.993 -5.021 -11.490 1.00 25.00 C ATOM 143 C CYS A 11 -5.203 -4.402 -12.860 1.00 25.00 C ATOM 144 O CYS A 11 -5.584 -5.115 -13.788 1.00 25.00 O ATOM 145 CB CYS A 11 -4.071 -6.246 -11.601 1.00 25.00 C ATOM 146 SG CYS A 11 -2.295 -5.785 -11.684 1.00 25.00 S ATOM 0 H CYS A 11 -6.411 -6.423 -10.878 1.00 25.00 H new ATOM 0 HA CYS A 11 -4.524 -4.315 -10.805 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -4.234 -6.898 -10.743 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -4.337 -6.817 -12.491 1.00 25.00 H new ATOM 151 N SER A 12 -4.972 -3.118 -12.968 1.00 25.00 N ATOM 152 CA SER A 12 -5.220 -2.393 -14.218 1.00 25.00 C ATOM 153 C SER A 12 -3.908 -2.196 -15.015 1.00 25.00 C ATOM 154 O SER A 12 -2.822 -2.253 -14.461 1.00 25.00 O ATOM 155 CB SER A 12 -5.791 -1.029 -13.864 1.00 25.00 C ATOM 156 OG SER A 12 -6.979 -1.175 -13.081 1.00 25.00 O ATOM 0 H SER A 12 -4.611 -2.539 -12.210 1.00 25.00 H new ATOM 0 HA SER A 12 -5.913 -2.966 -14.834 1.00 25.00 H new ATOM 0 HB2 SER A 12 -5.052 -0.450 -13.310 1.00 25.00 H new ATOM 0 HB3 SER A 12 -6.014 -0.473 -14.775 1.00 25.00 H new ATOM 0 HG SER A 12 -6.818 -1.819 -12.360 1.00 25.00 H new ATOM 162 N LEU A 13 -4.030 -1.947 -16.331 1.00 25.00 N ATOM 163 CA LEU A 13 -2.859 -1.787 -17.204 1.00 25.00 C ATOM 164 C LEU A 13 -1.859 -0.727 -16.759 1.00 25.00 C ATOM 165 O LEU A 13 -0.654 -0.950 -16.796 1.00 25.00 O ATOM 166 CB LEU A 13 -3.314 -1.487 -18.643 1.00 25.00 C ATOM 167 CG LEU A 13 -2.204 -1.204 -19.680 1.00 25.00 C ATOM 168 CD1 LEU A 13 -1.426 -2.460 -20.015 1.00 25.00 C ATOM 169 CD2 LEU A 13 -2.821 -0.561 -20.951 1.00 25.00 C ATOM 0 H LEU A 13 -4.926 -1.853 -16.810 1.00 25.00 H new ATOM 0 HA LEU A 13 -2.329 -2.737 -17.144 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -3.902 -2.334 -18.997 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -3.981 -0.625 -18.616 1.00 25.00 H new ATOM 0 HG LEU A 13 -1.495 -0.500 -19.246 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -0.653 -2.225 -20.747 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -0.961 -2.852 -19.110 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -2.103 -3.208 -20.429 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -2.033 -0.364 -21.678 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -3.553 -1.242 -21.385 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -3.311 0.375 -20.684 1.00 25.00 H new ATOM 181 N TYR A 14 -2.371 0.444 -16.374 1.00 25.00 N ATOM 182 CA TYR A 14 -1.506 1.588 -16.052 1.00 25.00 C ATOM 183 C TYR A 14 -0.780 1.312 -14.700 1.00 25.00 C ATOM 184 O TYR A 14 0.362 1.687 -14.469 1.00 25.00 O ATOM 185 CB TYR A 14 -2.353 2.843 -15.979 1.00 25.00 C ATOM 186 CG TYR A 14 -3.778 2.601 -15.490 1.00 25.00 C ATOM 187 CD1 TYR A 14 -4.105 2.645 -14.137 1.00 25.00 C ATOM 188 CD2 TYR A 14 -4.836 2.376 -16.419 1.00 25.00 C ATOM 189 CE1 TYR A 14 -5.462 2.432 -13.718 1.00 25.00 C ATOM 190 CE2 TYR A 14 -6.205 2.178 -15.986 1.00 25.00 C ATOM 191 CZ TYR A 14 -6.496 2.238 -14.639 1.00 25.00 C ATOM 192 OH TYR A 14 -7.762 2.075 -14.211 1.00 25.00 O ATOM 0 H TYR A 14 -3.370 0.627 -16.277 1.00 25.00 H new ATOM 0 HA TYR A 14 -0.750 1.729 -16.824 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -1.868 3.558 -15.315 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -2.392 3.301 -16.967 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -3.338 2.839 -13.402 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -4.611 2.352 -17.475 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -5.690 2.421 -12.662 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -6.986 1.986 -16.707 1.00 25.00 H new ATOM 0 HH TYR A 14 -8.355 1.953 -14.982 1.00 25.00 H new ATOM 202 N GLN A 15 -1.466 0.580 -13.822 1.00 25.00 N ATOM 203 CA GLN A 15 -0.895 0.227 -12.544 1.00 25.00 C ATOM 204 C GLN A 15 0.251 -0.747 -12.763 1.00 25.00 C ATOM 205 O GLN A 15 1.280 -0.616 -12.132 1.00 25.00 O ATOM 206 CB GLN A 15 -1.963 -0.482 -11.678 1.00 25.00 C ATOM 207 CG GLN A 15 -3.154 0.438 -11.320 1.00 25.00 C ATOM 208 CD GLN A 15 -4.178 -0.315 -10.513 1.00 25.00 C ATOM 209 OE1 GLN A 15 -4.485 -1.410 -10.779 1.00 25.00 O ATOM 210 NE2 GLN A 15 -4.714 0.298 -9.549 1.00 25.00 N ATOM 0 H GLN A 15 -2.410 0.227 -13.980 1.00 25.00 H new ATOM 0 HA GLN A 15 -0.544 1.131 -12.047 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -2.334 -1.357 -12.211 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -1.499 -0.841 -10.760 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -2.799 1.299 -10.755 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -3.612 0.822 -12.232 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -4.432 1.254 -9.333 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -5.429 -0.163 -8.986 1.00 25.00 H new ATOM 219 N LEU A 16 0.076 -1.685 -13.678 1.00 25.00 N ATOM 220 CA LEU A 16 1.100 -2.667 -14.043 1.00 25.00 C ATOM 221 C LEU A 16 2.272 -1.955 -14.690 1.00 25.00 C ATOM 222 O LEU A 16 3.440 -2.179 -14.323 1.00 25.00 O ATOM 223 CB LEU A 16 0.481 -3.707 -15.008 1.00 25.00 C ATOM 224 CG LEU A 16 1.260 -4.994 -15.319 1.00 25.00 C ATOM 225 CD1 LEU A 16 0.291 -5.848 -16.130 1.00 25.00 C ATOM 226 CD2 LEU A 16 2.507 -4.782 -16.141 1.00 25.00 C ATOM 0 H LEU A 16 -0.793 -1.793 -14.200 1.00 25.00 H new ATOM 0 HA LEU A 16 1.461 -3.186 -13.155 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -0.486 -3.999 -14.600 1.00 25.00 H new ATOM 0 HB3 LEU A 16 0.288 -3.203 -15.955 1.00 25.00 H new ATOM 0 HG LEU A 16 1.598 -5.441 -14.384 1.00 25.00 H new ATOM 0 HD11 LEU A 16 0.770 -6.790 -16.395 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -0.601 -6.049 -15.537 1.00 25.00 H new ATOM 0 HD13 LEU A 16 0.010 -5.316 -17.039 1.00 25.00 H new ATOM 0 HD21 LEU A 16 2.996 -5.741 -16.315 1.00 25.00 H new ATOM 0 HD22 LEU A 16 2.240 -4.332 -17.097 1.00 25.00 H new ATOM 0 HD23 LEU A 16 3.187 -4.120 -15.606 1.00 25.00 H new ATOM 238 N GLU A 17 1.946 -1.087 -15.662 1.00 25.00 N ATOM 239 CA GLU A 17 2.962 -0.362 -16.429 1.00 25.00 C ATOM 240 C GLU A 17 3.804 0.475 -15.473 1.00 25.00 C ATOM 241 O GLU A 17 4.959 0.658 -15.718 1.00 25.00 O ATOM 242 CB GLU A 17 2.295 0.525 -17.483 1.00 25.00 C ATOM 243 CG GLU A 17 1.967 -0.234 -18.821 1.00 25.00 C ATOM 244 CD GLU A 17 1.580 0.713 -19.968 1.00 25.00 C ATOM 245 OE1 GLU A 17 2.354 1.647 -20.251 1.00 25.00 O ATOM 246 OE2 GLU A 17 0.499 0.532 -20.551 1.00 25.00 O ATOM 0 H GLU A 17 0.986 -0.873 -15.932 1.00 25.00 H new ATOM 0 HA GLU A 17 3.608 -1.071 -16.946 1.00 25.00 H new ATOM 0 HB2 GLU A 17 1.373 0.935 -17.071 1.00 25.00 H new ATOM 0 HB3 GLU A 17 2.949 1.369 -17.703 1.00 25.00 H new ATOM 0 HG2 GLU A 17 2.834 -0.823 -19.120 1.00 25.00 H new ATOM 0 HG3 GLU A 17 1.151 -0.935 -18.644 1.00 25.00 H new ATOM 253 N ASN A 18 3.240 0.941 -14.375 1.00 25.00 N ATOM 254 CA ASN A 18 3.997 1.787 -13.422 1.00 25.00 C ATOM 255 C ASN A 18 5.232 1.074 -12.811 1.00 25.00 C ATOM 256 O ASN A 18 6.180 1.766 -12.434 1.00 25.00 O ATOM 257 CB ASN A 18 3.044 2.323 -12.352 1.00 25.00 C ATOM 258 CG ASN A 18 3.604 3.465 -11.574 1.00 25.00 C ATOM 259 OD1 ASN A 18 4.203 3.297 -10.532 1.00 25.00 O ATOM 260 ND2 ASN A 18 3.295 4.668 -12.002 1.00 25.00 N ATOM 0 H ASN A 18 2.272 0.761 -14.107 1.00 25.00 H new ATOM 0 HA ASN A 18 4.414 2.627 -13.978 1.00 25.00 H new ATOM 0 HB2 ASN A 18 2.116 2.639 -12.829 1.00 25.00 H new ATOM 0 HB3 ASN A 18 2.791 1.515 -11.665 1.00 25.00 H new ATOM 0 HD21 ASN A 18 3.559 5.487 -11.455 1.00 25.00 H new ATOM 0 HD22 ASN A 18 2.791 4.783 -12.881 1.00 25.00 H new ATOM 267 N TYR A 19 5.242 -0.285 -12.824 1.00 25.00 N ATOM 268 CA TYR A 19 6.434 -1.066 -12.438 1.00 25.00 C ATOM 269 C TYR A 19 7.529 -0.999 -13.510 1.00 25.00 C ATOM 270 O TYR A 19 8.733 -1.040 -13.184 1.00 25.00 O ATOM 271 CB TYR A 19 6.078 -2.566 -12.314 1.00 25.00 C ATOM 272 CG TYR A 19 5.184 -2.963 -11.163 1.00 25.00 C ATOM 273 CD1 TYR A 19 5.611 -2.774 -9.807 1.00 25.00 C ATOM 274 CD2 TYR A 19 3.935 -3.585 -11.365 1.00 25.00 C ATOM 275 CE1 TYR A 19 4.837 -3.179 -8.736 1.00 25.00 C ATOM 276 CE2 TYR A 19 3.136 -3.993 -10.261 1.00 25.00 C ATOM 277 CZ TYR A 19 3.599 -3.793 -8.957 1.00 25.00 C ATOM 278 OH TYR A 19 2.884 -4.181 -7.850 1.00 25.00 O ATOM 0 H TYR A 19 4.441 -0.854 -13.097 1.00 25.00 H new ATOM 0 HA TYR A 19 6.780 -0.641 -11.496 1.00 25.00 H new ATOM 0 HB2 TYR A 19 5.597 -2.878 -13.241 1.00 25.00 H new ATOM 0 HB3 TYR A 19 7.007 -3.130 -12.232 1.00 25.00 H new ATOM 0 HD1 TYR A 19 6.564 -2.302 -9.618 1.00 25.00 H new ATOM 0 HD2 TYR A 19 3.580 -3.754 -12.371 1.00 25.00 H new ATOM 0 HE1 TYR A 19 5.188 -3.021 -7.727 1.00 25.00 H new ATOM 0 HE2 TYR A 19 2.175 -4.456 -10.430 1.00 25.00 H new ATOM 0 HH TYR A 19 2.042 -4.594 -8.133 1.00 25.00 H new ATOM 288 N CYS A 20 7.115 -0.966 -14.766 1.00 25.00 N ATOM 289 CA CYS A 20 8.030 -0.996 -15.900 1.00 25.00 C ATOM 290 C CYS A 20 8.752 0.356 -16.134 1.00 25.00 C ATOM 291 O CYS A 20 8.215 1.426 -15.862 1.00 25.00 O ATOM 292 CB CYS A 20 7.275 -1.445 -17.154 1.00 25.00 C ATOM 293 SG CYS A 20 8.176 -2.645 -18.173 1.00 25.00 S ATOM 0 H CYS A 20 6.131 -0.917 -15.031 1.00 25.00 H new ATOM 0 HA CYS A 20 8.816 -1.715 -15.670 1.00 25.00 H new ATOM 0 HB2 CYS A 20 6.323 -1.882 -16.854 1.00 25.00 H new ATOM 0 HB3 CYS A 20 7.047 -0.569 -17.761 1.00 25.00 H new ATOM 298 N ASN A 21 10.000 0.257 -16.594 1.00 25.00 N ATOM 299 CA ASN A 21 10.841 1.446 -16.816 1.00 25.00 C ATOM 300 C ASN A 21 10.739 1.863 -18.254 1.00 25.00 C ATOM 301 O ASN A 21 10.172 1.071 -19.030 1.00 25.00 O ATOM 302 CB ASN A 21 12.318 1.179 -16.401 1.00 25.00 C ATOM 303 CG ASN A 21 13.028 0.159 -17.320 1.00 25.00 C ATOM 304 OD1 ASN A 21 13.512 0.458 -18.387 1.00 25.00 O ATOM 305 ND2 ASN A 21 13.249 -1.007 -16.775 1.00 25.00 N ATOM 306 OXT ASN A 21 11.147 2.965 -18.602 1.00 25.00 O ATOM 0 H ASN A 21 10.454 -0.628 -16.821 1.00 25.00 H new ATOM 0 HA ASN A 21 10.481 2.260 -16.187 1.00 25.00 H new ATOM 0 HB2 ASN A 21 12.870 2.119 -16.416 1.00 25.00 H new ATOM 0 HB3 ASN A 21 12.341 0.813 -15.375 1.00 25.00 H new ATOM 0 HD21 ASN A 21 13.841 -1.688 -17.250 1.00 25.00 H new ATOM 0 HD22 ASN A 21 12.830 -1.237 -15.874 1.00 25.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 -3.493 -7.039 -22.485 1.00 25.00 N ATOM 315 CA PHE B 1 -3.488 -7.300 -21.020 1.00 25.00 C ATOM 316 C PHE B 1 -4.903 -7.512 -20.499 1.00 25.00 C ATOM 317 O PHE B 1 -5.746 -6.666 -20.728 1.00 25.00 O ATOM 318 CB PHE B 1 -2.921 -6.103 -20.243 1.00 25.00 C ATOM 319 CG PHE B 1 -2.983 -6.264 -18.763 1.00 25.00 C ATOM 320 CD1 PHE B 1 -2.381 -7.359 -18.162 1.00 25.00 C ATOM 321 CD2 PHE B 1 -3.666 -5.334 -18.000 1.00 25.00 C ATOM 322 CE1 PHE B 1 -2.470 -7.554 -16.820 1.00 25.00 C ATOM 323 CE2 PHE B 1 -3.788 -5.514 -16.591 1.00 25.00 C ATOM 324 CZ PHE B 1 -3.160 -6.640 -16.012 1.00 25.00 C ATOM 0 H1 PHE B 1 -2.517 -6.898 -22.816 1.00 25.00 H new ATOM 0 H2 PHE B 1 -3.913 -7.851 -22.981 1.00 25.00 H new ATOM 0 H3 PHE B 1 -4.053 -6.185 -22.684 1.00 25.00 H new ATOM 0 HA PHE B 1 -2.874 -8.188 -20.871 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -1.884 -5.948 -20.539 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -3.471 -5.205 -20.525 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -1.834 -8.066 -18.768 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -4.108 -4.469 -18.473 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -2.005 -8.420 -16.373 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.343 -4.812 -15.985 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.212 -6.796 -14.945 1.00 25.00 H new ATOM 336 N VAL B 2 -5.165 -8.599 -19.802 1.00 25.00 N ATOM 337 CA VAL B 2 -6.515 -8.834 -19.207 1.00 25.00 C ATOM 338 C VAL B 2 -6.422 -8.506 -17.737 1.00 25.00 C ATOM 339 O VAL B 2 -5.473 -8.849 -17.047 1.00 25.00 O ATOM 340 CB VAL B 2 -7.013 -10.289 -19.414 1.00 25.00 C ATOM 341 CG1 VAL B 2 -7.485 -10.473 -20.864 1.00 25.00 C ATOM 342 CG2 VAL B 2 -5.909 -11.344 -19.075 1.00 25.00 C ATOM 0 H VAL B 2 -4.487 -9.340 -19.621 1.00 25.00 H new ATOM 0 HA VAL B 2 -7.244 -8.197 -19.708 1.00 25.00 H new ATOM 0 HB VAL B 2 -7.844 -10.455 -18.728 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -7.834 -11.496 -21.006 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -8.300 -9.779 -21.072 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -6.657 -10.275 -21.544 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -6.303 -12.348 -19.235 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -5.045 -11.187 -19.721 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -5.608 -11.234 -18.033 1.00 25.00 H new ATOM 352 N ASN B 3 -7.419 -7.745 -17.282 1.00 25.00 N ATOM 353 CA ASN B 3 -7.364 -7.217 -15.915 1.00 25.00 C ATOM 354 C ASN B 3 -8.234 -8.088 -14.987 1.00 25.00 C ATOM 355 O ASN B 3 -9.441 -7.920 -14.866 1.00 25.00 O ATOM 356 CB ASN B 3 -7.906 -5.765 -15.920 1.00 25.00 C ATOM 357 CG ASN B 3 -9.272 -5.632 -16.597 1.00 25.00 C ATOM 358 OD1 ASN B 3 -9.360 -5.829 -17.806 1.00 25.00 O ATOM 359 ND2 ASN B 3 -10.279 -5.204 -15.891 1.00 25.00 N ATOM 0 H ASN B 3 -8.248 -7.486 -17.817 1.00 25.00 H new ATOM 0 HA ASN B 3 -6.335 -7.230 -15.555 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -7.981 -5.409 -14.893 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -7.191 -5.119 -16.430 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -11.176 -5.022 -16.341 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -10.171 -5.051 -14.888 1.00 25.00 H new ATOM 366 N GLN B 4 -7.624 -9.126 -14.416 1.00 25.00 N ATOM 367 CA GLN B 4 -8.419 -10.140 -13.664 1.00 25.00 C ATOM 368 C GLN B 4 -7.851 -10.576 -12.275 1.00 25.00 C ATOM 369 O GLN B 4 -7.700 -11.782 -12.051 1.00 25.00 O ATOM 370 CB GLN B 4 -8.579 -11.431 -14.525 1.00 25.00 C ATOM 371 CG GLN B 4 -9.286 -11.218 -15.865 1.00 25.00 C ATOM 372 CD GLN B 4 -9.360 -12.456 -16.735 1.00 25.00 C ATOM 373 OE1 GLN B 4 -8.935 -13.525 -16.358 1.00 25.00 O ATOM 374 NE2 GLN B 4 -9.879 -12.302 -17.943 1.00 25.00 N ATOM 0 H GLN B 4 -6.619 -9.299 -14.447 1.00 25.00 H new ATOM 0 HA GLN B 4 -9.363 -9.632 -13.465 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -7.591 -11.852 -14.713 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -9.136 -12.170 -13.949 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -10.298 -10.860 -15.676 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -8.768 -10.432 -16.415 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -10.230 -11.390 -18.235 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -9.928 -13.096 -18.582 1.00 25.00 H new ATOM 383 N HIS B 5 -7.561 -9.643 -11.349 1.00 25.00 N ATOM 384 CA HIS B 5 -7.059 -9.984 -9.976 1.00 25.00 C ATOM 385 C HIS B 5 -5.853 -10.922 -10.052 1.00 25.00 C ATOM 386 O HIS B 5 -5.911 -12.080 -9.668 1.00 25.00 O ATOM 387 CB HIS B 5 -8.107 -10.688 -9.066 1.00 25.00 C ATOM 388 CG HIS B 5 -9.161 -9.756 -8.527 1.00 25.00 C ATOM 389 ND1 HIS B 5 -10.222 -9.261 -9.249 1.00 25.00 N ATOM 390 CD2 HIS B 5 -9.320 -9.234 -7.292 1.00 25.00 C ATOM 391 CE1 HIS B 5 -10.942 -8.450 -8.444 1.00 25.00 C ATOM 392 NE2 HIS B 5 -10.432 -8.427 -7.233 1.00 25.00 N ATOM 0 H HIS B 5 -7.661 -8.641 -11.513 1.00 25.00 H new ATOM 0 HA HIS B 5 -6.806 -9.018 -9.539 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -8.592 -11.483 -9.633 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -7.591 -11.161 -8.231 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -8.660 -9.425 -6.459 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -11.816 -7.897 -8.753 1.00 25.00 H new ATOM 0 HE2 HIS B 5 -10.786 -7.919 -6.422 1.00 25.00 H new ATOM 400 N LEU B 6 -4.776 -10.461 -10.645 1.00 25.00 N ATOM 401 CA LEU B 6 -3.680 -11.361 -10.970 1.00 25.00 C ATOM 402 C LEU B 6 -2.677 -11.410 -9.817 1.00 25.00 C ATOM 403 O LEU B 6 -1.558 -10.913 -9.944 1.00 25.00 O ATOM 404 CB LEU B 6 -3.001 -10.923 -12.280 1.00 25.00 C ATOM 405 CG LEU B 6 -3.916 -10.849 -13.527 1.00 25.00 C ATOM 406 CD1 LEU B 6 -3.126 -10.395 -14.738 1.00 25.00 C ATOM 407 CD2 LEU B 6 -4.647 -12.103 -13.841 1.00 25.00 C ATOM 0 H LEU B 6 -4.630 -9.487 -10.911 1.00 25.00 H new ATOM 0 HA LEU B 6 -4.077 -12.366 -11.116 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -2.553 -9.942 -12.124 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -2.186 -11.615 -12.492 1.00 25.00 H new ATOM 0 HG LEU B 6 -4.682 -10.117 -13.273 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -3.784 -10.349 -15.605 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -2.705 -9.408 -14.549 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -2.319 -11.102 -14.932 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -5.261 -11.954 -14.729 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -3.932 -12.905 -14.025 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -5.286 -12.372 -13.000 1.00 25.00 H new ATOM 419 N CYS B 7 -3.089 -11.934 -8.658 1.00 25.00 N ATOM 420 CA CYS B 7 -2.198 -11.898 -7.433 1.00 25.00 C ATOM 421 C CYS B 7 -1.115 -12.972 -7.478 1.00 25.00 C ATOM 422 O CYS B 7 -0.058 -12.810 -6.924 1.00 25.00 O ATOM 423 CB CYS B 7 -3.012 -12.119 -6.156 1.00 25.00 C ATOM 424 SG CYS B 7 -2.113 -11.681 -4.588 1.00 25.00 S ATOM 0 H CYS B 7 -3.996 -12.379 -8.516 1.00 25.00 H new ATOM 0 HA CYS B 7 -1.734 -10.912 -7.429 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -3.925 -11.527 -6.215 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -3.313 -13.165 -6.108 1.00 25.00 H new ATOM 429 N GLY B 8 -1.472 -14.084 -8.082 1.00 25.00 N ATOM 430 CA GLY B 8 -0.590 -15.235 -8.138 1.00 25.00 C ATOM 431 C GLY B 8 0.510 -15.256 -9.141 1.00 25.00 C ATOM 432 O GLY B 8 1.013 -14.210 -9.470 1.00 25.00 O ATOM 0 H GLY B 8 -2.371 -14.218 -8.544 1.00 25.00 H new ATOM 0 HA2 GLY B 8 -0.139 -15.351 -7.153 1.00 25.00 H new ATOM 0 HA3 GLY B 8 -1.209 -16.115 -8.311 1.00 25.00 H new ATOM 436 N SER B 9 0.802 -16.419 -9.704 1.00 25.00 N ATOM 437 CA SER B 9 1.887 -16.535 -10.725 1.00 25.00 C ATOM 438 C SER B 9 1.529 -15.817 -12.016 1.00 25.00 C ATOM 439 O SER B 9 2.371 -15.591 -12.889 1.00 25.00 O ATOM 440 CB SER B 9 2.142 -18.050 -11.061 1.00 25.00 C ATOM 441 OG SER B 9 3.368 -18.216 -11.802 1.00 25.00 O ATOM 0 H SER B 9 0.324 -17.295 -9.491 1.00 25.00 H new ATOM 0 HA SER B 9 2.779 -16.074 -10.301 1.00 25.00 H new ATOM 0 HB2 SER B 9 2.190 -18.628 -10.138 1.00 25.00 H new ATOM 0 HB3 SER B 9 1.307 -18.443 -11.640 1.00 25.00 H new ATOM 0 HG SER B 9 3.491 -17.454 -12.406 1.00 25.00 H new ATOM 447 N HIS B 10 0.275 -15.423 -12.107 1.00 25.00 N ATOM 448 CA HIS B 10 -0.188 -14.714 -13.282 1.00 25.00 C ATOM 449 C HIS B 10 0.367 -13.305 -13.306 1.00 25.00 C ATOM 450 O HIS B 10 0.317 -12.616 -14.324 1.00 25.00 O ATOM 451 CB HIS B 10 -1.744 -14.628 -13.257 1.00 25.00 C ATOM 452 CG HIS B 10 -2.417 -15.965 -13.178 1.00 25.00 C ATOM 453 ND1 HIS B 10 -3.391 -16.267 -12.273 1.00 25.00 N ATOM 454 CD2 HIS B 10 -2.256 -17.090 -13.945 1.00 25.00 C ATOM 455 CE1 HIS B 10 -3.774 -17.513 -12.467 1.00 25.00 C ATOM 456 NE2 HIS B 10 -3.153 -18.062 -13.503 1.00 25.00 N ATOM 0 H HIS B 10 -0.434 -15.579 -11.391 1.00 25.00 H new ATOM 0 HA HIS B 10 0.152 -15.254 -14.166 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -2.053 -14.024 -12.404 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -2.086 -14.111 -14.154 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -1.552 -17.204 -14.756 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -4.504 -18.025 -11.857 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -3.300 -18.993 -13.892 1.00 25.00 H new ATOM 464 N LEU B 11 0.897 -12.858 -12.182 1.00 25.00 N ATOM 465 CA LEU B 11 1.504 -11.522 -12.097 1.00 25.00 C ATOM 466 C LEU B 11 2.763 -11.486 -12.925 1.00 25.00 C ATOM 467 O LEU B 11 3.056 -10.520 -13.630 1.00 25.00 O ATOM 468 CB LEU B 11 1.793 -11.220 -10.632 1.00 25.00 C ATOM 469 CG LEU B 11 2.348 -9.816 -10.368 1.00 25.00 C ATOM 470 CD1 LEU B 11 1.547 -9.182 -9.189 1.00 25.00 C ATOM 471 CD2 LEU B 11 3.816 -9.882 -9.995 1.00 25.00 C ATOM 0 H LEU B 11 0.924 -13.391 -11.313 1.00 25.00 H new ATOM 0 HA LEU B 11 0.827 -10.763 -12.489 1.00 25.00 H new ATOM 0 HB2 LEU B 11 0.874 -11.347 -10.060 1.00 25.00 H new ATOM 0 HB3 LEU B 11 2.505 -11.955 -10.257 1.00 25.00 H new ATOM 0 HG LEU B 11 2.247 -9.214 -11.271 1.00 25.00 H new ATOM 0 HD11 LEU B 11 1.929 -8.181 -8.987 1.00 25.00 H new ATOM 0 HD12 LEU B 11 0.492 -9.121 -9.457 1.00 25.00 H new ATOM 0 HD13 LEU B 11 1.660 -9.800 -8.298 1.00 25.00 H new ATOM 0 HD21 LEU B 11 4.190 -8.875 -9.812 1.00 25.00 H new ATOM 0 HD22 LEU B 11 3.936 -10.483 -9.094 1.00 25.00 H new ATOM 0 HD23 LEU B 11 4.379 -10.335 -10.811 1.00 25.00 H new ATOM 483 N VAL B 12 3.473 -12.594 -12.897 1.00 25.00 N ATOM 484 CA VAL B 12 4.702 -12.745 -13.676 1.00 25.00 C ATOM 485 C VAL B 12 4.379 -12.704 -15.190 1.00 25.00 C ATOM 486 O VAL B 12 5.085 -12.077 -15.959 1.00 25.00 O ATOM 487 CB VAL B 12 5.363 -14.096 -13.337 1.00 25.00 C ATOM 488 CG1 VAL B 12 6.794 -14.139 -13.964 1.00 25.00 C ATOM 489 CG2 VAL B 12 5.401 -14.318 -11.873 1.00 25.00 C ATOM 0 H VAL B 12 3.225 -13.413 -12.342 1.00 25.00 H new ATOM 0 HA VAL B 12 5.380 -11.928 -13.430 1.00 25.00 H new ATOM 0 HB VAL B 12 4.770 -14.905 -13.762 1.00 25.00 H new ATOM 0 HG11 VAL B 12 7.266 -15.092 -13.727 1.00 25.00 H new ATOM 0 HG12 VAL B 12 6.721 -14.029 -15.046 1.00 25.00 H new ATOM 0 HG13 VAL B 12 7.394 -13.326 -13.556 1.00 25.00 H new ATOM 0 HG21 VAL B 12 5.872 -15.278 -11.663 1.00 25.00 H new ATOM 0 HG22 VAL B 12 5.974 -13.521 -11.399 1.00 25.00 H new ATOM 0 HG23 VAL B 12 4.385 -14.318 -11.479 1.00 25.00 H new ATOM 499 N GLU B 13 3.288 -13.374 -15.582 1.00 25.00 N ATOM 500 CA GLU B 13 2.844 -13.391 -16.967 1.00 25.00 C ATOM 501 C GLU B 13 2.451 -11.999 -17.361 1.00 25.00 C ATOM 502 O GLU B 13 2.852 -11.505 -18.383 1.00 25.00 O ATOM 503 CB GLU B 13 1.668 -14.364 -17.186 1.00 25.00 C ATOM 504 CG GLU B 13 1.965 -15.877 -16.874 1.00 25.00 C ATOM 505 CD GLU B 13 0.795 -16.785 -17.247 1.00 25.00 C ATOM 506 OE1 GLU B 13 0.414 -16.781 -18.436 1.00 25.00 O ATOM 507 OE2 GLU B 13 0.293 -17.525 -16.354 1.00 25.00 O ATOM 0 H GLU B 13 2.698 -13.913 -14.948 1.00 25.00 H new ATOM 0 HA GLU B 13 3.665 -13.744 -17.591 1.00 25.00 H new ATOM 0 HB2 GLU B 13 0.833 -14.041 -16.564 1.00 25.00 H new ATOM 0 HB3 GLU B 13 1.342 -14.283 -18.223 1.00 25.00 H new ATOM 0 HG2 GLU B 13 2.854 -16.191 -17.420 1.00 25.00 H new ATOM 0 HG3 GLU B 13 2.186 -15.990 -15.813 1.00 25.00 H new ATOM 514 N ALA B 14 1.693 -11.313 -16.492 1.00 25.00 N ATOM 515 CA ALA B 14 1.206 -9.969 -16.776 1.00 25.00 C ATOM 516 C ALA B 14 2.394 -9.075 -17.133 1.00 25.00 C ATOM 517 O ALA B 14 2.436 -8.481 -18.225 1.00 25.00 O ATOM 518 CB ALA B 14 0.405 -9.446 -15.585 1.00 25.00 C ATOM 0 H ALA B 14 1.407 -11.676 -15.583 1.00 25.00 H new ATOM 0 HA ALA B 14 0.529 -9.975 -17.631 1.00 25.00 H new ATOM 0 HB1 ALA B 14 0.043 -8.441 -15.803 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -0.443 -10.105 -15.400 1.00 25.00 H new ATOM 0 HB3 ALA B 14 1.043 -9.419 -14.701 1.00 25.00 H new ATOM 524 N LEU B 15 3.370 -8.983 -16.220 1.00 25.00 N ATOM 525 CA LEU B 15 4.565 -8.130 -16.420 1.00 25.00 C ATOM 526 C LEU B 15 5.392 -8.571 -17.667 1.00 25.00 C ATOM 527 O LEU B 15 5.847 -7.737 -18.413 1.00 25.00 O ATOM 528 CB LEU B 15 5.458 -8.195 -15.190 1.00 25.00 C ATOM 529 CG LEU B 15 4.985 -7.373 -13.999 1.00 25.00 C ATOM 530 CD1 LEU B 15 5.550 -7.872 -12.683 1.00 25.00 C ATOM 531 CD2 LEU B 15 5.331 -5.919 -14.155 1.00 25.00 C ATOM 0 H LEU B 15 3.362 -9.486 -15.333 1.00 25.00 H new ATOM 0 HA LEU B 15 4.214 -7.111 -16.583 1.00 25.00 H new ATOM 0 HB2 LEU B 15 5.546 -9.236 -14.880 1.00 25.00 H new ATOM 0 HB3 LEU B 15 6.457 -7.860 -15.468 1.00 25.00 H new ATOM 0 HG LEU B 15 3.902 -7.490 -13.977 1.00 25.00 H new ATOM 0 HD11 LEU B 15 5.180 -7.249 -11.869 1.00 25.00 H new ATOM 0 HD12 LEU B 15 5.239 -8.904 -12.521 1.00 25.00 H new ATOM 0 HD13 LEU B 15 6.638 -7.822 -12.712 1.00 25.00 H new ATOM 0 HD21 LEU B 15 4.977 -5.365 -13.285 1.00 25.00 H new ATOM 0 HD22 LEU B 15 6.412 -5.809 -14.240 1.00 25.00 H new ATOM 0 HD23 LEU B 15 4.855 -5.526 -15.053 1.00 25.00 H new ATOM 543 N TYR B 16 5.510 -9.874 -17.894 1.00 25.00 N ATOM 544 CA TYR B 16 6.245 -10.419 -19.054 1.00 25.00 C ATOM 545 C TYR B 16 5.614 -9.942 -20.363 1.00 25.00 C ATOM 546 O TYR B 16 6.332 -9.612 -21.289 1.00 25.00 O ATOM 547 CB TYR B 16 6.237 -11.947 -19.018 1.00 25.00 C ATOM 548 CG TYR B 16 7.001 -12.570 -20.156 1.00 25.00 C ATOM 549 CD1 TYR B 16 8.373 -12.818 -20.072 1.00 25.00 C ATOM 550 CD2 TYR B 16 6.323 -12.882 -21.354 1.00 25.00 C ATOM 551 CE1 TYR B 16 9.080 -13.406 -21.157 1.00 25.00 C ATOM 552 CE2 TYR B 16 7.031 -13.450 -22.459 1.00 25.00 C ATOM 553 CZ TYR B 16 8.409 -13.691 -22.327 1.00 25.00 C ATOM 554 OH TYR B 16 9.055 -14.237 -23.410 1.00 25.00 O ATOM 0 H TYR B 16 5.105 -10.588 -17.289 1.00 25.00 H new ATOM 0 HA TYR B 16 7.273 -10.061 -19.001 1.00 25.00 H new ATOM 0 HB2 TYR B 16 6.665 -12.284 -18.074 1.00 25.00 H new ATOM 0 HB3 TYR B 16 5.206 -12.299 -19.045 1.00 25.00 H new ATOM 0 HD1 TYR B 16 8.905 -12.559 -19.169 1.00 25.00 H new ATOM 0 HD2 TYR B 16 5.263 -12.691 -21.437 1.00 25.00 H new ATOM 0 HE1 TYR B 16 10.133 -13.627 -21.065 1.00 25.00 H new ATOM 0 HE2 TYR B 16 6.516 -13.689 -23.378 1.00 25.00 H new ATOM 0 HH TYR B 16 8.415 -14.367 -24.141 1.00 25.00 H new ATOM 564 N LEU B 17 4.295 -9.916 -20.423 1.00 25.00 N ATOM 565 CA LEU B 17 3.557 -9.577 -21.645 1.00 25.00 C ATOM 566 C LEU B 17 3.454 -8.087 -21.927 1.00 25.00 C ATOM 567 O LEU B 17 3.584 -7.685 -23.077 1.00 25.00 O ATOM 568 CB LEU B 17 2.135 -10.109 -21.553 1.00 25.00 C ATOM 569 CG LEU B 17 1.937 -11.628 -21.760 1.00 25.00 C ATOM 570 CD1 LEU B 17 0.483 -12.078 -21.423 1.00 25.00 C ATOM 571 CD2 LEU B 17 2.329 -12.050 -23.175 1.00 25.00 C ATOM 0 H LEU B 17 3.695 -10.129 -19.626 1.00 25.00 H new ATOM 0 HA LEU B 17 4.128 -10.033 -22.454 1.00 25.00 H new ATOM 0 HB2 LEU B 17 1.738 -9.847 -20.572 1.00 25.00 H new ATOM 0 HB3 LEU B 17 1.529 -9.585 -22.292 1.00 25.00 H new ATOM 0 HG LEU B 17 2.602 -12.135 -21.061 1.00 25.00 H new ATOM 0 HD11 LEU B 17 0.388 -13.152 -21.582 1.00 25.00 H new ATOM 0 HD12 LEU B 17 0.262 -11.845 -20.381 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -0.220 -11.552 -22.069 1.00 25.00 H new ATOM 0 HD21 LEU B 17 2.179 -13.123 -23.289 1.00 25.00 H new ATOM 0 HD22 LEU B 17 1.711 -11.518 -23.898 1.00 25.00 H new ATOM 0 HD23 LEU B 17 3.378 -11.810 -23.349 1.00 25.00 H new ATOM 583 N VAL B 18 3.161 -7.303 -20.899 1.00 25.00 N ATOM 584 CA VAL B 18 3.011 -5.863 -21.041 1.00 25.00 C ATOM 585 C VAL B 18 4.396 -5.230 -21.199 1.00 25.00 C ATOM 586 O VAL B 18 4.576 -4.441 -22.096 1.00 25.00 O ATOM 587 CB VAL B 18 2.282 -5.269 -19.837 1.00 25.00 C ATOM 588 CG1 VAL B 18 2.253 -3.719 -19.850 1.00 25.00 C ATOM 589 CG2 VAL B 18 0.823 -5.835 -19.723 1.00 25.00 C ATOM 0 H VAL B 18 3.021 -7.645 -19.948 1.00 25.00 H new ATOM 0 HA VAL B 18 2.411 -5.651 -21.926 1.00 25.00 H new ATOM 0 HB VAL B 18 2.853 -5.572 -18.960 1.00 25.00 H new ATOM 0 HG11 VAL B 18 1.722 -3.358 -18.970 1.00 25.00 H new ATOM 0 HG12 VAL B 18 3.273 -3.336 -19.841 1.00 25.00 H new ATOM 0 HG13 VAL B 18 1.744 -3.372 -20.749 1.00 25.00 H new ATOM 0 HG21 VAL B 18 0.328 -5.395 -18.857 1.00 25.00 H new ATOM 0 HG22 VAL B 18 0.265 -5.586 -20.625 1.00 25.00 H new ATOM 0 HG23 VAL B 18 0.861 -6.918 -19.607 1.00 25.00 H new ATOM 599 N CYS B 19 5.371 -5.630 -20.401 1.00 25.00 N ATOM 600 CA CYS B 19 6.708 -5.059 -20.560 1.00 25.00 C ATOM 601 C CYS B 19 7.338 -5.577 -21.838 1.00 25.00 C ATOM 602 O CYS B 19 7.873 -4.806 -22.629 1.00 25.00 O ATOM 603 CB CYS B 19 7.632 -5.366 -19.380 1.00 25.00 C ATOM 604 SG CYS B 19 7.269 -4.431 -17.843 1.00 25.00 S ATOM 0 H CYS B 19 5.275 -6.323 -19.659 1.00 25.00 H new ATOM 0 HA CYS B 19 6.586 -3.977 -20.603 1.00 25.00 H new ATOM 0 HB2 CYS B 19 7.574 -6.432 -19.161 1.00 25.00 H new ATOM 0 HB3 CYS B 19 8.659 -5.158 -19.679 1.00 25.00 H new ATOM 609 N GLY B 20 7.408 -6.895 -21.998 1.00 25.00 N ATOM 610 CA GLY B 20 8.033 -7.432 -23.221 1.00 25.00 C ATOM 611 C GLY B 20 9.499 -7.134 -23.343 1.00 25.00 C ATOM 612 O GLY B 20 10.083 -7.190 -24.437 1.00 25.00 O ATOM 0 H GLY B 20 7.061 -7.589 -21.337 1.00 25.00 H new ATOM 0 HA2 GLY B 20 7.890 -8.512 -23.245 1.00 25.00 H new ATOM 0 HA3 GLY B 20 7.517 -7.023 -24.089 1.00 25.00 H new ATOM 616 N GLU B 21 10.112 -6.825 -22.200 1.00 25.00 N ATOM 617 CA GLU B 21 11.534 -6.434 -22.154 1.00 25.00 C ATOM 618 C GLU B 21 12.199 -6.793 -20.834 1.00 25.00 C ATOM 619 O GLU B 21 13.181 -6.205 -20.450 1.00 25.00 O ATOM 620 CB GLU B 21 11.663 -4.916 -22.395 1.00 25.00 C ATOM 621 CG GLU B 21 10.903 -4.119 -21.310 1.00 25.00 C ATOM 622 CD GLU B 21 11.075 -2.632 -21.369 1.00 25.00 C ATOM 623 OE1 GLU B 21 10.501 -2.006 -22.286 1.00 25.00 O ATOM 624 OE2 GLU B 21 11.821 -2.116 -20.515 1.00 25.00 O ATOM 0 H GLU B 21 9.652 -6.836 -21.290 1.00 25.00 H new ATOM 0 HA GLU B 21 12.045 -6.991 -22.939 1.00 25.00 H new ATOM 0 HB2 GLU B 21 12.715 -4.631 -22.391 1.00 25.00 H new ATOM 0 HB3 GLU B 21 11.268 -4.665 -23.380 1.00 25.00 H new ATOM 0 HG2 GLU B 21 9.841 -4.349 -21.391 1.00 25.00 H new ATOM 0 HG3 GLU B 21 11.230 -4.467 -20.330 1.00 25.00 H new ATOM 631 N ARG B 22 11.683 -7.823 -20.163 1.00 25.00 N ATOM 632 CA ARG B 22 12.178 -8.245 -18.846 1.00 25.00 C ATOM 633 C ARG B 22 12.265 -7.061 -17.843 1.00 25.00 C ATOM 634 O ARG B 22 13.236 -6.974 -17.044 1.00 25.00 O ATOM 635 CB ARG B 22 13.570 -8.925 -18.936 1.00 25.00 C ATOM 636 CG ARG B 22 13.730 -10.058 -19.943 1.00 25.00 C ATOM 637 CD ARG B 22 15.177 -10.604 -19.946 1.00 25.00 C ATOM 638 NE ARG B 22 15.371 -11.695 -20.928 1.00 25.00 N ATOM 639 CZ ARG B 22 16.560 -12.186 -21.279 1.00 25.00 C ATOM 640 NH1 ARG B 22 17.702 -11.676 -20.883 1.00 25.00 N ATOM 641 NH2 ARG B 22 16.589 -13.244 -22.048 1.00 25.00 N ATOM 0 H ARG B 22 10.911 -8.390 -20.514 1.00 25.00 H new ATOM 0 HA ARG B 22 11.449 -8.968 -18.480 1.00 25.00 H new ATOM 0 HB2 ARG B 22 14.306 -8.157 -19.173 1.00 25.00 H new ATOM 0 HB3 ARG B 22 13.820 -9.313 -17.949 1.00 25.00 H new ATOM 0 HG2 ARG B 22 13.035 -10.863 -19.702 1.00 25.00 H new ATOM 0 HG3 ARG B 22 13.471 -9.701 -20.940 1.00 25.00 H new ATOM 0 HD2 ARG B 22 15.868 -9.791 -20.170 1.00 25.00 H new ATOM 0 HD3 ARG B 22 15.426 -10.968 -18.949 1.00 25.00 H new ATOM 0 HE ARG B 22 14.541 -12.097 -21.364 1.00 25.00 H new ATOM 0 HH11 ARG B 22 17.711 -10.859 -20.273 1.00 25.00 H new ATOM 0 HH12 ARG B 22 18.581 -12.097 -21.186 1.00 25.00 H new ATOM 0 HH21 ARG B 22 15.717 -13.670 -22.362 1.00 25.00 H new ATOM 0 HH22 ARG B 22 17.483 -13.643 -22.333 1.00 25.00 H new ATOM 655 N GLY B 23 11.289 -6.163 -17.903 1.00 25.00 N ATOM 656 CA GLY B 23 11.379 -4.945 -17.071 1.00 25.00 C ATOM 657 C GLY B 23 10.861 -5.128 -15.645 1.00 25.00 C ATOM 658 O GLY B 23 10.128 -4.292 -15.133 1.00 25.00 O ATOM 0 H GLY B 23 10.457 -6.237 -18.488 1.00 25.00 H new ATOM 0 HA2 GLY B 23 12.419 -4.621 -17.030 1.00 25.00 H new ATOM 0 HA3 GLY B 23 10.815 -4.146 -17.552 1.00 25.00 H new ATOM 662 N PHE B 24 11.182 -6.276 -15.016 1.00 25.00 N ATOM 663 CA PHE B 24 10.710 -6.577 -13.662 1.00 25.00 C ATOM 664 C PHE B 24 11.715 -7.569 -13.071 1.00 25.00 C ATOM 665 O PHE B 24 12.516 -8.137 -13.794 1.00 25.00 O ATOM 666 CB PHE B 24 9.308 -7.173 -13.711 1.00 25.00 C ATOM 667 CG PHE B 24 9.211 -8.428 -14.500 1.00 25.00 C ATOM 668 CD1 PHE B 24 8.973 -8.380 -15.875 1.00 25.00 C ATOM 669 CD2 PHE B 24 9.355 -9.662 -13.882 1.00 25.00 C ATOM 670 CE1 PHE B 24 8.899 -9.581 -16.677 1.00 25.00 C ATOM 671 CE2 PHE B 24 9.237 -10.870 -14.625 1.00 25.00 C ATOM 672 CZ PHE B 24 9.049 -10.813 -16.042 1.00 25.00 C ATOM 0 H PHE B 24 11.765 -7.004 -15.428 1.00 25.00 H new ATOM 0 HA PHE B 24 10.647 -5.679 -13.048 1.00 25.00 H new ATOM 0 HB2 PHE B 24 8.972 -7.369 -12.693 1.00 25.00 H new ATOM 0 HB3 PHE B 24 8.626 -6.436 -14.135 1.00 25.00 H new ATOM 0 HD1 PHE B 24 8.841 -7.420 -16.352 1.00 25.00 H new ATOM 0 HD2 PHE B 24 9.559 -9.706 -12.822 1.00 25.00 H new ATOM 0 HE1 PHE B 24 8.732 -9.525 -17.742 1.00 25.00 H new ATOM 0 HE2 PHE B 24 9.289 -11.824 -14.122 1.00 25.00 H new ATOM 0 HZ PHE B 24 9.023 -11.725 -16.620 1.00 25.00 H new ATOM 682 N PHE B 25 11.721 -7.701 -11.747 1.00 25.00 N ATOM 683 CA PHE B 25 12.655 -8.605 -11.119 1.00 25.00 C ATOM 684 C PHE B 25 11.893 -9.602 -10.302 1.00 25.00 C ATOM 685 O PHE B 25 11.351 -9.295 -9.247 1.00 25.00 O ATOM 686 CB PHE B 25 13.675 -7.854 -10.245 1.00 25.00 C ATOM 687 CG PHE B 25 14.948 -8.553 -10.121 1.00 25.00 C ATOM 688 CD1 PHE B 25 15.000 -9.879 -9.663 1.00 25.00 C ATOM 689 CD2 PHE B 25 16.132 -7.891 -10.442 1.00 25.00 C ATOM 690 CE1 PHE B 25 16.253 -10.581 -9.564 1.00 25.00 C ATOM 691 CE2 PHE B 25 17.422 -8.566 -10.345 1.00 25.00 C ATOM 692 CZ PHE B 25 17.466 -9.906 -9.896 1.00 25.00 C ATOM 0 H PHE B 25 11.101 -7.202 -11.108 1.00 25.00 H new ATOM 0 HA PHE B 25 13.220 -9.119 -11.897 1.00 25.00 H new ATOM 0 HB2 PHE B 25 13.850 -6.866 -10.670 1.00 25.00 H new ATOM 0 HB3 PHE B 25 13.252 -7.704 -9.252 1.00 25.00 H new ATOM 0 HD1 PHE B 25 14.086 -10.380 -9.381 1.00 25.00 H new ATOM 0 HD2 PHE B 25 16.094 -6.862 -10.768 1.00 25.00 H new ATOM 0 HE1 PHE B 25 16.275 -11.611 -9.241 1.00 25.00 H new ATOM 0 HE2 PHE B 25 18.331 -8.049 -10.613 1.00 25.00 H new ATOM 0 HZ PHE B 25 18.413 -10.417 -9.805 1.00 25.00 H new HETATM 702 N NVA B 26 11.820 -10.823 -10.832 1.00 25.00 N HETATM 703 CA NVA B 26 11.271 -12.036 -10.230 1.00 25.00 C HETATM 704 CB NVA B 26 10.072 -12.678 -11.000 1.00 25.00 C HETATM 705 CG NVA B 26 8.662 -12.401 -10.340 1.00 25.00 C HETATM 706 CD NVA B 26 8.403 -13.138 -8.944 1.00 25.00 C HETATM 707 C NVA B 26 12.397 -13.061 -10.125 1.00 25.00 C HETATM 708 O NVA B 26 13.180 -13.274 -11.057 1.00 25.00 O HETATM 0 HG3 NVA B 26 8.554 -11.327 -10.190 1.00 25.00 H new HETATM 0 HG2 NVA B 26 7.885 -12.704 -11.042 1.00 25.00 H new HETATM 0 HD2 NVA B 26 9.151 -12.818 -8.219 1.00 25.00 H new HETATM 0 HD1 NVA B 26 7.409 -12.882 -8.576 1.00 25.00 H new HETATM 0 HB3 NVA B 26 10.064 -12.298 -12.022 1.00 25.00 H new HETATM 0 HB2 NVA B 26 10.228 -13.755 -11.061 1.00 25.00 H new HETATM 0 HA NVA B 26 10.869 -11.743 -9.260 1.00 25.00 H new ATOM 717 N THR B 27 12.371 -13.777 -9.017 1.00 25.00 N ATOM 718 CA THR B 27 13.208 -14.982 -8.819 1.00 25.00 C ATOM 719 C THR B 27 12.574 -16.010 -9.798 1.00 25.00 C ATOM 720 O THR B 27 11.416 -15.822 -10.229 1.00 25.00 O ATOM 721 CB THR B 27 13.129 -15.436 -7.345 1.00 25.00 C ATOM 722 OG1 THR B 27 11.812 -15.139 -6.841 1.00 25.00 O ATOM 723 CG2 THR B 27 14.124 -14.751 -6.490 1.00 25.00 C ATOM 0 H THR B 27 11.775 -13.554 -8.220 1.00 25.00 H new ATOM 0 HA THR B 27 14.270 -14.836 -9.017 1.00 25.00 H new ATOM 0 HB THR B 27 13.340 -16.505 -7.315 1.00 25.00 H new ATOM 0 HG1 THR B 27 11.748 -15.424 -5.906 1.00 25.00 H new ATOM 0 HG21 THR B 27 14.027 -15.105 -5.464 1.00 25.00 H new ATOM 0 HG22 THR B 27 15.128 -14.967 -6.855 1.00 25.00 H new ATOM 0 HG23 THR B 27 13.951 -13.675 -6.520 1.00 25.00 H new ATOM 731 N PRO B 28 13.322 -17.064 -10.176 1.00 25.00 N ATOM 732 CA PRO B 28 12.681 -17.965 -11.138 1.00 25.00 C ATOM 733 C PRO B 28 11.545 -18.741 -10.496 1.00 25.00 C ATOM 734 O PRO B 28 11.714 -19.598 -9.622 1.00 25.00 O ATOM 735 CB PRO B 28 13.813 -18.924 -11.519 1.00 25.00 C ATOM 736 CG PRO B 28 14.691 -18.909 -10.314 1.00 25.00 C ATOM 737 CD PRO B 28 14.691 -17.497 -9.834 1.00 25.00 C ATOM 0 HA PRO B 28 12.245 -17.433 -11.984 1.00 25.00 H new ATOM 0 HB2 PRO B 28 13.438 -19.925 -11.732 1.00 25.00 H new ATOM 0 HB3 PRO B 28 14.344 -18.587 -12.409 1.00 25.00 H new ATOM 0 HG2 PRO B 28 14.314 -19.584 -9.546 1.00 25.00 H new ATOM 0 HG3 PRO B 28 15.700 -19.239 -10.560 1.00 25.00 H new ATOM 0 HD2 PRO B 28 14.886 -17.429 -8.764 1.00 25.00 H new ATOM 0 HD3 PRO B 28 15.448 -16.894 -10.336 1.00 25.00 H new HETATM 745 N HIX B 29 10.307 -18.396 -10.951 1.00 25.00 N HETATM 746 CA HIX B 29 9.055 -18.910 -10.428 1.00 25.00 C HETATM 747 C HIX B 29 8.674 -20.278 -11.061 1.00 25.00 C HETATM 748 O HIX B 29 7.637 -20.483 -11.623 1.00 25.00 O HETATM 749 CB HIX B 29 7.946 -17.874 -10.629 1.00 25.00 C HETATM 750 CG HIX B 29 8.131 -16.652 -9.760 1.00 25.00 C HETATM 751 CD2 HIX B 29 8.155 -15.399 -10.152 1.00 25.00 C HETATM 752 ND1 HIX B 29 8.260 -16.667 -8.429 1.00 25.00 N HETATM 753 NE1 HIX B 29 8.222 -15.356 -7.879 1.00 25.00 N HETATM 754 NE2 HIX B 29 8.294 -14.586 -9.092 1.00 25.00 N ATOM 762 N THR B 30 9.609 -21.262 -10.898 1.00 25.00 N ATOM 763 CA THR B 30 9.491 -22.595 -11.438 1.00 25.00 C ATOM 764 C THR B 30 10.158 -23.509 -10.450 1.00 25.00 C ATOM 765 O THR B 30 10.186 -24.706 -10.674 1.00 25.00 O ATOM 766 CB THR B 30 10.116 -22.703 -12.844 1.00 25.00 C ATOM 767 OG1 THR B 30 9.851 -23.990 -13.408 1.00 25.00 O ATOM 768 CG2 THR B 30 11.609 -22.455 -12.837 1.00 25.00 C ATOM 769 OXT THR B 30 10.626 -22.954 -9.411 1.00 25.00 O ATOM 0 H THR B 30 10.471 -21.118 -10.373 1.00 25.00 H new ATOM 0 HA THR B 30 8.445 -22.871 -11.573 1.00 25.00 H new ATOM 0 HB THR B 30 9.654 -21.926 -13.453 1.00 25.00 H new ATOM 0 HG1 THR B 30 9.872 -24.668 -12.701 1.00 25.00 H new ATOM 0 HG21 THR B 30 11.997 -22.543 -13.852 1.00 25.00 H new ATOM 0 HG22 THR B 30 11.810 -21.453 -12.458 1.00 25.00 H new ATOM 0 HG23 THR B 30 12.097 -23.190 -12.197 1.00 25.00 H new TER 777 THR B 30