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 12 SER OG : rot 80:sc= 0.148 USER MOD Set 1.2: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 15 GLN : amide:sc= 1.16 K(o=1.3,f=-6.1!) USER MOD Single : A 1 GLY N :NH3+ -142:sc= 1.19 (180deg=0.373) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot 85:sc= 1.28 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0607 USER MOD Single : A 18 ASN : amide:sc= 0.847 K(o=0.85,f=0) USER MOD Single : A 19 TYR OH : rot 82:sc= -0.897 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ 146:sc= 0.0782 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.0808 K(o=-0.081,f=-4.5!) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0.0063) USER MOD Single : B 5 HIS : no HD1:sc= -0.959 K(o=-0.96,f=-2.3!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 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= 0.0598 USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.398 -2.695 0.213 1.00 25.00 N ATOM 2 CA GLY A 1 2.359 -2.166 -0.837 1.00 25.00 C ATOM 3 C GLY A 1 1.768 -2.286 -2.235 1.00 25.00 C ATOM 4 O GLY A 1 0.728 -2.797 -2.373 1.00 25.00 O ATOM 0 H1 GLY A 1 1.447 -2.096 1.062 1.00 25.00 H new ATOM 0 H2 GLY A 1 0.429 -2.681 -0.165 1.00 25.00 H new ATOM 0 H3 GLY A 1 1.659 -3.671 0.462 1.00 25.00 H new ATOM 0 HA2 GLY A 1 2.593 -1.122 -0.627 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.297 -2.719 -0.787 1.00 25.00 H new ATOM 10 N ILE A 2 2.443 -1.771 -3.257 1.00 25.00 N ATOM 11 CA ILE A 2 1.930 -1.805 -4.652 1.00 25.00 C ATOM 12 C ILE A 2 1.586 -3.204 -5.161 1.00 25.00 C ATOM 13 O ILE A 2 0.584 -3.401 -5.846 1.00 25.00 O ATOM 14 CB ILE A 2 2.931 -1.110 -5.650 1.00 25.00 C ATOM 15 CG1 ILE A 2 2.239 -0.771 -6.974 1.00 25.00 C ATOM 16 CG2 ILE A 2 4.243 -1.948 -5.862 1.00 25.00 C ATOM 17 CD1 ILE A 2 3.040 0.055 -7.960 1.00 25.00 C ATOM 0 H ILE A 2 3.353 -1.320 -3.161 1.00 25.00 H new ATOM 0 HA ILE A 2 0.995 -1.246 -4.617 1.00 25.00 H new ATOM 0 HB ILE A 2 3.245 -0.171 -5.194 1.00 25.00 H new ATOM 0 HG12 ILE A 2 1.956 -1.704 -7.461 1.00 25.00 H new ATOM 0 HG13 ILE A 2 1.316 -0.236 -6.750 1.00 25.00 H new ATOM 0 HG21 ILE A 2 4.900 -1.426 -6.558 1.00 25.00 H new ATOM 0 HG22 ILE A 2 4.753 -2.073 -4.907 1.00 25.00 H new ATOM 0 HG23 ILE A 2 3.988 -2.927 -6.268 1.00 25.00 H new ATOM 0 HD11 ILE A 2 2.445 0.229 -8.856 1.00 25.00 H new ATOM 0 HD12 ILE A 2 3.301 1.011 -7.506 1.00 25.00 H new ATOM 0 HD13 ILE A 2 3.951 -0.480 -8.228 1.00 25.00 H new ATOM 29 N VAL A 3 2.351 -4.205 -4.777 1.00 25.00 N ATOM 30 CA VAL A 3 2.087 -5.589 -5.185 1.00 25.00 C ATOM 31 C VAL A 3 0.761 -6.101 -4.695 1.00 25.00 C ATOM 32 O VAL A 3 0.018 -6.737 -5.433 1.00 25.00 O ATOM 33 CB VAL A 3 3.197 -6.509 -4.656 1.00 25.00 C ATOM 34 CG1 VAL A 3 2.996 -7.943 -4.962 1.00 25.00 C ATOM 35 CG2 VAL A 3 4.540 -6.019 -5.283 1.00 25.00 C ATOM 0 H VAL A 3 3.169 -4.095 -4.178 1.00 25.00 H new ATOM 0 HA VAL A 3 2.063 -5.593 -6.275 1.00 25.00 H new ATOM 0 HB VAL A 3 3.195 -6.445 -3.568 1.00 25.00 H new ATOM 0 HG11 VAL A 3 3.824 -8.522 -4.553 1.00 25.00 H new ATOM 0 HG12 VAL A 3 2.061 -8.283 -4.516 1.00 25.00 H new ATOM 0 HG13 VAL A 3 2.954 -8.082 -6.042 1.00 25.00 H new ATOM 0 HG21 VAL A 3 5.357 -6.649 -4.931 1.00 25.00 H new ATOM 0 HG22 VAL A 3 4.478 -6.079 -6.370 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.724 -4.986 -4.987 1.00 25.00 H new ATOM 45 N GLU A 4 0.439 -5.818 -3.441 1.00 25.00 N ATOM 46 CA GLU A 4 -0.783 -6.327 -2.788 1.00 25.00 C ATOM 47 C GLU A 4 -1.995 -5.714 -3.442 1.00 25.00 C ATOM 48 O GLU A 4 -2.953 -6.391 -3.738 1.00 25.00 O ATOM 49 CB GLU A 4 -0.754 -5.958 -1.317 1.00 25.00 C ATOM 50 CG GLU A 4 0.534 -6.417 -0.607 1.00 25.00 C ATOM 51 CD GLU A 4 0.508 -6.111 0.875 1.00 25.00 C ATOM 52 OE1 GLU A 4 -0.376 -6.567 1.587 1.00 25.00 O ATOM 53 OE2 GLU A 4 1.311 -5.247 1.282 1.00 25.00 O ATOM 0 H GLU A 4 1.012 -5.229 -2.837 1.00 25.00 H new ATOM 0 HA GLU A 4 -0.830 -7.411 -2.890 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -0.852 -4.877 -1.217 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.615 -6.403 -0.819 1.00 25.00 H new ATOM 0 HG2 GLU A 4 0.665 -7.489 -0.753 1.00 25.00 H new ATOM 0 HG3 GLU A 4 1.393 -5.926 -1.063 1.00 25.00 H new ATOM 60 N GLN A 5 -1.938 -4.398 -3.654 1.00 25.00 N ATOM 61 CA GLN A 5 -3.028 -3.673 -4.304 1.00 25.00 C ATOM 62 C GLN A 5 -3.253 -4.150 -5.708 1.00 25.00 C ATOM 63 O GLN A 5 -4.380 -4.181 -6.182 1.00 25.00 O ATOM 64 CB GLN A 5 -2.721 -2.153 -4.349 1.00 25.00 C ATOM 65 CG GLN A 5 -2.802 -1.491 -2.971 1.00 25.00 C ATOM 66 CD GLN A 5 -3.266 -0.059 -3.042 1.00 25.00 C ATOM 67 OE1 GLN A 5 -4.468 0.201 -3.060 1.00 25.00 O ATOM 68 NE2 GLN A 5 -2.343 0.871 -3.224 1.00 25.00 N ATOM 0 H GLN A 5 -1.147 -3.813 -3.384 1.00 25.00 H new ATOM 0 HA GLN A 5 -3.926 -3.860 -3.715 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -1.724 -2.000 -4.762 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -3.424 -1.665 -5.024 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -3.484 -2.059 -2.339 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -1.822 -1.528 -2.496 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -1.355 0.620 -3.203 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -2.620 1.839 -3.386 1.00 25.00 H new ATOM 77 N CYS A 6 -2.148 -4.527 -6.411 1.00 25.00 N ATOM 78 CA CYS A 6 -2.272 -5.093 -7.758 1.00 25.00 C ATOM 79 C CYS A 6 -2.828 -6.537 -7.716 1.00 25.00 C ATOM 80 O CYS A 6 -3.700 -6.916 -8.457 1.00 25.00 O ATOM 81 CB CYS A 6 -0.914 -5.029 -8.447 1.00 25.00 C ATOM 82 SG CYS A 6 -0.803 -5.454 -10.233 1.00 25.00 S ATOM 0 H CYS A 6 -1.191 -4.447 -6.067 1.00 25.00 H new ATOM 0 HA CYS A 6 -2.989 -4.506 -8.332 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -0.530 -4.016 -8.325 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -0.239 -5.693 -7.908 1.00 25.00 H new ATOM 87 N CYS A 7 -2.349 -7.374 -6.814 1.00 25.00 N ATOM 88 CA CYS A 7 -2.987 -8.678 -6.614 1.00 25.00 C ATOM 89 C CYS A 7 -4.467 -8.622 -6.289 1.00 25.00 C ATOM 90 O CYS A 7 -5.260 -9.367 -6.837 1.00 25.00 O ATOM 91 CB CYS A 7 -2.324 -9.448 -5.518 1.00 25.00 C ATOM 92 SG CYS A 7 -0.794 -10.287 -6.010 1.00 25.00 S ATOM 0 H CYS A 7 -1.542 -7.189 -6.218 1.00 25.00 H new ATOM 0 HA CYS A 7 -2.871 -9.168 -7.581 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -2.102 -8.768 -4.696 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -3.025 -10.191 -5.137 1.00 25.00 H new ATOM 97 N THR A 8 -4.860 -7.841 -5.278 1.00 25.00 N ATOM 98 CA THR A 8 -6.231 -7.878 -4.775 1.00 25.00 C ATOM 99 C THR A 8 -7.192 -7.036 -5.575 1.00 25.00 C ATOM 100 O THR A 8 -8.171 -6.514 -5.049 1.00 25.00 O ATOM 101 CB THR A 8 -6.274 -7.337 -3.324 1.00 25.00 C ATOM 102 OG1 THR A 8 -5.017 -7.622 -2.668 1.00 25.00 O ATOM 103 CG2 THR A 8 -7.374 -8.015 -2.435 1.00 25.00 C ATOM 0 H THR A 8 -4.250 -7.180 -4.796 1.00 25.00 H new ATOM 0 HA THR A 8 -6.537 -8.922 -4.844 1.00 25.00 H new ATOM 0 HB THR A 8 -6.487 -6.272 -3.415 1.00 25.00 H new ATOM 0 HG1 THR A 8 -4.372 -6.914 -2.875 1.00 25.00 H new ATOM 0 HG21 THR A 8 -7.346 -7.587 -1.433 1.00 25.00 H new ATOM 0 HG22 THR A 8 -8.356 -7.842 -2.876 1.00 25.00 H new ATOM 0 HG23 THR A 8 -7.185 -9.087 -2.377 1.00 25.00 H new ATOM 111 N SER A 9 -6.919 -6.904 -6.871 1.00 25.00 N ATOM 112 CA SER A 9 -7.782 -6.091 -7.724 1.00 25.00 C ATOM 113 C SER A 9 -7.624 -6.494 -9.161 1.00 25.00 C ATOM 114 O SER A 9 -6.745 -7.285 -9.462 1.00 25.00 O ATOM 115 CB SER A 9 -7.372 -4.589 -7.560 1.00 25.00 C ATOM 116 OG SER A 9 -8.214 -3.733 -8.300 1.00 25.00 O ATOM 0 H SER A 9 -6.127 -7.338 -7.345 1.00 25.00 H new ATOM 0 HA SER A 9 -8.822 -6.237 -7.432 1.00 25.00 H new ATOM 0 HB2 SER A 9 -7.411 -4.315 -6.506 1.00 25.00 H new ATOM 0 HB3 SER A 9 -6.341 -4.456 -7.887 1.00 25.00 H new ATOM 0 HG SER A 9 -7.930 -2.804 -8.172 1.00 25.00 H new ATOM 122 N ILE A 10 -8.475 -5.991 -10.046 1.00 25.00 N ATOM 123 CA ILE A 10 -8.267 -6.225 -11.486 1.00 25.00 C ATOM 124 C ILE A 10 -7.168 -5.208 -11.862 1.00 25.00 C ATOM 125 O ILE A 10 -7.454 -4.060 -12.158 1.00 25.00 O ATOM 126 CB ILE A 10 -9.558 -5.934 -12.330 1.00 25.00 C ATOM 127 CG1 ILE A 10 -10.753 -6.760 -11.821 1.00 25.00 C ATOM 128 CG2 ILE A 10 -9.314 -6.266 -13.855 1.00 25.00 C ATOM 129 CD1 ILE A 10 -10.661 -8.298 -11.878 1.00 25.00 C ATOM 0 H ILE A 10 -9.296 -5.433 -9.811 1.00 25.00 H new ATOM 0 HA ILE A 10 -8.006 -7.264 -11.689 1.00 25.00 H new ATOM 0 HB ILE A 10 -9.786 -4.874 -12.220 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -10.934 -6.477 -10.784 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -11.631 -6.459 -12.392 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -10.221 -6.057 -14.422 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -8.498 -5.651 -14.235 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -9.054 -7.319 -13.961 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -11.580 -8.732 -11.484 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -10.523 -8.616 -12.911 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -9.815 -8.634 -11.279 1.00 25.00 H new ATOM 141 N CYS A 11 -5.909 -5.609 -11.764 1.00 25.00 N ATOM 142 CA CYS A 11 -4.806 -4.699 -11.959 1.00 25.00 C ATOM 143 C CYS A 11 -4.859 -4.129 -13.383 1.00 25.00 C ATOM 144 O CYS A 11 -4.837 -4.864 -14.377 1.00 25.00 O ATOM 145 CB CYS A 11 -3.453 -5.356 -11.712 1.00 25.00 C ATOM 146 SG CYS A 11 -2.113 -4.245 -11.194 1.00 25.00 S ATOM 0 H CYS A 11 -5.632 -6.567 -11.549 1.00 25.00 H new ATOM 0 HA CYS A 11 -4.909 -3.898 -11.227 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -3.578 -6.124 -10.948 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -3.145 -5.863 -12.626 1.00 25.00 H new ATOM 151 N SER A 12 -4.944 -2.803 -13.482 1.00 25.00 N ATOM 152 CA SER A 12 -5.154 -2.135 -14.765 1.00 25.00 C ATOM 153 C SER A 12 -3.850 -2.049 -15.574 1.00 25.00 C ATOM 154 O SER A 12 -2.789 -2.085 -14.994 1.00 25.00 O ATOM 155 CB SER A 12 -5.690 -0.724 -14.542 1.00 25.00 C ATOM 156 OG SER A 12 -6.839 -0.773 -13.727 1.00 25.00 O ATOM 0 H SER A 12 -4.870 -2.169 -12.686 1.00 25.00 H new ATOM 0 HA SER A 12 -5.877 -2.726 -15.327 1.00 25.00 H new ATOM 0 HB2 SER A 12 -4.926 -0.105 -14.072 1.00 25.00 H new ATOM 0 HB3 SER A 12 -5.931 -0.261 -15.499 1.00 25.00 H new ATOM 0 HG SER A 12 -6.571 -0.869 -12.789 1.00 25.00 H new ATOM 162 N LEU A 13 -3.954 -1.847 -16.875 1.00 25.00 N ATOM 163 CA LEU A 13 -2.781 -1.827 -17.773 1.00 25.00 C ATOM 164 C LEU A 13 -1.701 -0.880 -17.269 1.00 25.00 C ATOM 165 O LEU A 13 -0.542 -1.224 -17.201 1.00 25.00 O ATOM 166 CB LEU A 13 -3.210 -1.381 -19.207 1.00 25.00 C ATOM 167 CG LEU A 13 -2.202 -1.350 -20.386 1.00 25.00 C ATOM 168 CD1 LEU A 13 -1.614 -2.682 -20.699 1.00 25.00 C ATOM 169 CD2 LEU A 13 -2.853 -0.751 -21.646 1.00 25.00 C ATOM 0 H LEU A 13 -4.843 -1.692 -17.351 1.00 25.00 H new ATOM 0 HA LEU A 13 -2.375 -2.838 -17.796 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -4.029 -2.033 -19.509 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -3.620 -0.375 -19.116 1.00 25.00 H new ATOM 0 HG LEU A 13 -1.380 -0.713 -20.060 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -0.919 -2.586 -21.533 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -1.083 -3.060 -19.825 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -2.410 -3.377 -20.968 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -2.128 -0.739 -22.460 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -3.712 -1.356 -21.934 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -3.181 0.267 -21.437 1.00 25.00 H new ATOM 181 N TYR A 14 -2.117 0.317 -16.960 1.00 25.00 N ATOM 182 CA TYR A 14 -1.241 1.367 -16.568 1.00 25.00 C ATOM 183 C TYR A 14 -0.675 1.130 -15.173 1.00 25.00 C ATOM 184 O TYR A 14 0.372 1.602 -14.831 1.00 25.00 O ATOM 185 CB TYR A 14 -2.006 2.693 -16.673 1.00 25.00 C ATOM 186 CG TYR A 14 -3.426 2.658 -16.086 1.00 25.00 C ATOM 187 CD1 TYR A 14 -3.657 2.767 -14.722 1.00 25.00 C ATOM 188 CD2 TYR A 14 -4.553 2.589 -16.943 1.00 25.00 C ATOM 189 CE1 TYR A 14 -4.987 2.785 -14.168 1.00 25.00 C ATOM 190 CE2 TYR A 14 -5.884 2.599 -16.385 1.00 25.00 C ATOM 191 CZ TYR A 14 -6.078 2.689 -15.005 1.00 25.00 C ATOM 192 OH TYR A 14 -7.308 2.681 -14.405 1.00 25.00 O ATOM 0 H TYR A 14 -3.100 0.588 -16.977 1.00 25.00 H new ATOM 0 HA TYR A 14 -0.377 1.401 -17.232 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -1.435 3.469 -16.163 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -2.067 2.980 -17.723 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -2.812 2.841 -14.054 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -4.416 2.529 -18.013 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -5.129 2.873 -13.101 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -6.739 2.536 -17.042 1.00 25.00 H new ATOM 0 HH TYR A 14 -8.006 2.611 -15.090 1.00 25.00 H new ATOM 202 N GLN A 15 -1.380 0.369 -14.356 1.00 25.00 N ATOM 203 CA GLN A 15 -0.893 0.083 -13.023 1.00 25.00 C ATOM 204 C GLN A 15 0.276 -0.892 -13.236 1.00 25.00 C ATOM 205 O GLN A 15 1.292 -0.743 -12.580 1.00 25.00 O ATOM 206 CB GLN A 15 -1.953 -0.555 -12.119 1.00 25.00 C ATOM 207 CG GLN A 15 -3.152 0.398 -11.755 1.00 25.00 C ATOM 208 CD GLN A 15 -4.170 -0.262 -10.834 1.00 25.00 C ATOM 209 OE1 GLN A 15 -4.977 -1.046 -11.301 1.00 25.00 O ATOM 210 NE2 GLN A 15 -4.126 0.057 -9.550 1.00 25.00 N ATOM 0 H GLN A 15 -2.278 -0.056 -14.589 1.00 25.00 H new ATOM 0 HA GLN A 15 -0.604 1.004 -12.516 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -2.347 -1.444 -12.612 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -1.475 -0.887 -11.197 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -2.764 1.297 -11.276 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -3.650 0.715 -12.671 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -3.428 0.720 -9.213 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -4.790 -0.360 -8.898 1.00 25.00 H new ATOM 219 N LEU A 16 0.178 -1.828 -14.187 1.00 25.00 N ATOM 220 CA LEU A 16 1.289 -2.711 -14.486 1.00 25.00 C ATOM 221 C LEU A 16 2.445 -1.914 -15.078 1.00 25.00 C ATOM 222 O LEU A 16 3.550 -2.074 -14.672 1.00 25.00 O ATOM 223 CB LEU A 16 0.839 -3.746 -15.478 1.00 25.00 C ATOM 224 CG LEU A 16 -0.029 -4.872 -14.906 1.00 25.00 C ATOM 225 CD1 LEU A 16 -0.632 -5.604 -16.065 1.00 25.00 C ATOM 226 CD2 LEU A 16 0.806 -5.871 -14.069 1.00 25.00 C ATOM 0 H LEU A 16 -0.656 -1.986 -14.753 1.00 25.00 H new ATOM 0 HA LEU A 16 1.623 -3.194 -13.568 1.00 25.00 H new ATOM 0 HB2 LEU A 16 0.281 -3.247 -16.270 1.00 25.00 H new ATOM 0 HB3 LEU A 16 1.721 -4.189 -15.940 1.00 25.00 H new ATOM 0 HG LEU A 16 -0.787 -4.441 -14.252 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -1.259 -6.416 -15.696 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -1.238 -4.916 -16.654 1.00 25.00 H new ATOM 0 HD13 LEU A 16 0.162 -6.014 -16.689 1.00 25.00 H new ATOM 0 HD21 LEU A 16 0.155 -6.654 -13.681 1.00 25.00 H new ATOM 0 HD22 LEU A 16 1.576 -6.318 -14.698 1.00 25.00 H new ATOM 0 HD23 LEU A 16 1.276 -5.345 -13.238 1.00 25.00 H new ATOM 238 N GLU A 17 2.132 -0.987 -15.976 1.00 25.00 N ATOM 239 CA GLU A 17 3.153 -0.162 -16.597 1.00 25.00 C ATOM 240 C GLU A 17 3.856 0.640 -15.521 1.00 25.00 C ATOM 241 O GLU A 17 5.012 0.923 -15.608 1.00 25.00 O ATOM 242 CB GLU A 17 2.570 0.803 -17.667 1.00 25.00 C ATOM 243 CG GLU A 17 2.138 0.098 -19.037 1.00 25.00 C ATOM 244 CD GLU A 17 3.358 -0.219 -19.938 1.00 25.00 C ATOM 245 OE1 GLU A 17 4.489 0.159 -19.556 1.00 25.00 O ATOM 246 OE2 GLU A 17 3.149 -0.825 -20.995 1.00 25.00 O ATOM 0 H GLU A 17 1.181 -0.791 -16.288 1.00 25.00 H new ATOM 0 HA GLU A 17 3.852 -0.824 -17.108 1.00 25.00 H new ATOM 0 HB2 GLU A 17 1.702 1.310 -17.245 1.00 25.00 H new ATOM 0 HB3 GLU A 17 3.312 1.571 -17.887 1.00 25.00 H new ATOM 0 HG2 GLU A 17 1.601 -0.825 -18.816 1.00 25.00 H new ATOM 0 HG3 GLU A 17 1.448 0.747 -19.576 1.00 25.00 H new ATOM 253 N ASN A 18 3.167 0.975 -14.451 1.00 25.00 N ATOM 254 CA ASN A 18 3.782 1.753 -13.359 1.00 25.00 C ATOM 255 C ASN A 18 4.956 1.041 -12.676 1.00 25.00 C ATOM 256 O ASN A 18 5.743 1.691 -11.984 1.00 25.00 O ATOM 257 CB ASN A 18 2.718 2.025 -12.283 1.00 25.00 C ATOM 258 CG ASN A 18 2.804 3.411 -11.734 1.00 25.00 C ATOM 259 OD1 ASN A 18 1.776 4.104 -11.579 1.00 25.00 O ATOM 260 ND2 ASN A 18 4.000 3.824 -11.367 1.00 25.00 N ATOM 0 H ASN A 18 2.188 0.731 -14.300 1.00 25.00 H new ATOM 0 HA ASN A 18 4.167 2.666 -13.813 1.00 25.00 H new ATOM 0 HB2 ASN A 18 1.727 1.866 -12.708 1.00 25.00 H new ATOM 0 HB3 ASN A 18 2.835 1.308 -11.471 1.00 25.00 H new ATOM 0 HD21 ASN A 18 4.113 4.742 -10.938 1.00 25.00 H new ATOM 0 HD22 ASN A 18 4.813 3.225 -11.512 1.00 25.00 H new ATOM 267 N TYR A 19 5.025 -0.271 -12.803 1.00 25.00 N ATOM 268 CA TYR A 19 6.098 -1.038 -12.232 1.00 25.00 C ATOM 269 C TYR A 19 7.338 -0.956 -13.107 1.00 25.00 C ATOM 270 O TYR A 19 8.426 -1.195 -12.620 1.00 25.00 O ATOM 271 CB TYR A 19 5.780 -2.525 -12.160 1.00 25.00 C ATOM 272 CG TYR A 19 4.843 -2.993 -11.072 1.00 25.00 C ATOM 273 CD1 TYR A 19 3.461 -2.776 -11.200 1.00 25.00 C ATOM 274 CD2 TYR A 19 5.375 -3.687 -9.968 1.00 25.00 C ATOM 275 CE1 TYR A 19 2.567 -3.245 -10.211 1.00 25.00 C ATOM 276 CE2 TYR A 19 4.512 -4.175 -8.967 1.00 25.00 C ATOM 277 CZ TYR A 19 3.106 -3.909 -9.100 1.00 25.00 C ATOM 278 OH TYR A 19 2.223 -4.325 -8.128 1.00 25.00 O ATOM 0 H TYR A 19 4.335 -0.828 -13.307 1.00 25.00 H new ATOM 0 HA TYR A 19 6.248 -0.620 -11.237 1.00 25.00 H new ATOM 0 HB2 TYR A 19 5.356 -2.824 -13.119 1.00 25.00 H new ATOM 0 HB3 TYR A 19 6.721 -3.064 -12.046 1.00 25.00 H new ATOM 0 HD1 TYR A 19 3.079 -2.247 -12.060 1.00 25.00 H new ATOM 0 HD2 TYR A 19 6.441 -3.845 -9.889 1.00 25.00 H new ATOM 0 HE1 TYR A 19 1.502 -3.097 -10.308 1.00 25.00 H new ATOM 0 HE2 TYR A 19 4.896 -4.732 -8.125 1.00 25.00 H new ATOM 0 HH TYR A 19 1.817 -5.176 -8.397 1.00 25.00 H new ATOM 288 N CYS A 20 7.117 -0.818 -14.413 1.00 25.00 N ATOM 289 CA CYS A 20 8.142 -0.977 -15.413 1.00 25.00 C ATOM 290 C CYS A 20 9.142 0.168 -15.464 1.00 25.00 C ATOM 291 O CYS A 20 8.896 1.267 -15.098 1.00 25.00 O ATOM 292 CB CYS A 20 7.541 -1.305 -16.777 1.00 25.00 C ATOM 293 SG CYS A 20 6.284 -2.658 -16.681 1.00 25.00 S ATOM 0 H CYS A 20 6.202 -0.589 -14.801 1.00 25.00 H new ATOM 0 HA CYS A 20 8.736 -1.837 -15.104 1.00 25.00 H new ATOM 0 HB2 CYS A 20 7.078 -0.410 -17.192 1.00 25.00 H new ATOM 0 HB3 CYS A 20 8.337 -1.599 -17.461 1.00 25.00 H new ATOM 298 N ASN A 21 10.377 -0.174 -15.866 1.00 25.00 N ATOM 299 CA ASN A 21 11.459 0.772 -15.720 1.00 25.00 C ATOM 300 C ASN A 21 11.422 1.713 -16.903 1.00 25.00 C ATOM 301 O ASN A 21 11.017 1.246 -18.001 1.00 25.00 O ATOM 302 CB ASN A 21 12.799 0.058 -15.655 1.00 25.00 C ATOM 303 CG ASN A 21 12.837 -1.011 -14.631 1.00 25.00 C ATOM 304 OD1 ASN A 21 12.901 -2.188 -14.956 1.00 25.00 O ATOM 305 ND2 ASN A 21 12.785 -0.631 -13.373 1.00 25.00 N ATOM 306 OXT ASN A 21 11.919 2.820 -16.746 1.00 25.00 O ATOM 0 H ASN A 21 10.632 -1.071 -16.279 1.00 25.00 H new ATOM 0 HA ASN A 21 11.339 1.328 -14.790 1.00 25.00 H new ATOM 0 HB2 ASN A 21 13.022 -0.373 -16.631 1.00 25.00 H new ATOM 0 HB3 ASN A 21 13.582 0.786 -15.442 1.00 25.00 H new ATOM 0 HD21 ASN A 21 12.797 -1.328 -12.629 1.00 25.00 H new ATOM 0 HD22 ASN A 21 12.732 0.361 -13.142 1.00 25.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 -2.025 -8.820 -22.717 1.00 25.00 N ATOM 315 CA PHE B 1 -2.578 -8.722 -21.316 1.00 25.00 C ATOM 316 C PHE B 1 -4.057 -8.917 -21.311 1.00 25.00 C ATOM 317 O PHE B 1 -4.657 -8.559 -22.291 1.00 25.00 O ATOM 318 CB PHE B 1 -2.232 -7.374 -20.723 1.00 25.00 C ATOM 319 CG PHE B 1 -2.688 -7.221 -19.288 1.00 25.00 C ATOM 320 CD1 PHE B 1 -2.348 -8.222 -18.351 1.00 25.00 C ATOM 321 CD2 PHE B 1 -3.461 -6.127 -18.900 1.00 25.00 C ATOM 322 CE1 PHE B 1 -2.792 -8.147 -17.035 1.00 25.00 C ATOM 323 CE2 PHE B 1 -3.914 -5.985 -17.580 1.00 25.00 C ATOM 324 CZ PHE B 1 -3.584 -7.019 -16.680 1.00 25.00 C ATOM 0 H1 PHE B 1 -1.220 -8.169 -22.819 1.00 25.00 H new ATOM 0 H2 PHE B 1 -1.708 -9.794 -22.898 1.00 25.00 H new ATOM 0 H3 PHE B 1 -2.766 -8.565 -23.401 1.00 25.00 H new ATOM 0 HA PHE B 1 -2.129 -9.510 -20.712 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -1.153 -7.228 -20.772 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -2.687 -6.590 -21.328 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -1.736 -9.056 -18.660 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -3.716 -5.374 -19.631 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -2.546 -8.912 -16.313 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.488 -5.125 -17.268 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.952 -6.951 -15.667 1.00 25.00 H new ATOM 336 N VAL B 2 -4.615 -9.507 -20.262 1.00 25.00 N ATOM 337 CA VAL B 2 -6.046 -9.762 -20.129 1.00 25.00 C ATOM 338 C VAL B 2 -6.477 -9.307 -18.712 1.00 25.00 C ATOM 339 O VAL B 2 -5.655 -9.357 -17.787 1.00 25.00 O ATOM 340 CB VAL B 2 -6.375 -11.258 -20.429 1.00 25.00 C ATOM 341 CG1 VAL B 2 -5.831 -12.220 -19.350 1.00 25.00 C ATOM 342 CG2 VAL B 2 -7.866 -11.445 -20.641 1.00 25.00 C ATOM 0 H VAL B 2 -4.073 -9.830 -19.460 1.00 25.00 H new ATOM 0 HA VAL B 2 -6.617 -9.193 -20.862 1.00 25.00 H new ATOM 0 HB VAL B 2 -5.859 -11.519 -21.353 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -6.090 -13.246 -19.613 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -4.747 -12.124 -19.290 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -6.271 -11.970 -18.385 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -8.075 -12.494 -20.849 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -8.402 -11.139 -19.743 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -8.193 -10.836 -21.484 1.00 25.00 H new ATOM 352 N ASN B 3 -7.680 -8.790 -18.547 1.00 25.00 N ATOM 353 CA ASN B 3 -8.131 -8.270 -17.233 1.00 25.00 C ATOM 354 C ASN B 3 -8.621 -9.355 -16.311 1.00 25.00 C ATOM 355 O ASN B 3 -9.690 -9.976 -16.506 1.00 25.00 O ATOM 356 CB ASN B 3 -9.217 -7.240 -17.445 1.00 25.00 C ATOM 357 CG ASN B 3 -10.459 -7.829 -18.126 1.00 25.00 C ATOM 358 OD1 ASN B 3 -10.381 -8.409 -19.199 1.00 25.00 O ATOM 359 ND2 ASN B 3 -11.612 -7.625 -17.538 1.00 25.00 N ATOM 0 H ASN B 3 -8.373 -8.711 -19.292 1.00 25.00 H new ATOM 0 HA ASN B 3 -7.267 -7.815 -16.750 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -9.502 -6.813 -16.483 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -8.826 -6.424 -18.052 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -12.473 -7.953 -17.976 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -11.649 -7.138 -16.642 1.00 25.00 H new ATOM 366 N GLN B 4 -7.843 -9.594 -15.260 1.00 25.00 N ATOM 367 CA GLN B 4 -8.223 -10.532 -14.192 1.00 25.00 C ATOM 368 C GLN B 4 -7.455 -10.198 -12.907 1.00 25.00 C ATOM 369 O GLN B 4 -6.519 -9.375 -12.959 1.00 25.00 O ATOM 370 CB GLN B 4 -7.860 -11.958 -14.638 1.00 25.00 C ATOM 371 CG GLN B 4 -8.643 -13.022 -13.994 1.00 25.00 C ATOM 372 CD GLN B 4 -9.714 -13.618 -14.858 1.00 25.00 C ATOM 373 OE1 GLN B 4 -10.503 -12.918 -15.440 1.00 25.00 O ATOM 374 NE2 GLN B 4 -9.791 -14.927 -14.917 1.00 25.00 N ATOM 0 H GLN B 4 -6.936 -9.150 -15.118 1.00 25.00 H new ATOM 0 HA GLN B 4 -9.293 -10.454 -14.000 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -7.992 -12.031 -15.717 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -6.803 -12.130 -14.434 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -7.965 -13.815 -13.680 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -9.104 -12.621 -13.091 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -9.112 -15.501 -14.416 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -10.529 -15.370 -15.463 1.00 25.00 H new ATOM 383 N HIS B 5 -7.797 -10.802 -11.795 1.00 25.00 N ATOM 384 CA HIS B 5 -6.982 -10.669 -10.570 1.00 25.00 C ATOM 385 C HIS B 5 -5.670 -11.441 -10.872 1.00 25.00 C ATOM 386 O HIS B 5 -5.710 -12.399 -11.669 1.00 25.00 O ATOM 387 CB HIS B 5 -7.679 -11.244 -9.362 1.00 25.00 C ATOM 388 CG HIS B 5 -8.634 -10.300 -8.675 1.00 25.00 C ATOM 389 ND1 HIS B 5 -9.799 -9.839 -9.209 1.00 25.00 N ATOM 390 CD2 HIS B 5 -8.607 -9.792 -7.418 1.00 25.00 C ATOM 391 CE1 HIS B 5 -10.399 -9.060 -8.337 1.00 25.00 C ATOM 392 NE2 HIS B 5 -9.683 -8.952 -7.230 1.00 25.00 N ATOM 0 H HIS B 5 -8.624 -11.390 -11.693 1.00 25.00 H new ATOM 0 HA HIS B 5 -6.800 -9.622 -10.329 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -8.227 -12.136 -9.666 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -6.925 -11.563 -8.643 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -7.855 -10.013 -6.675 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -11.349 -8.573 -8.502 1.00 25.00 H new ATOM 0 HE2 HIS B 5 -9.884 -8.373 -6.415 1.00 25.00 H new ATOM 400 N LEU B 6 -4.532 -11.020 -10.307 1.00 25.00 N ATOM 401 CA LEU B 6 -3.203 -11.505 -10.748 1.00 25.00 C ATOM 402 C LEU B 6 -2.323 -12.275 -9.732 1.00 25.00 C ATOM 403 O LEU B 6 -1.216 -12.696 -10.046 1.00 25.00 O ATOM 404 CB LEU B 6 -2.439 -10.279 -11.218 1.00 25.00 C ATOM 405 CG LEU B 6 -2.200 -10.053 -12.695 1.00 25.00 C ATOM 406 CD1 LEU B 6 -3.268 -10.686 -13.611 1.00 25.00 C ATOM 407 CD2 LEU B 6 -2.202 -8.575 -12.953 1.00 25.00 C ATOM 0 H LEU B 6 -4.497 -10.345 -9.543 1.00 25.00 H new ATOM 0 HA LEU B 6 -3.409 -12.258 -11.509 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -2.966 -9.404 -10.838 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -1.464 -10.300 -10.732 1.00 25.00 H new ATOM 0 HG LEU B 6 -1.248 -10.529 -12.930 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -3.023 -10.478 -14.653 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -3.291 -11.764 -13.452 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -4.245 -10.264 -13.377 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -2.031 -8.391 -14.014 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -3.166 -8.156 -12.663 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -1.411 -8.103 -12.371 1.00 25.00 H new ATOM 419 N CYS B 7 -2.756 -12.435 -8.498 1.00 25.00 N ATOM 420 CA CYS B 7 -1.922 -13.157 -7.533 1.00 25.00 C ATOM 421 C CYS B 7 -1.910 -14.635 -7.868 1.00 25.00 C ATOM 422 O CYS B 7 -2.840 -15.151 -8.513 1.00 25.00 O ATOM 423 CB CYS B 7 -2.428 -12.910 -6.098 1.00 25.00 C ATOM 424 SG CYS B 7 -1.087 -12.113 -5.129 1.00 25.00 S ATOM 0 H CYS B 7 -3.647 -12.092 -8.139 1.00 25.00 H new ATOM 0 HA CYS B 7 -0.899 -12.786 -7.592 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -3.312 -12.273 -6.114 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -2.721 -13.851 -5.634 1.00 25.00 H new ATOM 429 N GLY B 8 -0.872 -15.341 -7.438 1.00 25.00 N ATOM 430 CA GLY B 8 -0.783 -16.752 -7.833 1.00 25.00 C ATOM 431 C GLY B 8 -0.132 -16.889 -9.225 1.00 25.00 C ATOM 432 O GLY B 8 -0.668 -17.564 -10.121 1.00 25.00 O ATOM 0 H GLY B 8 -0.116 -14.992 -6.849 1.00 25.00 H new ATOM 0 HA2 GLY B 8 -0.199 -17.305 -7.097 1.00 25.00 H new ATOM 0 HA3 GLY B 8 -1.779 -17.194 -7.847 1.00 25.00 H new ATOM 436 N SER B 9 1.053 -16.274 -9.373 1.00 25.00 N ATOM 437 CA SER B 9 1.913 -16.365 -10.567 1.00 25.00 C ATOM 438 C SER B 9 1.447 -15.690 -11.863 1.00 25.00 C ATOM 439 O SER B 9 2.294 -15.329 -12.686 1.00 25.00 O ATOM 440 CB SER B 9 2.330 -17.825 -10.843 1.00 25.00 C ATOM 441 OG SER B 9 3.113 -18.291 -9.721 1.00 25.00 O ATOM 0 H SER B 9 1.452 -15.682 -8.644 1.00 25.00 H new ATOM 0 HA SER B 9 2.764 -15.752 -10.272 1.00 25.00 H new ATOM 0 HB2 SER B 9 1.449 -18.453 -10.979 1.00 25.00 H new ATOM 0 HB3 SER B 9 2.910 -17.887 -11.763 1.00 25.00 H new ATOM 0 HG SER B 9 3.387 -19.219 -9.876 1.00 25.00 H new ATOM 447 N HIS B 10 0.181 -15.343 -11.979 1.00 25.00 N ATOM 448 CA HIS B 10 -0.270 -14.576 -13.157 1.00 25.00 C ATOM 449 C HIS B 10 0.332 -13.191 -13.203 1.00 25.00 C ATOM 450 O HIS B 10 0.348 -12.542 -14.201 1.00 25.00 O ATOM 451 CB HIS B 10 -1.750 -14.466 -13.202 1.00 25.00 C ATOM 452 CG HIS B 10 -2.470 -15.789 -13.444 1.00 25.00 C ATOM 453 ND1 HIS B 10 -3.240 -16.473 -12.530 1.00 25.00 N ATOM 454 CD2 HIS B 10 -2.573 -16.540 -14.585 1.00 25.00 C ATOM 455 CE1 HIS B 10 -3.746 -17.536 -13.111 1.00 25.00 C ATOM 456 NE2 HIS B 10 -3.396 -17.629 -14.372 1.00 25.00 N ATOM 0 H HIS B 10 -0.548 -15.565 -11.301 1.00 25.00 H new ATOM 0 HA HIS B 10 0.076 -15.133 -14.028 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -2.100 -14.042 -12.261 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -2.027 -13.765 -13.990 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -2.081 -16.313 -15.519 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -4.379 -18.253 -12.608 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -3.670 -18.345 -15.045 1.00 25.00 H new ATOM 464 N LEU B 11 0.856 -12.730 -12.067 1.00 25.00 N ATOM 465 CA LEU B 11 1.509 -11.451 -11.979 1.00 25.00 C ATOM 466 C LEU B 11 2.781 -11.361 -12.824 1.00 25.00 C ATOM 467 O LEU B 11 3.123 -10.301 -13.437 1.00 25.00 O ATOM 468 CB LEU B 11 1.848 -11.205 -10.503 1.00 25.00 C ATOM 469 CG LEU B 11 2.397 -9.809 -10.144 1.00 25.00 C ATOM 470 CD1 LEU B 11 1.364 -8.731 -10.410 1.00 25.00 C ATOM 471 CD2 LEU B 11 2.753 -9.805 -8.647 1.00 25.00 C ATOM 0 H LEU B 11 0.832 -13.245 -11.187 1.00 25.00 H new ATOM 0 HA LEU B 11 0.832 -10.693 -12.373 1.00 25.00 H new ATOM 0 HB2 LEU B 11 0.948 -11.379 -9.913 1.00 25.00 H new ATOM 0 HB3 LEU B 11 2.581 -11.950 -10.193 1.00 25.00 H new ATOM 0 HG LEU B 11 3.273 -9.601 -10.758 1.00 25.00 H new ATOM 0 HD11 LEU B 11 1.778 -7.757 -10.148 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.094 -8.738 -11.466 1.00 25.00 H new ATOM 0 HD13 LEU B 11 0.476 -8.921 -9.807 1.00 25.00 H new ATOM 0 HD21 LEU B 11 3.144 -8.826 -8.369 1.00 25.00 H new ATOM 0 HD22 LEU B 11 1.860 -10.019 -8.060 1.00 25.00 H new ATOM 0 HD23 LEU B 11 3.508 -10.567 -8.450 1.00 25.00 H new ATOM 483 N VAL B 12 3.456 -12.500 -12.868 1.00 25.00 N ATOM 484 CA VAL B 12 4.662 -12.619 -13.627 1.00 25.00 C ATOM 485 C VAL B 12 4.240 -12.540 -15.095 1.00 25.00 C ATOM 486 O VAL B 12 4.883 -11.875 -15.922 1.00 25.00 O ATOM 487 CB VAL B 12 5.383 -13.965 -13.338 1.00 25.00 C ATOM 488 CG1 VAL B 12 6.834 -13.949 -14.058 1.00 25.00 C ATOM 489 CG2 VAL B 12 5.560 -14.163 -11.836 1.00 25.00 C ATOM 0 H VAL B 12 3.176 -13.351 -12.380 1.00 25.00 H new ATOM 0 HA VAL B 12 5.368 -11.831 -13.365 1.00 25.00 H new ATOM 0 HB VAL B 12 4.781 -14.786 -13.728 1.00 25.00 H new ATOM 0 HG11 VAL B 12 7.348 -14.890 -13.861 1.00 25.00 H new ATOM 0 HG12 VAL B 12 6.705 -13.824 -15.133 1.00 25.00 H new ATOM 0 HG13 VAL B 12 7.426 -13.123 -13.665 1.00 25.00 H new ATOM 0 HG21 VAL B 12 6.066 -15.110 -11.651 1.00 25.00 H new ATOM 0 HG22 VAL B 12 6.157 -13.347 -11.429 1.00 25.00 H new ATOM 0 HG23 VAL B 12 4.583 -14.174 -11.353 1.00 25.00 H new ATOM 499 N GLU B 13 3.193 -13.273 -15.416 1.00 25.00 N ATOM 500 CA GLU B 13 2.729 -13.356 -16.799 1.00 25.00 C ATOM 501 C GLU B 13 2.293 -11.949 -17.288 1.00 25.00 C ATOM 502 O GLU B 13 2.645 -11.501 -18.365 1.00 25.00 O ATOM 503 CB GLU B 13 1.550 -14.330 -16.948 1.00 25.00 C ATOM 504 CG GLU B 13 1.868 -15.800 -16.565 1.00 25.00 C ATOM 505 CD GLU B 13 0.694 -16.755 -16.804 1.00 25.00 C ATOM 506 OE1 GLU B 13 -0.333 -16.355 -17.394 1.00 25.00 O ATOM 507 OE2 GLU B 13 0.803 -17.912 -16.310 1.00 25.00 O ATOM 0 H GLU B 13 2.647 -13.818 -14.749 1.00 25.00 H new ATOM 0 HA GLU B 13 3.556 -13.729 -17.404 1.00 25.00 H new ATOM 0 HB2 GLU B 13 0.726 -13.978 -16.328 1.00 25.00 H new ATOM 0 HB3 GLU B 13 1.205 -14.305 -17.982 1.00 25.00 H new ATOM 0 HG2 GLU B 13 2.728 -16.141 -17.142 1.00 25.00 H new ATOM 0 HG3 GLU B 13 2.153 -15.841 -15.514 1.00 25.00 H new ATOM 514 N ALA B 14 1.554 -11.207 -16.419 1.00 25.00 N ATOM 515 CA ALA B 14 1.039 -9.890 -16.768 1.00 25.00 C ATOM 516 C ALA B 14 2.149 -8.942 -17.115 1.00 25.00 C ATOM 517 O ALA B 14 2.100 -8.326 -18.188 1.00 25.00 O ATOM 518 CB ALA B 14 0.177 -9.351 -15.628 1.00 25.00 C ATOM 0 H ALA B 14 1.312 -11.514 -15.477 1.00 25.00 H new ATOM 0 HA ALA B 14 0.416 -9.985 -17.657 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -0.205 -8.366 -15.895 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -0.658 -10.029 -15.452 1.00 25.00 H new ATOM 0 HB3 ALA B 14 0.779 -9.273 -14.722 1.00 25.00 H new ATOM 524 N LEU B 15 3.120 -8.840 -16.258 1.00 25.00 N ATOM 525 CA LEU B 15 4.282 -7.968 -16.511 1.00 25.00 C ATOM 526 C LEU B 15 5.197 -8.456 -17.659 1.00 25.00 C ATOM 527 O LEU B 15 5.806 -7.660 -18.370 1.00 25.00 O ATOM 528 CB LEU B 15 5.099 -7.761 -15.243 1.00 25.00 C ATOM 529 CG LEU B 15 4.418 -6.907 -14.156 1.00 25.00 C ATOM 530 CD1 LEU B 15 5.065 -7.208 -12.838 1.00 25.00 C ATOM 531 CD2 LEU B 15 4.483 -5.425 -14.443 1.00 25.00 C ATOM 0 H LEU B 15 3.153 -9.341 -15.370 1.00 25.00 H new ATOM 0 HA LEU B 15 3.862 -7.016 -16.835 1.00 25.00 H new ATOM 0 HB2 LEU B 15 5.337 -8.737 -14.820 1.00 25.00 H new ATOM 0 HB3 LEU B 15 6.045 -7.291 -15.512 1.00 25.00 H new ATOM 0 HG LEU B 15 3.360 -7.168 -14.138 1.00 25.00 H new ATOM 0 HD11 LEU B 15 4.594 -6.611 -12.057 1.00 25.00 H new ATOM 0 HD12 LEU B 15 4.946 -8.267 -12.607 1.00 25.00 H new ATOM 0 HD13 LEU B 15 6.126 -6.965 -12.890 1.00 25.00 H new ATOM 0 HD21 LEU B 15 3.987 -4.877 -13.642 1.00 25.00 H new ATOM 0 HD22 LEU B 15 5.525 -5.112 -14.505 1.00 25.00 H new ATOM 0 HD23 LEU B 15 3.984 -5.215 -15.389 1.00 25.00 H new ATOM 543 N TYR B 16 5.290 -9.760 -17.885 1.00 25.00 N ATOM 544 CA TYR B 16 6.071 -10.287 -19.011 1.00 25.00 C ATOM 545 C TYR B 16 5.391 -9.892 -20.311 1.00 25.00 C ATOM 546 O TYR B 16 6.014 -9.598 -21.328 1.00 25.00 O ATOM 547 CB TYR B 16 6.227 -11.835 -18.934 1.00 25.00 C ATOM 548 CG TYR B 16 7.189 -12.339 -20.007 1.00 25.00 C ATOM 549 CD1 TYR B 16 8.530 -11.944 -20.001 1.00 25.00 C ATOM 550 CD2 TYR B 16 6.696 -13.152 -21.120 1.00 25.00 C ATOM 551 CE1 TYR B 16 9.387 -12.312 -21.008 1.00 25.00 C ATOM 552 CE2 TYR B 16 7.551 -13.574 -22.130 1.00 25.00 C ATOM 553 CZ TYR B 16 8.921 -13.138 -22.067 1.00 25.00 C ATOM 554 OH TYR B 16 9.764 -13.479 -23.098 1.00 25.00 O ATOM 0 H TYR B 16 4.840 -10.473 -17.311 1.00 25.00 H new ATOM 0 HA TYR B 16 7.073 -9.860 -18.966 1.00 25.00 H new ATOM 0 HB2 TYR B 16 6.594 -12.119 -17.948 1.00 25.00 H new ATOM 0 HB3 TYR B 16 5.254 -12.309 -19.060 1.00 25.00 H new ATOM 0 HD1 TYR B 16 8.899 -11.337 -19.188 1.00 25.00 H new ATOM 0 HD2 TYR B 16 5.652 -13.428 -21.156 1.00 25.00 H new ATOM 0 HE1 TYR B 16 10.413 -11.975 -20.996 1.00 25.00 H new ATOM 0 HE2 TYR B 16 7.201 -14.206 -22.933 1.00 25.00 H new ATOM 0 HH TYR B 16 9.286 -14.049 -23.736 1.00 25.00 H new ATOM 564 N LEU B 17 4.062 -9.882 -20.242 1.00 25.00 N ATOM 565 CA LEU B 17 3.276 -9.558 -21.429 1.00 25.00 C ATOM 566 C LEU B 17 3.126 -8.033 -21.718 1.00 25.00 C ATOM 567 O LEU B 17 2.995 -7.645 -22.838 1.00 25.00 O ATOM 568 CB LEU B 17 1.885 -10.134 -21.317 1.00 25.00 C ATOM 569 CG LEU B 17 1.778 -11.670 -21.499 1.00 25.00 C ATOM 570 CD1 LEU B 17 0.363 -12.174 -21.054 1.00 25.00 C ATOM 571 CD2 LEU B 17 2.058 -12.130 -22.906 1.00 25.00 C ATOM 0 H LEU B 17 3.520 -10.088 -19.403 1.00 25.00 H new ATOM 0 HA LEU B 17 3.838 -9.998 -22.253 1.00 25.00 H new ATOM 0 HB2 LEU B 17 1.481 -9.873 -20.339 1.00 25.00 H new ATOM 0 HB3 LEU B 17 1.251 -9.653 -22.062 1.00 25.00 H new ATOM 0 HG LEU B 17 2.551 -12.103 -20.864 1.00 25.00 H new ATOM 0 HD11 LEU B 17 0.303 -13.254 -21.188 1.00 25.00 H new ATOM 0 HD12 LEU B 17 0.203 -11.929 -20.004 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -0.403 -11.690 -21.660 1.00 25.00 H new ATOM 0 HD21 LEU B 17 1.965 -13.215 -22.959 1.00 25.00 H new ATOM 0 HD22 LEU B 17 1.343 -11.671 -23.588 1.00 25.00 H new ATOM 0 HD23 LEU B 17 3.069 -11.838 -23.190 1.00 25.00 H new ATOM 583 N VAL B 18 3.116 -7.223 -20.657 1.00 25.00 N ATOM 584 CA VAL B 18 2.999 -5.779 -20.815 1.00 25.00 C ATOM 585 C VAL B 18 4.365 -5.141 -20.955 1.00 25.00 C ATOM 586 O VAL B 18 4.550 -4.269 -21.773 1.00 25.00 O ATOM 587 CB VAL B 18 2.265 -5.134 -19.556 1.00 25.00 C ATOM 588 CG1 VAL B 18 2.227 -3.614 -19.567 1.00 25.00 C ATOM 589 CG2 VAL B 18 0.793 -5.612 -19.587 1.00 25.00 C ATOM 0 H VAL B 18 3.187 -7.542 -19.691 1.00 25.00 H new ATOM 0 HA VAL B 18 2.415 -5.595 -21.717 1.00 25.00 H new ATOM 0 HB VAL B 18 2.822 -5.444 -18.672 1.00 25.00 H new ATOM 0 HG11 VAL B 18 1.711 -3.256 -18.676 1.00 25.00 H new ATOM 0 HG12 VAL B 18 3.245 -3.225 -19.577 1.00 25.00 H new ATOM 0 HG13 VAL B 18 1.698 -3.270 -20.456 1.00 25.00 H new ATOM 0 HG21 VAL B 18 0.255 -5.190 -18.738 1.00 25.00 H new ATOM 0 HG22 VAL B 18 0.323 -5.283 -20.514 1.00 25.00 H new ATOM 0 HG23 VAL B 18 0.763 -6.700 -19.531 1.00 25.00 H new ATOM 599 N CYS B 19 5.347 -5.629 -20.232 1.00 25.00 N ATOM 600 CA CYS B 19 6.680 -5.060 -20.345 1.00 25.00 C ATOM 601 C CYS B 19 7.810 -5.968 -20.687 1.00 25.00 C ATOM 602 O CYS B 19 8.778 -5.453 -21.189 1.00 25.00 O ATOM 603 CB CYS B 19 7.060 -4.288 -19.060 1.00 25.00 C ATOM 604 SG CYS B 19 5.812 -3.063 -18.605 1.00 25.00 S ATOM 0 H CYS B 19 5.258 -6.401 -19.572 1.00 25.00 H new ATOM 0 HA CYS B 19 6.568 -4.416 -21.217 1.00 25.00 H new ATOM 0 HB2 CYS B 19 7.190 -4.994 -18.239 1.00 25.00 H new ATOM 0 HB3 CYS B 19 8.018 -3.790 -19.207 1.00 25.00 H new ATOM 609 N GLY B 20 7.696 -7.275 -20.538 1.00 25.00 N ATOM 610 CA GLY B 20 8.725 -8.164 -21.070 1.00 25.00 C ATOM 611 C GLY B 20 10.106 -7.979 -20.442 1.00 25.00 C ATOM 612 O GLY B 20 11.022 -7.538 -21.142 1.00 25.00 O ATOM 0 H GLY B 20 6.922 -7.741 -20.065 1.00 25.00 H new ATOM 0 HA2 GLY B 20 8.408 -9.196 -20.923 1.00 25.00 H new ATOM 0 HA3 GLY B 20 8.804 -8.005 -22.145 1.00 25.00 H new ATOM 616 N GLU B 21 10.247 -8.376 -19.176 1.00 25.00 N ATOM 617 CA GLU B 21 11.511 -8.313 -18.408 1.00 25.00 C ATOM 618 C GLU B 21 12.034 -6.892 -18.153 1.00 25.00 C ATOM 619 O GLU B 21 12.710 -6.670 -17.170 1.00 25.00 O ATOM 620 CB GLU B 21 12.593 -9.267 -19.011 1.00 25.00 C ATOM 621 CG GLU B 21 13.870 -9.311 -18.254 1.00 25.00 C ATOM 622 CD GLU B 21 14.884 -8.236 -18.673 1.00 25.00 C ATOM 623 OE1 GLU B 21 14.815 -7.791 -19.843 1.00 25.00 O ATOM 624 OE2 GLU B 21 15.782 -7.886 -17.840 1.00 25.00 O ATOM 0 H GLU B 21 9.472 -8.761 -18.635 1.00 25.00 H new ATOM 0 HA GLU B 21 11.270 -8.681 -17.411 1.00 25.00 H new ATOM 0 HB2 GLU B 21 12.182 -10.275 -19.062 1.00 25.00 H new ATOM 0 HB3 GLU B 21 12.803 -8.956 -20.034 1.00 25.00 H new ATOM 0 HG2 GLU B 21 13.654 -9.198 -17.192 1.00 25.00 H new ATOM 0 HG3 GLU B 21 14.324 -10.294 -18.384 1.00 25.00 H new ATOM 631 N ARG B 22 11.557 -5.920 -18.899 1.00 25.00 N ATOM 632 CA ARG B 22 11.827 -4.511 -18.640 1.00 25.00 C ATOM 633 C ARG B 22 10.956 -3.931 -17.487 1.00 25.00 C ATOM 634 O ARG B 22 10.509 -2.788 -17.528 1.00 25.00 O ATOM 635 CB ARG B 22 11.558 -3.691 -19.943 1.00 25.00 C ATOM 636 CG ARG B 22 12.218 -4.198 -21.198 1.00 25.00 C ATOM 637 CD ARG B 22 11.833 -3.416 -22.404 1.00 25.00 C ATOM 638 NE ARG B 22 10.490 -3.813 -22.832 1.00 25.00 N ATOM 639 CZ ARG B 22 9.665 -3.118 -23.615 1.00 25.00 C ATOM 640 NH1 ARG B 22 10.025 -1.991 -24.184 1.00 25.00 N ATOM 641 NH2 ARG B 22 8.454 -3.581 -23.808 1.00 25.00 N ATOM 0 H ARG B 22 10.964 -6.081 -19.713 1.00 25.00 H new ATOM 0 HA ARG B 22 12.870 -4.432 -18.332 1.00 25.00 H new ATOM 0 HB2 ARG B 22 10.482 -3.659 -20.111 1.00 25.00 H new ATOM 0 HB3 ARG B 22 11.885 -2.665 -19.775 1.00 25.00 H new ATOM 0 HG2 ARG B 22 13.300 -4.160 -21.075 1.00 25.00 H new ATOM 0 HG3 ARG B 22 11.951 -5.244 -21.347 1.00 25.00 H new ATOM 0 HD2 ARG B 22 11.855 -2.349 -22.182 1.00 25.00 H new ATOM 0 HD3 ARG B 22 12.549 -3.589 -23.207 1.00 25.00 H new ATOM 0 HE ARG B 22 10.151 -4.714 -22.496 1.00 25.00 H new ATOM 0 HH11 ARG B 22 10.963 -1.620 -24.033 1.00 25.00 H new ATOM 0 HH12 ARG B 22 9.367 -1.486 -24.777 1.00 25.00 H new ATOM 0 HH21 ARG B 22 8.164 -4.452 -23.364 1.00 25.00 H new ATOM 0 HH22 ARG B 22 7.801 -3.070 -24.402 1.00 25.00 H new ATOM 655 N GLY B 23 10.588 -4.756 -16.497 1.00 25.00 N ATOM 656 CA GLY B 23 9.681 -4.244 -15.463 1.00 25.00 C ATOM 657 C GLY B 23 9.536 -5.035 -14.211 1.00 25.00 C ATOM 658 O GLY B 23 8.723 -4.760 -13.348 1.00 25.00 O ATOM 0 H GLY B 23 10.884 -5.726 -16.391 1.00 25.00 H new ATOM 0 HA2 GLY B 23 10.016 -3.243 -15.190 1.00 25.00 H new ATOM 0 HA3 GLY B 23 8.692 -4.138 -15.908 1.00 25.00 H new ATOM 662 N PHE B 24 10.352 -6.064 -14.086 1.00 25.00 N ATOM 663 CA PHE B 24 10.329 -6.902 -12.892 1.00 25.00 C ATOM 664 C PHE B 24 11.617 -7.703 -12.881 1.00 25.00 C ATOM 665 O PHE B 24 12.329 -7.700 -13.881 1.00 25.00 O ATOM 666 CB PHE B 24 9.090 -7.820 -12.903 1.00 25.00 C ATOM 667 CG PHE B 24 9.022 -8.771 -14.075 1.00 25.00 C ATOM 668 CD1 PHE B 24 8.549 -8.352 -15.309 1.00 25.00 C ATOM 669 CD2 PHE B 24 9.429 -10.120 -13.923 1.00 25.00 C ATOM 670 CE1 PHE B 24 8.481 -9.234 -16.427 1.00 25.00 C ATOM 671 CE2 PHE B 24 9.312 -10.994 -15.004 1.00 25.00 C ATOM 672 CZ PHE B 24 8.839 -10.575 -16.247 1.00 25.00 C ATOM 0 H PHE B 24 11.037 -6.343 -14.789 1.00 25.00 H new ATOM 0 HA PHE B 24 10.261 -6.296 -11.989 1.00 25.00 H new ATOM 0 HB2 PHE B 24 9.076 -8.400 -11.980 1.00 25.00 H new ATOM 0 HB3 PHE B 24 8.194 -7.199 -12.903 1.00 25.00 H new ATOM 0 HD1 PHE B 24 8.223 -7.329 -15.427 1.00 25.00 H new ATOM 0 HD2 PHE B 24 9.825 -10.468 -12.980 1.00 25.00 H new ATOM 0 HE1 PHE B 24 8.160 -8.875 -17.393 1.00 25.00 H new ATOM 0 HE2 PHE B 24 9.597 -12.028 -14.874 1.00 25.00 H new ATOM 0 HZ PHE B 24 8.750 -11.278 -17.062 1.00 25.00 H new ATOM 682 N PHE B 25 11.932 -8.303 -11.786 1.00 25.00 N ATOM 683 CA PHE B 25 13.149 -9.109 -11.714 1.00 25.00 C ATOM 684 C PHE B 25 12.792 -10.467 -11.180 1.00 25.00 C ATOM 685 O PHE B 25 12.540 -10.641 -10.000 1.00 25.00 O ATOM 686 CB PHE B 25 14.212 -8.443 -10.858 1.00 25.00 C ATOM 687 CG PHE B 25 15.577 -9.055 -11.042 1.00 25.00 C ATOM 688 CD1 PHE B 25 15.864 -10.340 -10.516 1.00 25.00 C ATOM 689 CD2 PHE B 25 16.580 -8.367 -11.776 1.00 25.00 C ATOM 690 CE1 PHE B 25 17.143 -10.902 -10.675 1.00 25.00 C ATOM 691 CE2 PHE B 25 17.856 -8.963 -11.965 1.00 25.00 C ATOM 692 CZ PHE B 25 18.152 -10.213 -11.396 1.00 25.00 C ATOM 0 H PHE B 25 11.386 -8.266 -10.925 1.00 25.00 H new ATOM 0 HA PHE B 25 13.574 -9.208 -12.713 1.00 25.00 H new ATOM 0 HB2 PHE B 25 14.258 -7.382 -11.104 1.00 25.00 H new ATOM 0 HB3 PHE B 25 13.925 -8.515 -9.809 1.00 25.00 H new ATOM 0 HD1 PHE B 25 15.097 -10.890 -9.991 1.00 25.00 H new ATOM 0 HD2 PHE B 25 16.373 -7.391 -12.190 1.00 25.00 H new ATOM 0 HE1 PHE B 25 17.360 -11.868 -10.244 1.00 25.00 H new ATOM 0 HE2 PHE B 25 18.605 -8.451 -12.551 1.00 25.00 H new ATOM 0 HZ PHE B 25 19.136 -10.644 -11.506 1.00 25.00 H new HETATM 702 N NVA B 26 12.731 -11.433 -12.102 1.00 25.00 N HETATM 703 CA NVA B 26 12.370 -12.836 -11.815 1.00 25.00 C HETATM 704 CB NVA B 26 11.153 -13.355 -12.703 1.00 25.00 C HETATM 705 CG NVA B 26 10.880 -14.882 -12.552 1.00 25.00 C HETATM 706 CD NVA B 26 10.184 -15.228 -11.211 1.00 25.00 C HETATM 707 C NVA B 26 13.620 -13.689 -12.022 1.00 25.00 C HETATM 708 O NVA B 26 14.168 -13.829 -13.104 1.00 25.00 O HETATM 0 HG3 NVA B 26 10.257 -15.220 -13.380 1.00 25.00 H new HETATM 0 HG2 NVA B 26 11.823 -15.425 -12.620 1.00 25.00 H new HETATM 0 HD3 NVA B 26 10.818 -14.916 -10.381 1.00 25.00 H new HETATM 0 HD2 NVA B 26 9.228 -14.708 -11.153 1.00 25.00 H new HETATM 0 HB3 NVA B 26 10.253 -12.804 -12.429 1.00 25.00 H new HETATM 0 HB2 NVA B 26 11.357 -13.132 -13.750 1.00 25.00 H new HETATM 0 HA NVA B 26 12.023 -12.912 -10.785 1.00 25.00 H new ATOM 717 N THR B 27 14.065 -14.280 -10.883 1.00 25.00 N ATOM 718 CA THR B 27 15.264 -15.133 -10.771 1.00 25.00 C ATOM 719 C THR B 27 15.006 -16.464 -11.437 1.00 25.00 C ATOM 720 O THR B 27 13.864 -16.828 -11.688 1.00 25.00 O ATOM 721 CB THR B 27 15.529 -15.401 -9.270 1.00 25.00 C ATOM 722 OG1 THR B 27 14.298 -15.708 -8.608 1.00 25.00 O ATOM 723 CG2 THR B 27 16.124 -14.179 -8.662 1.00 25.00 C ATOM 0 H THR B 27 13.580 -14.169 -9.993 1.00 25.00 H new ATOM 0 HA THR B 27 16.111 -14.636 -11.244 1.00 25.00 H new ATOM 0 HB THR B 27 16.212 -16.244 -9.163 1.00 25.00 H new ATOM 0 HG1 THR B 27 14.471 -15.879 -7.659 1.00 25.00 H new ATOM 0 HG21 THR B 27 16.315 -14.355 -7.604 1.00 25.00 H new ATOM 0 HG22 THR B 27 17.061 -13.941 -9.166 1.00 25.00 H new ATOM 0 HG23 THR B 27 15.432 -13.344 -8.771 1.00 25.00 H new ATOM 731 N PRO B 28 16.067 -17.263 -11.669 1.00 25.00 N ATOM 732 CA PRO B 28 15.714 -18.533 -12.312 1.00 25.00 C ATOM 733 C PRO B 28 15.010 -19.479 -11.347 1.00 25.00 C ATOM 734 O PRO B 28 15.577 -19.923 -10.333 1.00 25.00 O ATOM 735 CB PRO B 28 17.091 -19.041 -12.732 1.00 25.00 C ATOM 736 CG PRO B 28 18.037 -18.489 -11.781 1.00 25.00 C ATOM 737 CD PRO B 28 17.524 -17.147 -11.506 1.00 25.00 C ATOM 0 HA PRO B 28 15.008 -18.442 -13.138 1.00 25.00 H new ATOM 0 HB2 PRO B 28 17.122 -20.131 -12.724 1.00 25.00 H new ATOM 0 HB3 PRO B 28 17.330 -18.723 -13.747 1.00 25.00 H new ATOM 0 HG2 PRO B 28 18.087 -19.090 -10.873 1.00 25.00 H new ATOM 0 HG3 PRO B 28 19.044 -18.454 -12.196 1.00 25.00 H new ATOM 0 HD2 PRO B 28 17.785 -16.822 -10.499 1.00 25.00 H new ATOM 0 HD3 PRO B 28 17.942 -16.414 -12.196 1.00 25.00 H new HETATM 745 N HIX B 29 13.742 -19.723 -11.711 1.00 25.00 N HETATM 746 CA HIX B 29 12.853 -20.529 -10.913 1.00 25.00 C HETATM 747 C HIX B 29 13.129 -21.977 -11.162 1.00 25.00 C HETATM 748 O HIX B 29 12.921 -22.484 -12.259 1.00 25.00 O HETATM 749 CB HIX B 29 11.395 -20.138 -11.178 1.00 25.00 C HETATM 750 CG HIX B 29 11.107 -18.718 -10.825 1.00 25.00 C HETATM 751 CD2 HIX B 29 10.662 -17.763 -11.606 1.00 25.00 C HETATM 752 ND1 HIX B 29 11.255 -18.178 -9.587 1.00 25.00 N HETATM 753 NE1 HIX B 29 10.655 -16.890 -9.459 1.00 25.00 N HETATM 754 NE2 HIX B 29 10.497 -16.616 -10.860 1.00 25.00 N ATOM 762 N THR B 30 13.520 -22.702 -10.079 1.00 25.00 N ATOM 763 CA THR B 30 13.852 -24.154 -10.128 1.00 25.00 C ATOM 764 C THR B 30 13.036 -24.835 -9.069 1.00 25.00 C ATOM 765 O THR B 30 13.350 -25.996 -8.755 1.00 25.00 O ATOM 766 CB THR B 30 15.306 -24.400 -9.807 1.00 25.00 C ATOM 767 OG1 THR B 30 15.640 -23.709 -8.583 1.00 25.00 O ATOM 768 CG2 THR B 30 16.161 -23.963 -10.878 1.00 25.00 C ATOM 769 OXT THR B 30 12.230 -24.149 -8.451 1.00 25.00 O ATOM 0 H THR B 30 13.614 -22.297 -9.148 1.00 25.00 H new ATOM 0 HA THR B 30 13.645 -24.530 -11.130 1.00 25.00 H new ATOM 0 HB THR B 30 15.462 -25.472 -9.682 1.00 25.00 H new ATOM 0 HG1 THR B 30 16.583 -23.865 -8.366 1.00 25.00 H new ATOM 0 HG21 THR B 30 17.201 -24.155 -10.614 1.00 25.00 H new ATOM 0 HG22 THR B 30 15.911 -24.508 -11.788 1.00 25.00 H new ATOM 0 HG23 THR B 30 16.020 -22.895 -11.044 1.00 25.00 H new TER 777 THR B 30