USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 375 hydrogens (14 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 27 NVA HD2 : B 27 NVA CD : B 29 HIX NE2 :(H bumps) USER MOD NoAdj-H: B 27 NVA H2 : B 27 NVA N : B 26 TYR C :(H bumps) USER MOD NoAdj-H: B 27 NVA H : B 27 NVA N : B 26 TYR C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 147:sc= 0.0824 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.23) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.595 K(o=0.6,f=-5.3!) USER MOD Single : A 18 ASN : amide:sc= -0.0659 X(o=-0.066,f=0) USER MOD Single : A 19 TYR OH : rot 150:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0181 X(o=-0.018,f=-0.28) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0.249 K(o=0.25,f=-3!) USER MOD Single : B 4 GLN : amide:sc= 0.234 X(o=0.23,f=0) USER MOD Single : B 5 HIS : no HE2:sc= -0.146 K(o=-0.15,f=-0.79) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0902 USER MOD Single : B 10 HIS : no HD1:sc= -0.278 X(o=-0.28,f=-0.18) USER MOD Single : B 16 TYR OH : rot -130:sc= 0.327 USER MOD Single : B 26 TYR OH : rot 30:sc= 0 USER MOD Single : B 30 THR OG1 : rot 180:sc= -0.307 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.604 -1.335 -0.680 1.00 25.00 N ATOM 2 CA GLY A 1 3.399 -0.458 -0.577 1.00 25.00 C ATOM 3 C GLY A 1 2.261 -0.839 -1.512 1.00 25.00 C ATOM 4 O GLY A 1 1.358 -1.581 -1.198 1.00 25.00 O ATOM 0 H1 GLY A 1 5.460 -0.772 -0.499 1.00 25.00 H new ATOM 0 H2 GLY A 1 4.538 -2.100 0.022 1.00 25.00 H new ATOM 0 H3 GLY A 1 4.655 -1.745 -1.635 1.00 25.00 H new ATOM 0 HA2 GLY A 1 3.033 -0.483 0.449 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.695 0.570 -0.785 1.00 25.00 H new ATOM 9 N ILE A 2 2.381 -0.361 -2.765 1.00 25.00 N ATOM 10 CA ILE A 2 1.410 -0.669 -3.820 1.00 25.00 C ATOM 11 C ILE A 2 1.351 -2.174 -4.049 1.00 25.00 C ATOM 12 O ILE A 2 0.273 -2.742 -4.275 1.00 25.00 O ATOM 13 CB ILE A 2 1.750 0.119 -5.147 1.00 25.00 C ATOM 14 CG1 ILE A 2 0.754 -0.224 -6.278 1.00 25.00 C ATOM 15 CG2 ILE A 2 3.196 -0.189 -5.645 1.00 25.00 C ATOM 16 CD1 ILE A 2 -0.659 0.323 -6.087 1.00 25.00 C ATOM 0 H ILE A 2 3.146 0.242 -3.067 1.00 25.00 H new ATOM 0 HA ILE A 2 0.421 -0.340 -3.501 1.00 25.00 H new ATOM 0 HB ILE A 2 1.672 1.179 -4.903 1.00 25.00 H new ATOM 0 HG12 ILE A 2 1.151 0.159 -7.218 1.00 25.00 H new ATOM 0 HG13 ILE A 2 0.697 -1.308 -6.374 1.00 25.00 H new ATOM 0 HG21 ILE A 2 3.393 0.371 -6.559 1.00 25.00 H new ATOM 0 HG22 ILE A 2 3.914 0.103 -4.879 1.00 25.00 H new ATOM 0 HG23 ILE A 2 3.292 -1.256 -5.845 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -1.281 0.029 -6.933 1.00 25.00 H new ATOM 0 HD12 ILE A 2 -1.084 -0.079 -5.167 1.00 25.00 H new ATOM 0 HD13 ILE A 2 -0.623 1.411 -6.025 1.00 25.00 H new ATOM 28 N VAL A 3 2.488 -2.854 -3.929 1.00 25.00 N ATOM 29 CA VAL A 3 2.527 -4.296 -4.126 1.00 25.00 C ATOM 30 C VAL A 3 1.799 -5.016 -2.967 1.00 25.00 C ATOM 31 O VAL A 3 1.112 -6.005 -3.196 1.00 25.00 O ATOM 32 CB VAL A 3 4.019 -4.792 -4.305 1.00 25.00 C ATOM 33 CG1 VAL A 3 4.854 -4.584 -3.019 1.00 25.00 C ATOM 34 CG2 VAL A 3 4.075 -6.257 -4.737 1.00 25.00 C ATOM 0 H VAL A 3 3.387 -2.432 -3.698 1.00 25.00 H new ATOM 0 HA VAL A 3 1.997 -4.548 -5.045 1.00 25.00 H new ATOM 0 HB VAL A 3 4.457 -4.182 -5.095 1.00 25.00 H new ATOM 0 HG11 VAL A 3 5.872 -4.938 -3.185 1.00 25.00 H new ATOM 0 HG12 VAL A 3 4.875 -3.524 -2.766 1.00 25.00 H new ATOM 0 HG13 VAL A 3 4.404 -5.144 -2.199 1.00 25.00 H new ATOM 0 HG21 VAL A 3 5.115 -6.563 -4.850 1.00 25.00 H new ATOM 0 HG22 VAL A 3 3.594 -6.878 -3.981 1.00 25.00 H new ATOM 0 HG23 VAL A 3 3.556 -6.376 -5.688 1.00 25.00 H new ATOM 44 N GLU A 4 1.882 -4.491 -1.762 1.00 25.00 N ATOM 45 CA GLU A 4 1.244 -5.133 -0.610 1.00 25.00 C ATOM 46 C GLU A 4 -0.256 -4.859 -0.621 1.00 25.00 C ATOM 47 O GLU A 4 -1.043 -5.588 -0.020 1.00 25.00 O ATOM 48 CB GLU A 4 1.884 -4.624 0.683 1.00 25.00 C ATOM 49 CG GLU A 4 3.337 -5.050 0.826 1.00 25.00 C ATOM 50 CD GLU A 4 4.019 -4.380 1.981 1.00 25.00 C ATOM 51 OE1 GLU A 4 4.568 -3.325 1.886 1.00 25.00 O ATOM 52 OE2 GLU A 4 3.952 -5.055 3.086 1.00 25.00 O ATOM 0 H GLU A 4 2.380 -3.627 -1.546 1.00 25.00 H new ATOM 0 HA GLU A 4 1.391 -6.211 -0.669 1.00 25.00 H new ATOM 0 HB2 GLU A 4 1.824 -3.536 0.709 1.00 25.00 H new ATOM 0 HB3 GLU A 4 1.315 -4.995 1.536 1.00 25.00 H new ATOM 0 HG2 GLU A 4 3.384 -6.131 0.957 1.00 25.00 H new ATOM 0 HG3 GLU A 4 3.873 -4.817 -0.094 1.00 25.00 H new ATOM 60 N GLN A 5 -0.654 -3.816 -1.323 1.00 25.00 N ATOM 61 CA GLN A 5 -2.064 -3.479 -1.425 1.00 25.00 C ATOM 62 C GLN A 5 -2.754 -4.189 -2.588 1.00 25.00 C ATOM 63 O GLN A 5 -3.906 -4.589 -2.479 1.00 25.00 O ATOM 64 CB GLN A 5 -2.234 -1.971 -1.578 1.00 25.00 C ATOM 65 CG GLN A 5 -3.565 -1.465 -1.041 1.00 25.00 C ATOM 66 CD GLN A 5 -3.678 -1.642 0.467 1.00 25.00 C ATOM 67 OE1 GLN A 5 -2.809 -1.227 1.214 1.00 25.00 O ATOM 68 NE2 GLN A 5 -4.735 -2.280 0.911 1.00 25.00 N ATOM 0 H GLN A 5 -0.027 -3.190 -1.829 1.00 25.00 H new ATOM 0 HA GLN A 5 -2.538 -3.819 -0.504 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -1.422 -1.465 -1.056 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -2.150 -1.707 -2.632 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -3.679 -0.410 -1.291 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -4.380 -1.999 -1.530 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -5.442 -2.613 0.256 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -4.850 -2.443 1.911 1.00 25.00 H new ATOM 77 N CYS A 6 -2.067 -4.309 -3.718 1.00 25.00 N ATOM 78 CA CYS A 6 -2.680 -4.874 -4.929 1.00 25.00 C ATOM 79 C CYS A 6 -2.259 -6.288 -5.306 1.00 25.00 C ATOM 80 O CYS A 6 -3.041 -7.025 -5.892 1.00 25.00 O ATOM 81 CB CYS A 6 -2.384 -3.969 -6.122 1.00 25.00 C ATOM 82 SG CYS A 6 -3.259 -2.382 -6.048 1.00 25.00 S ATOM 0 H CYS A 6 -1.093 -4.027 -3.828 1.00 25.00 H new ATOM 0 HA CYS A 6 -3.740 -4.932 -4.683 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -1.311 -3.783 -6.172 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -2.661 -4.487 -7.040 1.00 25.00 H new ATOM 87 N CYS A 7 -1.026 -6.678 -5.031 1.00 25.00 N ATOM 88 CA CYS A 7 -0.590 -8.031 -5.383 1.00 25.00 C ATOM 89 C CYS A 7 -1.128 -8.948 -4.294 1.00 25.00 C ATOM 90 O CYS A 7 -1.871 -9.901 -4.549 1.00 25.00 O ATOM 91 CB CYS A 7 0.933 -8.086 -5.482 1.00 25.00 C ATOM 92 SG CYS A 7 1.569 -9.486 -6.450 1.00 25.00 S ATOM 0 H CYS A 7 -0.320 -6.099 -4.577 1.00 25.00 H new ATOM 0 HA CYS A 7 -0.968 -8.343 -6.357 1.00 25.00 H new ATOM 0 HB2 CYS A 7 1.290 -7.158 -5.929 1.00 25.00 H new ATOM 0 HB3 CYS A 7 1.349 -8.136 -4.476 1.00 25.00 H new ATOM 97 N THR A 8 -0.821 -8.585 -3.057 1.00 25.00 N ATOM 98 CA THR A 8 -1.288 -9.336 -1.899 1.00 25.00 C ATOM 99 C THR A 8 -2.804 -9.261 -1.706 1.00 25.00 C ATOM 100 O THR A 8 -3.446 -10.272 -1.432 1.00 25.00 O ATOM 101 CB THR A 8 -0.613 -8.768 -0.637 1.00 25.00 C ATOM 102 OG1 THR A 8 0.797 -8.704 -0.850 1.00 25.00 O ATOM 103 CG2 THR A 8 -0.875 -9.636 0.587 1.00 25.00 C ATOM 0 H THR A 8 -0.249 -7.772 -2.828 1.00 25.00 H new ATOM 0 HA THR A 8 -1.028 -10.381 -2.068 1.00 25.00 H new ATOM 0 HB THR A 8 -1.031 -7.778 -0.454 1.00 25.00 H new ATOM 0 HG1 THR A 8 1.232 -8.341 -0.050 1.00 25.00 H new ATOM 0 HG21 THR A 8 -0.381 -9.199 1.455 1.00 25.00 H new ATOM 0 HG22 THR A 8 -1.948 -9.692 0.770 1.00 25.00 H new ATOM 0 HG23 THR A 8 -0.484 -10.638 0.413 1.00 25.00 H new ATOM 111 N SER A 9 -3.377 -8.071 -1.821 1.00 25.00 N ATOM 112 CA SER A 9 -4.797 -7.879 -1.528 1.00 25.00 C ATOM 113 C SER A 9 -5.570 -7.351 -2.730 1.00 25.00 C ATOM 114 O SER A 9 -5.029 -7.234 -3.812 1.00 25.00 O ATOM 115 CB SER A 9 -4.952 -6.919 -0.356 1.00 25.00 C ATOM 116 OG SER A 9 -4.125 -7.320 0.720 1.00 25.00 O ATOM 0 H SER A 9 -2.886 -7.226 -2.113 1.00 25.00 H new ATOM 0 HA SER A 9 -5.214 -8.854 -1.275 1.00 25.00 H new ATOM 0 HB2 SER A 9 -4.690 -5.908 -0.668 1.00 25.00 H new ATOM 0 HB3 SER A 9 -5.993 -6.893 -0.034 1.00 25.00 H new ATOM 0 HG SER A 9 -4.233 -6.694 1.466 1.00 25.00 H new ATOM 122 N ILE A 10 -6.848 -7.072 -2.526 1.00 25.00 N ATOM 123 CA ILE A 10 -7.695 -6.518 -3.572 1.00 25.00 C ATOM 124 C ILE A 10 -7.614 -5.012 -3.434 1.00 25.00 C ATOM 125 O ILE A 10 -7.734 -4.488 -2.327 1.00 25.00 O ATOM 126 CB ILE A 10 -9.195 -6.966 -3.386 1.00 25.00 C ATOM 127 CG1 ILE A 10 -9.337 -8.496 -3.529 1.00 25.00 C ATOM 128 CG2 ILE A 10 -10.136 -6.220 -4.392 1.00 25.00 C ATOM 129 CD1 ILE A 10 -9.016 -9.047 -4.911 1.00 25.00 C ATOM 0 H ILE A 10 -7.325 -7.222 -1.637 1.00 25.00 H new ATOM 0 HA ILE A 10 -7.362 -6.865 -4.550 1.00 25.00 H new ATOM 0 HB ILE A 10 -9.501 -6.692 -2.376 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -8.682 -8.976 -2.802 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -10.358 -8.776 -3.271 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -11.164 -6.549 -4.241 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -10.070 -5.145 -4.223 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -9.829 -6.446 -5.413 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -9.145 -10.129 -4.910 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -9.688 -8.602 -5.645 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -7.985 -8.805 -5.169 1.00 25.00 H new ATOM 141 N CYS A 11 -7.446 -4.307 -4.543 1.00 25.00 N ATOM 142 CA CYS A 11 -7.423 -2.852 -4.545 1.00 25.00 C ATOM 143 C CYS A 11 -8.326 -2.361 -5.684 1.00 25.00 C ATOM 144 O CYS A 11 -8.462 -3.017 -6.718 1.00 25.00 O ATOM 145 CB CYS A 11 -5.984 -2.348 -4.707 1.00 25.00 C ATOM 146 SG CYS A 11 -5.205 -2.915 -6.251 1.00 25.00 S ATOM 0 H CYS A 11 -7.322 -4.726 -5.465 1.00 25.00 H new ATOM 0 HA CYS A 11 -7.796 -2.460 -3.599 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -5.981 -1.258 -4.683 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -5.388 -2.687 -3.860 1.00 25.00 H new ATOM 151 N SER A 12 -8.960 -1.218 -5.448 1.00 25.00 N ATOM 152 CA SER A 12 -9.907 -0.629 -6.391 1.00 25.00 C ATOM 153 C SER A 12 -9.305 0.636 -6.974 1.00 25.00 C ATOM 154 O SER A 12 -8.299 1.164 -6.466 1.00 25.00 O ATOM 155 CB SER A 12 -11.213 -0.299 -5.675 1.00 25.00 C ATOM 156 OG SER A 12 -11.722 -1.457 -5.011 1.00 25.00 O ATOM 0 H SER A 12 -8.832 -0.672 -4.596 1.00 25.00 H new ATOM 0 HA SER A 12 -10.114 -1.338 -7.192 1.00 25.00 H new ATOM 0 HB2 SER A 12 -11.047 0.500 -4.952 1.00 25.00 H new ATOM 0 HB3 SER A 12 -11.946 0.068 -6.393 1.00 25.00 H new ATOM 0 HG SER A 12 -12.559 -1.231 -4.554 1.00 25.00 H new ATOM 162 N LEU A 13 -9.944 1.159 -8.020 1.00 25.00 N ATOM 163 CA LEU A 13 -9.473 2.360 -8.696 1.00 25.00 C ATOM 164 C LEU A 13 -9.304 3.536 -7.741 1.00 25.00 C ATOM 165 O LEU A 13 -8.380 4.319 -7.893 1.00 25.00 O ATOM 166 CB LEU A 13 -10.427 2.724 -9.838 1.00 25.00 C ATOM 167 CG LEU A 13 -11.812 3.301 -9.493 1.00 25.00 C ATOM 168 CD1 LEU A 13 -11.823 4.814 -9.701 1.00 25.00 C ATOM 169 CD2 LEU A 13 -12.828 2.646 -10.388 1.00 25.00 C ATOM 0 H LEU A 13 -10.796 0.763 -8.418 1.00 25.00 H new ATOM 0 HA LEU A 13 -8.486 2.142 -9.104 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -9.918 3.447 -10.475 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -10.583 1.826 -10.436 1.00 25.00 H new ATOM 0 HG LEU A 13 -12.049 3.104 -8.448 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -12.809 5.208 -9.453 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -11.075 5.275 -9.056 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -11.593 5.040 -10.742 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -13.819 3.039 -10.162 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -12.584 2.855 -11.430 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -12.819 1.569 -10.222 1.00 25.00 H new ATOM 181 N TYR A 14 -10.138 3.594 -6.714 1.00 25.00 N ATOM 182 CA TYR A 14 -10.062 4.662 -5.730 1.00 25.00 C ATOM 183 C TYR A 14 -8.731 4.656 -4.983 1.00 25.00 C ATOM 184 O TYR A 14 -8.112 5.700 -4.797 1.00 25.00 O ATOM 185 CB TYR A 14 -11.219 4.522 -4.738 1.00 25.00 C ATOM 186 CG TYR A 14 -11.348 5.718 -3.820 1.00 25.00 C ATOM 187 CD1 TYR A 14 -12.060 6.866 -4.222 1.00 25.00 C ATOM 188 CD2 TYR A 14 -10.751 5.719 -2.553 1.00 25.00 C ATOM 189 CE1 TYR A 14 -12.165 7.991 -3.362 1.00 25.00 C ATOM 190 CE2 TYR A 14 -10.860 6.844 -1.690 1.00 25.00 C ATOM 191 CZ TYR A 14 -11.572 7.969 -2.103 1.00 25.00 C ATOM 192 OH TYR A 14 -11.682 9.061 -1.285 1.00 25.00 O ATOM 0 H TYR A 14 -10.877 2.912 -6.540 1.00 25.00 H new ATOM 0 HA TYR A 14 -10.135 5.613 -6.258 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -12.150 4.389 -5.289 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -11.072 3.623 -4.139 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -12.530 6.890 -5.194 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -10.198 4.851 -2.226 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -12.707 8.867 -3.686 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -10.392 6.827 -0.717 1.00 25.00 H new ATOM 0 HH TYR A 14 -11.214 8.886 -0.442 1.00 25.00 H new ATOM 202 N GLN A 15 -8.263 3.480 -4.583 1.00 25.00 N ATOM 203 CA GLN A 15 -6.970 3.412 -3.909 1.00 25.00 C ATOM 204 C GLN A 15 -5.887 3.700 -4.927 1.00 25.00 C ATOM 205 O GLN A 15 -4.974 4.453 -4.646 1.00 25.00 O ATOM 206 CB GLN A 15 -6.716 2.043 -3.263 1.00 25.00 C ATOM 207 CG GLN A 15 -7.539 1.770 -1.995 1.00 25.00 C ATOM 208 CD GLN A 15 -8.963 1.373 -2.292 1.00 25.00 C ATOM 209 OE1 GLN A 15 -9.218 0.580 -3.180 1.00 25.00 O ATOM 210 NE2 GLN A 15 -9.893 1.916 -1.553 1.00 25.00 N ATOM 0 H GLN A 15 -8.740 2.587 -4.707 1.00 25.00 H new ATOM 0 HA GLN A 15 -6.964 4.149 -3.106 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -6.933 1.265 -3.995 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -5.657 1.963 -3.017 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -7.059 0.978 -1.420 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -7.539 2.663 -1.369 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -9.640 2.577 -0.818 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -10.873 1.680 -1.711 1.00 25.00 H new ATOM 219 N LEU A 16 -6.005 3.109 -6.113 1.00 25.00 N ATOM 220 CA LEU A 16 -5.005 3.288 -7.170 1.00 25.00 C ATOM 221 C LEU A 16 -4.717 4.761 -7.455 1.00 25.00 C ATOM 222 O LEU A 16 -3.568 5.158 -7.635 1.00 25.00 O ATOM 223 CB LEU A 16 -5.476 2.636 -8.464 1.00 25.00 C ATOM 224 CG LEU A 16 -4.969 1.227 -8.818 1.00 25.00 C ATOM 225 CD1 LEU A 16 -3.502 1.223 -9.147 1.00 25.00 C ATOM 226 CD2 LEU A 16 -5.246 0.220 -7.738 1.00 25.00 C ATOM 0 H LEU A 16 -6.783 2.501 -6.370 1.00 25.00 H new ATOM 0 HA LEU A 16 -4.090 2.816 -6.811 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -6.565 2.596 -8.435 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -5.203 3.299 -9.285 1.00 25.00 H new ATOM 0 HG LEU A 16 -5.530 0.932 -9.705 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -3.187 0.209 -9.391 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -3.319 1.875 -10.001 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -2.935 1.583 -8.288 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -4.866 -0.755 -8.043 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -4.752 0.529 -6.817 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -6.321 0.154 -7.569 1.00 25.00 H new ATOM 238 N GLU A 17 -5.763 5.582 -7.456 1.00 25.00 N ATOM 239 CA GLU A 17 -5.620 7.020 -7.701 1.00 25.00 C ATOM 240 C GLU A 17 -4.683 7.693 -6.709 1.00 25.00 C ATOM 241 O GLU A 17 -3.971 8.614 -7.089 1.00 25.00 O ATOM 242 CB GLU A 17 -6.995 7.707 -7.631 1.00 25.00 C ATOM 243 CG GLU A 17 -7.817 7.487 -8.879 1.00 25.00 C ATOM 244 CD GLU A 17 -9.184 8.116 -8.794 1.00 25.00 C ATOM 245 OE1 GLU A 17 -9.958 7.918 -7.911 1.00 25.00 O ATOM 246 OE2 GLU A 17 -9.432 8.922 -9.777 1.00 25.00 O ATOM 0 H GLU A 17 -6.723 5.278 -7.290 1.00 25.00 H new ATOM 0 HA GLU A 17 -5.188 7.126 -8.696 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -7.543 7.329 -6.768 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -6.855 8.777 -7.476 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -7.285 7.899 -9.737 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -7.924 6.417 -9.054 1.00 25.00 H new ATOM 254 N ASN A 18 -4.629 7.220 -5.472 1.00 25.00 N ATOM 255 CA ASN A 18 -3.760 7.842 -4.470 1.00 25.00 C ATOM 256 C ASN A 18 -2.295 7.608 -4.786 1.00 25.00 C ATOM 257 O ASN A 18 -1.430 8.357 -4.328 1.00 25.00 O ATOM 258 CB ASN A 18 -4.065 7.316 -3.059 1.00 25.00 C ATOM 259 CG ASN A 18 -5.380 7.809 -2.528 1.00 25.00 C ATOM 260 OD1 ASN A 18 -5.471 8.911 -2.016 1.00 25.00 O ATOM 261 ND2 ASN A 18 -6.402 7.028 -2.680 1.00 25.00 N ATOM 0 H ASN A 18 -5.166 6.420 -5.137 1.00 25.00 H new ATOM 0 HA ASN A 18 -3.962 8.913 -4.500 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -4.070 6.226 -3.075 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -3.267 7.621 -2.382 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -7.325 7.329 -2.366 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -6.284 6.112 -3.114 1.00 25.00 H new ATOM 268 N TYR A 19 -1.999 6.596 -5.585 1.00 25.00 N ATOM 269 CA TYR A 19 -0.621 6.291 -5.968 1.00 25.00 C ATOM 270 C TYR A 19 -0.199 7.127 -7.152 1.00 25.00 C ATOM 271 O TYR A 19 0.949 7.105 -7.567 1.00 25.00 O ATOM 272 CB TYR A 19 -0.493 4.815 -6.322 1.00 25.00 C ATOM 273 CG TYR A 19 -0.785 3.910 -5.149 1.00 25.00 C ATOM 274 CD1 TYR A 19 0.218 3.570 -4.223 1.00 25.00 C ATOM 275 CD2 TYR A 19 -2.073 3.390 -4.960 1.00 25.00 C ATOM 276 CE1 TYR A 19 -0.070 2.713 -3.121 1.00 25.00 C ATOM 277 CE2 TYR A 19 -2.373 2.542 -3.876 1.00 25.00 C ATOM 278 CZ TYR A 19 -1.368 2.207 -2.961 1.00 25.00 C ATOM 279 OH TYR A 19 -1.625 1.392 -1.892 1.00 25.00 O ATOM 0 H TYR A 19 -2.695 5.966 -5.985 1.00 25.00 H new ATOM 0 HA TYR A 19 0.027 6.522 -5.123 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -1.177 4.580 -7.137 1.00 25.00 H new ATOM 0 HB3 TYR A 19 0.515 4.618 -6.686 1.00 25.00 H new ATOM 0 HD1 TYR A 19 1.216 3.962 -4.348 1.00 25.00 H new ATOM 0 HD2 TYR A 19 -2.853 3.645 -5.662 1.00 25.00 H new ATOM 0 HE1 TYR A 19 0.705 2.455 -2.415 1.00 25.00 H new ATOM 0 HE2 TYR A 19 -3.373 2.153 -3.752 1.00 25.00 H new ATOM 0 HH TYR A 19 -2.560 1.497 -1.618 1.00 25.00 H new ATOM 289 N CYS A 20 -1.145 7.884 -7.692 1.00 25.00 N ATOM 290 CA CYS A 20 -0.871 8.766 -8.811 1.00 25.00 C ATOM 291 C CYS A 20 -0.324 10.069 -8.259 1.00 25.00 C ATOM 292 O CYS A 20 0.552 10.704 -8.830 1.00 25.00 O ATOM 293 CB CYS A 20 -2.161 9.016 -9.584 1.00 25.00 C ATOM 294 SG CYS A 20 -1.943 9.742 -11.230 1.00 25.00 S ATOM 0 H CYS A 20 -2.112 7.902 -7.369 1.00 25.00 H new ATOM 0 HA CYS A 20 -0.144 8.318 -9.488 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -2.693 8.070 -9.689 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -2.797 9.676 -8.994 1.00 25.00 H new ATOM 299 N ASN A 21 -0.865 10.466 -7.082 1.00 25.00 N ATOM 300 CA ASN A 21 -0.383 11.638 -6.335 1.00 25.00 C ATOM 301 C ASN A 21 0.425 11.237 -5.079 1.00 25.00 C ATOM 302 O ASN A 21 0.459 11.866 -4.033 1.00 25.00 O ATOM 303 CB ASN A 21 -1.560 12.596 -5.985 1.00 25.00 C ATOM 304 CG ASN A 21 -2.613 11.917 -5.152 1.00 25.00 C ATOM 305 OD1 ASN A 21 -3.507 11.261 -5.627 1.00 25.00 O ATOM 306 ND2 ASN A 21 -2.539 12.096 -3.834 1.00 25.00 N ATOM 307 OXT ASN A 21 1.173 10.198 -5.241 1.00 25.00 O ATOM 0 H ASN A 21 -1.642 9.982 -6.632 1.00 25.00 H new ATOM 0 HA ASN A 21 0.305 12.179 -6.984 1.00 25.00 H new ATOM 0 HB2 ASN A 21 -1.175 13.462 -5.446 1.00 25.00 H new ATOM 0 HB3 ASN A 21 -2.010 12.968 -6.905 1.00 25.00 H new ATOM 0 HD21 ASN A 21 -3.240 11.678 -3.222 1.00 25.00 H new ATOM 0 HD22 ASN A 21 -1.781 12.651 -3.436 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -12.558 -0.176 -15.340 1.00 25.00 N ATOM 317 CA PHE B 1 -11.666 -0.691 -14.250 1.00 25.00 C ATOM 318 C PHE B 1 -12.327 -1.686 -13.301 1.00 25.00 C ATOM 319 O PHE B 1 -13.296 -1.413 -12.625 1.00 25.00 O ATOM 320 CB PHE B 1 -11.123 0.497 -13.437 1.00 25.00 C ATOM 321 CG PHE B 1 -9.962 0.168 -12.524 1.00 25.00 C ATOM 322 CD1 PHE B 1 -10.154 -0.621 -11.384 1.00 25.00 C ATOM 323 CD2 PHE B 1 -8.684 0.653 -12.818 1.00 25.00 C ATOM 324 CE1 PHE B 1 -9.083 -0.920 -10.551 1.00 25.00 C ATOM 325 CE2 PHE B 1 -7.605 0.357 -11.974 1.00 25.00 C ATOM 326 CZ PHE B 1 -7.811 -0.432 -10.845 1.00 25.00 C ATOM 0 H1 PHE B 1 -12.028 0.492 -15.936 1.00 25.00 H new ATOM 0 H2 PHE B 1 -12.889 -0.971 -15.922 1.00 25.00 H new ATOM 0 H3 PHE B 1 -13.376 0.309 -14.919 1.00 25.00 H new ATOM 0 HA PHE B 1 -10.868 -1.239 -14.751 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -10.812 1.280 -14.129 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -11.934 0.908 -12.836 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -11.139 -0.999 -11.151 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -8.528 1.258 -13.699 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -9.236 -1.532 -9.674 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -6.620 0.738 -12.198 1.00 25.00 H new ATOM 0 HZ PHE B 1 -6.981 -0.667 -10.194 1.00 25.00 H new ATOM 337 N VAL B 2 -11.728 -2.880 -13.193 1.00 25.00 N ATOM 338 CA VAL B 2 -12.214 -3.911 -12.259 1.00 25.00 C ATOM 339 C VAL B 2 -11.215 -4.079 -11.122 1.00 25.00 C ATOM 340 O VAL B 2 -10.014 -4.230 -11.363 1.00 25.00 O ATOM 341 CB VAL B 2 -12.390 -5.286 -12.969 1.00 25.00 C ATOM 342 CG1 VAL B 2 -12.918 -6.338 -11.989 1.00 25.00 C ATOM 343 CG2 VAL B 2 -13.355 -5.154 -14.157 1.00 25.00 C ATOM 0 H VAL B 2 -10.911 -3.157 -13.737 1.00 25.00 H new ATOM 0 HA VAL B 2 -13.182 -3.585 -11.878 1.00 25.00 H new ATOM 0 HB VAL B 2 -11.414 -5.606 -13.335 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -13.034 -7.291 -12.506 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -12.213 -6.455 -11.166 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -13.884 -6.018 -11.597 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -13.468 -6.123 -14.643 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -14.326 -4.811 -13.800 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -12.956 -4.434 -14.871 1.00 25.00 H new ATOM 353 N ASN B 3 -11.729 -4.067 -9.899 1.00 25.00 N ATOM 354 CA ASN B 3 -10.926 -4.285 -8.705 1.00 25.00 C ATOM 355 C ASN B 3 -10.577 -5.773 -8.593 1.00 25.00 C ATOM 356 O ASN B 3 -11.446 -6.623 -8.621 1.00 25.00 O ATOM 357 CB ASN B 3 -11.689 -3.809 -7.471 1.00 25.00 C ATOM 358 CG ASN B 3 -13.016 -4.491 -7.301 1.00 25.00 C ATOM 359 OD1 ASN B 3 -13.927 -4.312 -8.097 1.00 25.00 O ATOM 360 ND2 ASN B 3 -13.144 -5.254 -6.256 1.00 25.00 N ATOM 0 H ASN B 3 -12.718 -3.905 -9.708 1.00 25.00 H new ATOM 0 HA ASN B 3 -10.001 -3.713 -8.773 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -11.080 -3.985 -6.584 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -11.846 -2.733 -7.541 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -14.029 -5.729 -6.077 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -12.360 -5.378 -5.616 1.00 25.00 H new ATOM 367 N GLN B 4 -9.288 -6.066 -8.553 1.00 25.00 N ATOM 368 CA GLN B 4 -8.793 -7.442 -8.592 1.00 25.00 C ATOM 369 C GLN B 4 -7.350 -7.429 -8.124 1.00 25.00 C ATOM 370 O GLN B 4 -6.782 -6.350 -7.928 1.00 25.00 O ATOM 371 CB GLN B 4 -8.868 -7.979 -10.028 1.00 25.00 C ATOM 372 CG GLN B 4 -7.997 -7.203 -11.016 1.00 25.00 C ATOM 373 CD GLN B 4 -8.333 -7.511 -12.449 1.00 25.00 C ATOM 374 OE1 GLN B 4 -8.032 -8.582 -12.962 1.00 25.00 O ATOM 375 NE2 GLN B 4 -8.922 -6.559 -13.120 1.00 25.00 N ATOM 0 H GLN B 4 -8.552 -5.362 -8.493 1.00 25.00 H new ATOM 0 HA GLN B 4 -9.396 -8.083 -7.950 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -8.564 -9.026 -10.032 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -9.904 -7.947 -10.366 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -8.118 -6.134 -10.840 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -6.949 -7.439 -10.834 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -9.157 -5.680 -12.659 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -9.147 -6.694 -14.106 1.00 25.00 H new ATOM 384 N HIS B 5 -6.749 -8.599 -7.957 1.00 25.00 N ATOM 385 CA HIS B 5 -5.326 -8.673 -7.621 1.00 25.00 C ATOM 386 C HIS B 5 -4.547 -8.271 -8.857 1.00 25.00 C ATOM 387 O HIS B 5 -4.825 -8.739 -9.957 1.00 25.00 O ATOM 388 CB HIS B 5 -4.928 -10.080 -7.197 1.00 25.00 C ATOM 389 CG HIS B 5 -5.470 -10.473 -5.869 1.00 25.00 C ATOM 390 ND1 HIS B 5 -4.876 -10.101 -4.663 1.00 25.00 N ATOM 391 CD2 HIS B 5 -6.564 -11.196 -5.507 1.00 25.00 C ATOM 392 CE1 HIS B 5 -5.608 -10.575 -3.665 1.00 25.00 C ATOM 393 NE2 HIS B 5 -6.617 -11.241 -4.150 1.00 25.00 N ATOM 0 H HIS B 5 -7.214 -9.502 -8.046 1.00 25.00 H new ATOM 0 HA HIS B 5 -5.111 -8.009 -6.784 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -5.276 -10.790 -7.948 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -3.841 -10.150 -7.172 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -4.020 -9.555 -4.565 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -7.270 -11.656 -6.183 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -5.401 -10.432 -2.615 1.00 25.00 H new ATOM 402 N LEU B 6 -3.594 -7.375 -8.665 1.00 25.00 N ATOM 403 CA LEU B 6 -2.800 -6.831 -9.753 1.00 25.00 C ATOM 404 C LEU B 6 -1.361 -6.787 -9.311 1.00 25.00 C ATOM 405 O LEU B 6 -1.055 -6.409 -8.189 1.00 25.00 O ATOM 406 CB LEU B 6 -3.270 -5.418 -10.074 1.00 25.00 C ATOM 407 CG LEU B 6 -4.655 -5.334 -10.727 1.00 25.00 C ATOM 408 CD1 LEU B 6 -5.267 -3.979 -10.462 1.00 25.00 C ATOM 409 CD2 LEU B 6 -4.569 -5.593 -12.235 1.00 25.00 C ATOM 0 H LEU B 6 -3.349 -7.003 -7.747 1.00 25.00 H new ATOM 0 HA LEU B 6 -2.907 -7.453 -10.642 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -3.282 -4.836 -9.152 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -2.542 -4.950 -10.737 1.00 25.00 H new ATOM 0 HG LEU B 6 -5.289 -6.105 -10.289 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -6.251 -3.926 -10.929 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -5.367 -3.829 -9.387 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -4.626 -3.202 -10.879 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -5.565 -5.527 -12.673 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -3.920 -4.848 -12.696 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -4.160 -6.588 -12.411 1.00 25.00 H new ATOM 421 N CYS B 7 -0.464 -7.170 -10.201 1.00 25.00 N ATOM 422 CA CYS B 7 0.958 -7.216 -9.881 1.00 25.00 C ATOM 423 C CYS B 7 1.735 -6.906 -11.157 1.00 25.00 C ATOM 424 O CYS B 7 1.171 -6.960 -12.253 1.00 25.00 O ATOM 425 CB CYS B 7 1.317 -8.607 -9.357 1.00 25.00 C ATOM 426 SG CYS B 7 2.543 -8.609 -8.010 1.00 25.00 S ATOM 0 H CYS B 7 -0.692 -7.455 -11.154 1.00 25.00 H new ATOM 0 HA CYS B 7 1.208 -6.487 -9.110 1.00 25.00 H new ATOM 0 HB2 CYS B 7 0.408 -9.095 -9.006 1.00 25.00 H new ATOM 0 HB3 CYS B 7 1.702 -9.205 -10.183 1.00 25.00 H new ATOM 431 N GLY B 8 3.012 -6.559 -11.016 1.00 25.00 N ATOM 432 CA GLY B 8 3.861 -6.275 -12.168 1.00 25.00 C ATOM 433 C GLY B 8 3.288 -5.350 -13.234 1.00 25.00 C ATOM 434 O GLY B 8 2.663 -4.325 -12.938 1.00 25.00 O ATOM 0 H GLY B 8 3.481 -6.468 -10.115 1.00 25.00 H new ATOM 0 HA2 GLY B 8 4.791 -5.839 -11.805 1.00 25.00 H new ATOM 0 HA3 GLY B 8 4.117 -7.222 -12.643 1.00 25.00 H new ATOM 438 N SER B 9 3.482 -5.721 -14.493 1.00 25.00 N ATOM 439 CA SER B 9 2.977 -4.940 -15.611 1.00 25.00 C ATOM 440 C SER B 9 1.450 -4.826 -15.600 1.00 25.00 C ATOM 441 O SER B 9 0.905 -3.850 -16.065 1.00 25.00 O ATOM 442 CB SER B 9 3.442 -5.586 -16.905 1.00 25.00 C ATOM 443 OG SER B 9 4.705 -6.203 -16.704 1.00 25.00 O ATOM 0 H SER B 9 3.989 -6.563 -14.765 1.00 25.00 H new ATOM 0 HA SER B 9 3.369 -3.927 -15.524 1.00 25.00 H new ATOM 0 HB2 SER B 9 2.713 -6.326 -17.236 1.00 25.00 H new ATOM 0 HB3 SER B 9 3.514 -4.836 -17.692 1.00 25.00 H new ATOM 0 HG SER B 9 5.002 -6.620 -17.540 1.00 25.00 H new ATOM 449 N HIS B 10 0.759 -5.801 -15.031 1.00 25.00 N ATOM 450 CA HIS B 10 -0.694 -5.715 -14.928 1.00 25.00 C ATOM 451 C HIS B 10 -1.069 -4.593 -13.965 1.00 25.00 C ATOM 452 O HIS B 10 -2.013 -3.848 -14.200 1.00 25.00 O ATOM 453 CB HIS B 10 -1.276 -7.044 -14.452 1.00 25.00 C ATOM 454 CG HIS B 10 -2.591 -7.354 -15.089 1.00 25.00 C ATOM 455 ND1 HIS B 10 -3.308 -8.537 -14.875 1.00 25.00 N ATOM 456 CD2 HIS B 10 -3.350 -6.649 -15.965 1.00 25.00 C ATOM 457 CE1 HIS B 10 -4.415 -8.494 -15.599 1.00 25.00 C ATOM 458 NE2 HIS B 10 -4.463 -7.364 -16.256 1.00 25.00 N ATOM 0 H HIS B 10 1.169 -6.648 -14.639 1.00 25.00 H new ATOM 0 HA HIS B 10 -1.110 -5.497 -15.912 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -0.571 -7.845 -14.673 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -1.398 -7.016 -13.369 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -3.106 -5.676 -16.365 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -5.163 -9.272 -15.641 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -5.213 -7.071 -16.882 1.00 25.00 H new ATOM 467 N LEU B 11 -0.290 -4.444 -12.896 1.00 25.00 N ATOM 468 CA LEU B 11 -0.491 -3.344 -11.943 1.00 25.00 C ATOM 469 C LEU B 11 -0.220 -2.021 -12.637 1.00 25.00 C ATOM 470 O LEU B 11 -0.981 -1.074 -12.492 1.00 25.00 O ATOM 471 CB LEU B 11 0.451 -3.485 -10.740 1.00 25.00 C ATOM 472 CG LEU B 11 -0.153 -3.258 -9.351 1.00 25.00 C ATOM 473 CD1 LEU B 11 0.923 -3.456 -8.292 1.00 25.00 C ATOM 474 CD2 LEU B 11 -0.760 -1.867 -9.195 1.00 25.00 C ATOM 0 H LEU B 11 0.485 -5.066 -12.664 1.00 25.00 H new ATOM 0 HA LEU B 11 -1.521 -3.378 -11.587 1.00 25.00 H new ATOM 0 HB2 LEU B 11 0.881 -4.486 -10.762 1.00 25.00 H new ATOM 0 HB3 LEU B 11 1.274 -2.782 -10.870 1.00 25.00 H new ATOM 0 HG LEU B 11 -0.957 -3.983 -9.226 1.00 25.00 H new ATOM 0 HD11 LEU B 11 0.494 -3.295 -7.303 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.315 -4.471 -8.357 1.00 25.00 H new ATOM 0 HD13 LEU B 11 1.732 -2.744 -8.457 1.00 25.00 H new ATOM 0 HD21 LEU B 11 -1.173 -1.761 -8.192 1.00 25.00 H new ATOM 0 HD22 LEU B 11 0.012 -1.114 -9.351 1.00 25.00 H new ATOM 0 HD23 LEU B 11 -1.553 -1.731 -9.930 1.00 25.00 H new ATOM 486 N VAL B 12 0.859 -1.961 -13.414 1.00 25.00 N ATOM 487 CA VAL B 12 1.213 -0.730 -14.107 1.00 25.00 C ATOM 488 C VAL B 12 0.156 -0.367 -15.161 1.00 25.00 C ATOM 489 O VAL B 12 -0.215 0.783 -15.294 1.00 25.00 O ATOM 490 CB VAL B 12 2.659 -0.795 -14.680 1.00 25.00 C ATOM 491 CG1 VAL B 12 2.718 -0.929 -16.207 1.00 25.00 C ATOM 492 CG2 VAL B 12 3.412 0.427 -14.262 1.00 25.00 C ATOM 0 H VAL B 12 1.495 -2.742 -13.577 1.00 25.00 H new ATOM 0 HA VAL B 12 1.216 0.085 -13.383 1.00 25.00 H new ATOM 0 HB VAL B 12 3.112 -1.699 -14.273 1.00 25.00 H new ATOM 0 HG11 VAL B 12 3.759 -0.968 -16.529 1.00 25.00 H new ATOM 0 HG12 VAL B 12 2.209 -1.844 -16.512 1.00 25.00 H new ATOM 0 HG13 VAL B 12 2.228 -0.071 -16.667 1.00 25.00 H new ATOM 0 HG21 VAL B 12 4.425 0.385 -14.662 1.00 25.00 H new ATOM 0 HG22 VAL B 12 2.908 1.314 -14.645 1.00 25.00 H new ATOM 0 HG23 VAL B 12 3.453 0.475 -13.174 1.00 25.00 H new ATOM 502 N GLU B 13 -0.399 -1.374 -15.820 1.00 25.00 N ATOM 503 CA GLU B 13 -1.497 -1.172 -16.777 1.00 25.00 C ATOM 504 C GLU B 13 -2.712 -0.588 -16.070 1.00 25.00 C ATOM 505 O GLU B 13 -3.341 0.341 -16.570 1.00 25.00 O ATOM 506 CB GLU B 13 -1.894 -2.510 -17.410 1.00 25.00 C ATOM 507 CG GLU B 13 -0.978 -2.969 -18.541 1.00 25.00 C ATOM 508 CD GLU B 13 -1.077 -4.452 -18.787 1.00 25.00 C ATOM 509 OE1 GLU B 13 -1.953 -5.160 -18.357 1.00 25.00 O ATOM 510 OE2 GLU B 13 -0.111 -4.915 -19.497 1.00 25.00 O ATOM 0 H GLU B 13 -0.111 -2.347 -15.714 1.00 25.00 H new ATOM 0 HA GLU B 13 -1.156 -0.483 -17.549 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -1.905 -3.276 -16.634 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -2.911 -2.429 -17.793 1.00 25.00 H new ATOM 0 HG2 GLU B 13 -1.235 -2.433 -19.455 1.00 25.00 H new ATOM 0 HG3 GLU B 13 0.053 -2.711 -18.299 1.00 25.00 H new ATOM 518 N ALA B 14 -3.042 -1.115 -14.900 1.00 25.00 N ATOM 519 CA ALA B 14 -4.177 -0.595 -14.142 1.00 25.00 C ATOM 520 C ALA B 14 -3.938 0.857 -13.734 1.00 25.00 C ATOM 521 O ALA B 14 -4.826 1.692 -13.892 1.00 25.00 O ATOM 522 CB ALA B 14 -4.430 -1.457 -12.928 1.00 25.00 C ATOM 0 H ALA B 14 -2.550 -1.891 -14.457 1.00 25.00 H new ATOM 0 HA ALA B 14 -5.061 -0.623 -14.779 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -5.278 -1.060 -12.370 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -4.649 -2.477 -13.245 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -3.545 -1.457 -12.291 1.00 25.00 H new ATOM 528 N LEU B 15 -2.742 1.161 -13.246 1.00 25.00 N ATOM 529 CA LEU B 15 -2.397 2.518 -12.824 1.00 25.00 C ATOM 530 C LEU B 15 -2.455 3.472 -14.029 1.00 25.00 C ATOM 531 O LEU B 15 -2.889 4.617 -13.917 1.00 25.00 O ATOM 532 CB LEU B 15 -0.987 2.522 -12.221 1.00 25.00 C ATOM 533 CG LEU B 15 -0.801 3.184 -10.838 1.00 25.00 C ATOM 534 CD1 LEU B 15 0.661 3.039 -10.442 1.00 25.00 C ATOM 535 CD2 LEU B 15 -1.226 4.660 -10.785 1.00 25.00 C ATOM 0 H LEU B 15 -1.988 0.483 -13.131 1.00 25.00 H new ATOM 0 HA LEU B 15 -3.111 2.855 -12.073 1.00 25.00 H new ATOM 0 HB2 LEU B 15 -0.651 1.488 -12.146 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.322 3.023 -12.925 1.00 25.00 H new ATOM 0 HG LEU B 15 -1.460 2.674 -10.136 1.00 25.00 H new ATOM 0 HD11 LEU B 15 0.821 3.499 -9.467 1.00 25.00 H new ATOM 0 HD12 LEU B 15 0.921 1.982 -10.392 1.00 25.00 H new ATOM 0 HD13 LEU B 15 1.289 3.532 -11.183 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -1.064 5.050 -9.780 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -0.634 5.235 -11.497 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -2.282 4.744 -11.040 1.00 25.00 H new ATOM 547 N TYR B 16 -2.070 2.968 -15.184 1.00 25.00 N ATOM 548 CA TYR B 16 -2.132 3.741 -16.412 1.00 25.00 C ATOM 549 C TYR B 16 -3.573 4.005 -16.849 1.00 25.00 C ATOM 550 O TYR B 16 -3.911 5.111 -17.262 1.00 25.00 O ATOM 551 CB TYR B 16 -1.385 2.994 -17.516 1.00 25.00 C ATOM 552 CG TYR B 16 -1.687 3.535 -18.887 1.00 25.00 C ATOM 553 CD1 TYR B 16 -1.073 4.708 -19.356 1.00 25.00 C ATOM 554 CD2 TYR B 16 -2.610 2.873 -19.728 1.00 25.00 C ATOM 555 CE1 TYR B 16 -1.363 5.212 -20.646 1.00 25.00 C ATOM 556 CE2 TYR B 16 -2.896 3.373 -21.017 1.00 25.00 C ATOM 557 CZ TYR B 16 -2.278 4.533 -21.461 1.00 25.00 C ATOM 558 OH TYR B 16 -2.578 5.011 -22.704 1.00 25.00 O ATOM 0 H TYR B 16 -1.709 2.021 -15.300 1.00 25.00 H new ATOM 0 HA TYR B 16 -1.664 4.708 -16.226 1.00 25.00 H new ATOM 0 HB2 TYR B 16 -0.313 3.059 -17.332 1.00 25.00 H new ATOM 0 HB3 TYR B 16 -1.651 1.938 -17.479 1.00 25.00 H new ATOM 0 HD1 TYR B 16 -0.371 5.232 -18.724 1.00 25.00 H new ATOM 0 HD2 TYR B 16 -3.101 1.976 -19.381 1.00 25.00 H new ATOM 0 HE1 TYR B 16 -0.883 6.113 -20.999 1.00 25.00 H new ATOM 0 HE2 TYR B 16 -3.595 2.853 -21.656 1.00 25.00 H new ATOM 0 HH TYR B 16 -3.551 5.057 -22.811 1.00 25.00 H new ATOM 568 N LEU B 17 -4.438 3.010 -16.735 1.00 25.00 N ATOM 569 CA LEU B 17 -5.817 3.169 -17.175 1.00 25.00 C ATOM 570 C LEU B 17 -6.580 4.117 -16.258 1.00 25.00 C ATOM 571 O LEU B 17 -7.365 4.932 -16.717 1.00 25.00 O ATOM 572 CB LEU B 17 -6.519 1.804 -17.222 1.00 25.00 C ATOM 573 CG LEU B 17 -6.083 0.931 -18.426 1.00 25.00 C ATOM 574 CD1 LEU B 17 -6.414 -0.538 -18.177 1.00 25.00 C ATOM 575 CD2 LEU B 17 -6.744 1.409 -19.714 1.00 25.00 C ATOM 0 H LEU B 17 -4.215 2.094 -16.347 1.00 25.00 H new ATOM 0 HA LEU B 17 -5.805 3.600 -18.176 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -6.312 1.265 -16.298 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -7.597 1.959 -17.266 1.00 25.00 H new ATOM 0 HG LEU B 17 -5.003 1.030 -18.536 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -6.099 -1.132 -19.035 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -5.891 -0.883 -17.285 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -7.489 -0.649 -18.033 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -6.422 0.780 -20.544 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -7.827 1.347 -19.612 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -6.456 2.442 -19.909 1.00 25.00 H new ATOM 587 N VAL B 18 -6.339 4.027 -14.961 1.00 25.00 N ATOM 588 CA VAL B 18 -7.048 4.870 -13.991 1.00 25.00 C ATOM 589 C VAL B 18 -6.484 6.293 -13.892 1.00 25.00 C ATOM 590 O VAL B 18 -7.215 7.253 -13.615 1.00 25.00 O ATOM 591 CB VAL B 18 -7.084 4.194 -12.576 1.00 25.00 C ATOM 592 CG1 VAL B 18 -5.691 4.056 -11.980 1.00 25.00 C ATOM 593 CG2 VAL B 18 -7.979 4.956 -11.617 1.00 25.00 C ATOM 0 H VAL B 18 -5.663 3.384 -14.549 1.00 25.00 H new ATOM 0 HA VAL B 18 -8.067 4.965 -14.367 1.00 25.00 H new ATOM 0 HB VAL B 18 -7.497 3.196 -12.720 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -5.760 3.583 -11.000 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -5.074 3.443 -12.636 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -5.240 5.043 -11.876 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -7.980 4.459 -10.647 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -7.607 5.974 -11.503 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -8.995 4.983 -12.011 1.00 25.00 H new ATOM 603 N CYS B 19 -5.182 6.449 -14.095 1.00 25.00 N ATOM 604 CA CYS B 19 -4.559 7.779 -13.960 1.00 25.00 C ATOM 605 C CYS B 19 -3.572 8.186 -15.026 1.00 25.00 C ATOM 606 O CYS B 19 -3.396 9.370 -15.275 1.00 25.00 O ATOM 607 CB CYS B 19 -3.822 7.871 -12.643 1.00 25.00 C ATOM 608 SG CYS B 19 -3.795 9.579 -12.030 1.00 25.00 S ATOM 0 H CYS B 19 -4.541 5.697 -14.348 1.00 25.00 H new ATOM 0 HA CYS B 19 -5.410 8.455 -14.046 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -4.302 7.225 -11.908 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -2.801 7.509 -12.767 1.00 25.00 H new ATOM 613 N GLY B 20 -2.925 7.236 -15.674 1.00 25.00 N ATOM 614 CA GLY B 20 -1.981 7.586 -16.722 1.00 25.00 C ATOM 615 C GLY B 20 -2.654 8.339 -17.846 1.00 25.00 C ATOM 616 O GLY B 20 -2.133 9.321 -18.332 1.00 25.00 O ATOM 0 H GLY B 20 -3.031 6.236 -15.500 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -1.180 8.195 -16.303 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -1.520 6.680 -17.115 1.00 25.00 H new ATOM 620 N GLU B 21 -3.861 7.919 -18.182 1.00 25.00 N ATOM 621 CA GLU B 21 -4.661 8.576 -19.221 1.00 25.00 C ATOM 622 C GLU B 21 -5.411 9.817 -18.716 1.00 25.00 C ATOM 623 O GLU B 21 -6.324 10.305 -19.381 1.00 25.00 O ATOM 624 CB GLU B 21 -5.671 7.570 -19.798 1.00 25.00 C ATOM 625 CG GLU B 21 -5.013 6.377 -20.483 1.00 25.00 C ATOM 626 CD GLU B 21 -6.004 5.460 -21.132 1.00 25.00 C ATOM 627 OE1 GLU B 21 -7.132 5.325 -20.756 1.00 25.00 O ATOM 628 OE2 GLU B 21 -5.513 4.814 -22.147 1.00 25.00 O ATOM 0 H GLU B 21 -4.320 7.117 -17.749 1.00 25.00 H new ATOM 0 HA GLU B 21 -3.966 8.917 -19.988 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -6.313 7.209 -18.994 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -6.314 8.082 -20.514 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -4.312 6.738 -21.236 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -4.433 5.817 -19.749 1.00 25.00 H new ATOM 636 N ARG B 22 -5.065 10.298 -17.527 1.00 25.00 N ATOM 637 CA ARG B 22 -5.787 11.427 -16.907 1.00 25.00 C ATOM 638 C ARG B 22 -4.906 12.481 -16.212 1.00 25.00 C ATOM 639 O ARG B 22 -5.238 13.657 -16.225 1.00 25.00 O ATOM 640 CB ARG B 22 -6.809 10.840 -15.915 1.00 25.00 C ATOM 641 CG ARG B 22 -7.875 11.829 -15.441 1.00 25.00 C ATOM 642 CD ARG B 22 -7.527 12.460 -14.094 1.00 25.00 C ATOM 643 NE ARG B 22 -7.559 11.479 -12.986 1.00 25.00 N ATOM 644 CZ ARG B 22 -6.946 11.618 -11.817 1.00 25.00 C ATOM 645 NH1 ARG B 22 -6.225 12.666 -11.533 1.00 25.00 N ATOM 646 NH2 ARG B 22 -7.068 10.672 -10.929 1.00 25.00 N ATOM 0 H ARG B 22 -4.294 9.933 -16.968 1.00 25.00 H new ATOM 0 HA ARG B 22 -6.264 11.980 -17.717 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -7.304 9.989 -16.384 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -6.274 10.458 -15.046 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -7.995 12.615 -16.187 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -8.833 11.316 -15.362 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -6.535 12.907 -14.151 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -8.229 13.267 -13.882 1.00 25.00 H new ATOM 0 HE ARG B 22 -8.097 10.625 -13.133 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -6.118 13.413 -12.220 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -5.768 12.740 -10.624 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -7.626 9.845 -11.139 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -6.605 10.759 -10.024 1.00 25.00 H new ATOM 660 N GLY B 23 -3.841 12.051 -15.553 1.00 25.00 N ATOM 661 CA GLY B 23 -3.019 12.942 -14.743 1.00 25.00 C ATOM 662 C GLY B 23 -1.617 13.219 -15.258 1.00 25.00 C ATOM 663 O GLY B 23 -0.995 14.168 -14.804 1.00 25.00 O ATOM 0 H GLY B 23 -3.522 11.082 -15.563 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -3.541 13.894 -14.644 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -2.938 12.517 -13.742 1.00 25.00 H new ATOM 667 N GLY B 24 -1.121 12.408 -16.191 1.00 25.00 N ATOM 668 CA GLY B 24 0.216 12.628 -16.739 1.00 25.00 C ATOM 669 C GLY B 24 1.175 11.450 -16.593 1.00 25.00 C ATOM 670 O GLY B 24 2.007 11.223 -17.475 1.00 25.00 O ATOM 0 H GLY B 24 -1.616 11.605 -16.578 1.00 25.00 H new ATOM 0 HA2 GLY B 24 0.123 12.872 -17.797 1.00 25.00 H new ATOM 0 HA3 GLY B 24 0.655 13.497 -16.249 1.00 25.00 H new ATOM 674 N PHE B 25 1.002 10.679 -15.516 1.00 25.00 N ATOM 675 CA PHE B 25 1.808 9.463 -15.234 1.00 25.00 C ATOM 676 C PHE B 25 3.311 9.732 -15.027 1.00 25.00 C ATOM 677 O PHE B 25 3.751 10.869 -15.035 1.00 25.00 O ATOM 678 CB PHE B 25 1.611 8.423 -16.355 1.00 25.00 C ATOM 679 CG PHE B 25 1.604 6.989 -15.877 1.00 25.00 C ATOM 680 CD1 PHE B 25 0.800 6.600 -14.786 1.00 25.00 C ATOM 681 CD2 PHE B 25 2.387 6.021 -16.519 1.00 25.00 C ATOM 682 CE1 PHE B 25 0.790 5.248 -14.336 1.00 25.00 C ATOM 683 CE2 PHE B 25 2.396 4.682 -16.081 1.00 25.00 C ATOM 684 CZ PHE B 25 1.600 4.292 -14.983 1.00 25.00 C ATOM 0 H PHE B 25 0.298 10.872 -14.804 1.00 25.00 H new ATOM 0 HA PHE B 25 1.438 9.077 -14.284 1.00 25.00 H new ATOM 0 HB2 PHE B 25 0.670 8.629 -16.864 1.00 25.00 H new ATOM 0 HB3 PHE B 25 2.405 8.545 -17.091 1.00 25.00 H new ATOM 0 HD1 PHE B 25 0.185 7.334 -14.286 1.00 25.00 H new ATOM 0 HD2 PHE B 25 2.995 6.306 -17.365 1.00 25.00 H new ATOM 0 HE1 PHE B 25 0.166 4.957 -13.504 1.00 25.00 H new ATOM 0 HE2 PHE B 25 3.013 3.953 -16.586 1.00 25.00 H new ATOM 0 HZ PHE B 25 1.611 3.268 -14.640 1.00 25.00 H new ATOM 694 N TYR B 26 4.066 8.669 -14.761 1.00 25.00 N ATOM 695 CA TYR B 26 5.505 8.762 -14.475 1.00 25.00 C ATOM 696 C TYR B 26 6.316 7.817 -15.372 1.00 25.00 C ATOM 697 O TYR B 26 7.533 7.787 -15.314 1.00 25.00 O ATOM 698 CB TYR B 26 5.755 8.399 -13.005 1.00 25.00 C ATOM 699 CG TYR B 26 5.309 6.994 -12.669 1.00 25.00 C ATOM 700 CD1 TYR B 26 6.185 5.897 -12.849 1.00 25.00 C ATOM 701 CD2 TYR B 26 4.015 6.741 -12.172 1.00 25.00 C ATOM 702 CE1 TYR B 26 5.768 4.573 -12.545 1.00 25.00 C ATOM 703 CE2 TYR B 26 3.592 5.418 -11.880 1.00 25.00 C ATOM 704 CZ TYR B 26 4.466 4.350 -12.064 1.00 25.00 C ATOM 705 OH TYR B 26 4.061 3.072 -11.785 1.00 25.00 O ATOM 0 H TYR B 26 3.702 7.716 -14.736 1.00 25.00 H new ATOM 0 HA TYR B 26 5.826 9.784 -14.675 1.00 25.00 H new ATOM 0 HB2 TYR B 26 6.818 8.501 -12.785 1.00 25.00 H new ATOM 0 HB3 TYR B 26 5.228 9.106 -12.365 1.00 25.00 H new ATOM 0 HD1 TYR B 26 7.184 6.068 -13.222 1.00 25.00 H new ATOM 0 HD2 TYR B 26 3.336 7.565 -12.011 1.00 25.00 H new ATOM 0 HE1 TYR B 26 6.446 3.744 -12.682 1.00 25.00 H new ATOM 0 HE2 TYR B 26 2.591 5.240 -11.515 1.00 25.00 H new ATOM 0 HH TYR B 26 4.834 2.537 -11.508 1.00 25.00 H new HETATM 715 N NVA B 27 5.557 7.020 -16.158 1.00 25.00 N HETATM 716 CA NVA B 27 5.994 5.978 -17.139 1.00 25.00 C HETATM 717 CB NVA B 27 5.897 6.540 -18.592 1.00 25.00 C HETATM 718 CG NVA B 27 5.299 5.477 -19.571 1.00 25.00 C HETATM 719 CD NVA B 27 5.759 5.638 -21.041 1.00 25.00 C HETATM 720 C NVA B 27 7.366 5.222 -16.887 1.00 25.00 C HETATM 721 O NVA B 27 8.429 5.712 -17.233 1.00 25.00 O HETATM 0 HG3 NVA B 27 5.576 4.482 -19.222 1.00 25.00 H new HETATM 0 HG2 NVA B 27 4.211 5.537 -19.534 1.00 25.00 H new HETATM 0 HD3 NVA B 27 5.458 6.618 -21.411 1.00 25.00 H new HETATM 0 HD1 NVA B 27 5.299 4.862 -21.653 1.00 25.00 H new HETATM 0 HB3 NVA B 27 5.274 7.435 -18.598 1.00 25.00 H new HETATM 0 HB2 NVA B 27 6.887 6.839 -18.936 1.00 25.00 H new HETATM 0 HA NVA B 27 5.282 5.169 -16.977 1.00 25.00 H new ATOM 730 N PRO B 28 7.363 3.953 -16.308 1.00 25.00 N ATOM 731 CA PRO B 28 8.585 3.152 -16.141 1.00 25.00 C ATOM 732 C PRO B 28 8.953 2.403 -17.430 1.00 25.00 C ATOM 733 O PRO B 28 8.605 1.231 -17.624 1.00 25.00 O ATOM 734 CB PRO B 28 8.208 2.200 -15.011 1.00 25.00 C ATOM 735 CG PRO B 28 6.743 1.944 -15.212 1.00 25.00 C ATOM 736 CD PRO B 28 6.174 3.231 -15.805 1.00 25.00 C ATOM 0 HA PRO B 28 9.469 3.750 -15.918 1.00 25.00 H new ATOM 0 HB2 PRO B 28 8.784 1.276 -15.061 1.00 25.00 H new ATOM 0 HB3 PRO B 28 8.404 2.644 -14.035 1.00 25.00 H new ATOM 0 HG2 PRO B 28 6.582 1.100 -15.882 1.00 25.00 H new ATOM 0 HG3 PRO B 28 6.256 1.699 -14.268 1.00 25.00 H new ATOM 0 HD2 PRO B 28 5.466 3.021 -16.607 1.00 25.00 H new ATOM 0 HD3 PRO B 28 5.641 3.815 -15.054 1.00 25.00 H new HETATM 744 N HIX B 29 9.643 3.120 -18.335 1.00 25.00 N HETATM 745 CA HIX B 29 10.038 2.625 -19.689 1.00 25.00 C HETATM 746 C HIX B 29 11.135 1.566 -19.637 1.00 25.00 C HETATM 747 O HIX B 29 12.183 1.696 -19.020 1.00 25.00 O HETATM 748 CB HIX B 29 10.410 3.792 -20.646 1.00 25.00 C HETATM 749 CG HIX B 29 9.116 4.341 -21.193 1.00 25.00 C HETATM 750 CD2 HIX B 29 8.069 4.777 -20.426 1.00 25.00 C HETATM 751 ND1 HIX B 29 8.716 4.492 -22.505 1.00 25.00 N HETATM 752 NE1 HIX B 29 7.417 5.002 -22.670 1.00 25.00 N HETATM 753 NE2 HIX B 29 7.110 5.141 -21.307 1.00 25.00 N ATOM 760 N THR B 30 10.869 0.448 -20.370 1.00 25.00 N ATOM 761 CA THR B 30 11.779 -0.720 -20.535 1.00 25.00 C ATOM 762 C THR B 30 11.353 -1.578 -21.724 1.00 25.00 C ATOM 763 O THR B 30 10.207 -1.889 -21.973 1.00 25.00 O ATOM 764 CB THR B 30 11.869 -1.603 -19.262 1.00 25.00 C ATOM 765 OG1 THR B 30 11.432 -0.860 -18.129 1.00 25.00 O ATOM 766 CG2 THR B 30 13.298 -2.086 -18.995 1.00 25.00 C ATOM 767 OXT THR B 30 12.324 -1.971 -22.467 1.00 25.00 O ATOM 0 H THR B 30 9.991 0.333 -20.876 1.00 25.00 H new ATOM 0 HA THR B 30 12.771 -0.306 -20.717 1.00 25.00 H new ATOM 0 HB THR B 30 11.233 -2.472 -19.430 1.00 25.00 H new ATOM 0 HG1 THR B 30 11.489 -1.421 -17.328 1.00 25.00 H new ATOM 0 HG21 THR B 30 13.312 -2.700 -18.095 1.00 25.00 H new ATOM 0 HG22 THR B 30 13.647 -2.676 -19.842 1.00 25.00 H new ATOM 0 HG23 THR B 30 13.953 -1.226 -18.858 1.00 25.00 H new TER 776 THR B 30