USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 379 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 26 NVA HD2 : B 26 NVA CD : B 29 HIX NE2 :(H bumps) 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 Set 1.1: B 4 GLN : amide:sc= 0.0661 X(o=0.069,f=0) USER MOD Set 1.2: B 10 HIS : no HE2:sc= 0.00276 X(o=0.069,f=-0.025) USER MOD Single : A 1 GLY N :NH3+ 174:sc= 0 (180deg=-0.0697) USER MOD Single : A 5 GLN : amide:sc= -0.0133 K(o=-0.013,f=-2.2!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -75:sc= 1.24 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= 0.964 K(o=0.96,f=-5.6!) USER MOD Single : A 18 ASN : amide:sc= -0.0198 K(o=-0.02,f=-0.75) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.993! C(o=-0.99!,f=-3.1!) USER MOD Single : B 5 HIS : no HE2:sc= 0.18 K(o=0.18,f=-2.9!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.133 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot -39:sc= 1.24 USER MOD Single : B 30 THR OG1 : rot -72:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.372 -0.908 -0.963 1.00 25.00 N ATOM 2 CA GLY A 1 0.398 0.265 -1.464 1.00 25.00 C ATOM 3 C GLY A 1 0.074 0.658 -2.894 1.00 25.00 C ATOM 4 O GLY A 1 -1.057 0.851 -3.291 1.00 25.00 O ATOM 0 H1 GLY A 1 -0.023 -1.176 -0.021 1.00 25.00 H new ATOM 0 H2 GLY A 1 -1.380 -0.661 -0.901 1.00 25.00 H new ATOM 0 H3 GLY A 1 -0.251 -1.708 -1.617 1.00 25.00 H new ATOM 0 HA2 GLY A 1 0.205 1.117 -0.812 1.00 25.00 H new ATOM 0 HA3 GLY A 1 1.463 0.044 -1.392 1.00 25.00 H new ATOM 9 N ILE A 2 1.110 0.688 -3.742 1.00 25.00 N ATOM 10 CA ILE A 2 0.911 0.964 -5.167 1.00 25.00 C ATOM 11 C ILE A 2 0.128 -0.197 -5.804 1.00 25.00 C ATOM 12 O ILE A 2 -0.658 -0.001 -6.730 1.00 25.00 O ATOM 13 CB ILE A 2 2.285 1.224 -5.886 1.00 25.00 C ATOM 14 CG1 ILE A 2 2.072 1.848 -7.276 1.00 25.00 C ATOM 15 CG2 ILE A 2 3.127 -0.072 -6.013 1.00 25.00 C ATOM 16 CD1 ILE A 2 1.542 3.294 -7.252 1.00 25.00 C ATOM 0 H ILE A 2 2.080 0.527 -3.470 1.00 25.00 H new ATOM 0 HA ILE A 2 0.324 1.875 -5.286 1.00 25.00 H new ATOM 0 HB ILE A 2 2.839 1.926 -5.263 1.00 25.00 H new ATOM 0 HG12 ILE A 2 3.018 1.830 -7.817 1.00 25.00 H new ATOM 0 HG13 ILE A 2 1.373 1.227 -7.836 1.00 25.00 H new ATOM 0 HG21 ILE A 2 4.068 0.153 -6.515 1.00 25.00 H new ATOM 0 HG22 ILE A 2 3.333 -0.471 -5.020 1.00 25.00 H new ATOM 0 HG23 ILE A 2 2.573 -0.810 -6.593 1.00 25.00 H new ATOM 0 HD11 ILE A 2 1.421 3.654 -8.274 1.00 25.00 H new ATOM 0 HD12 ILE A 2 0.579 3.320 -6.742 1.00 25.00 H new ATOM 0 HD13 ILE A 2 2.250 3.932 -6.723 1.00 25.00 H new ATOM 28 N VAL A 3 0.274 -1.387 -5.232 1.00 25.00 N ATOM 29 CA VAL A 3 -0.479 -2.558 -5.674 1.00 25.00 C ATOM 30 C VAL A 3 -1.955 -2.327 -5.380 1.00 25.00 C ATOM 31 O VAL A 3 -2.811 -2.538 -6.233 1.00 25.00 O ATOM 32 CB VAL A 3 0.012 -3.843 -4.928 1.00 25.00 C ATOM 33 CG1 VAL A 3 -0.853 -5.065 -5.279 1.00 25.00 C ATOM 34 CG2 VAL A 3 1.481 -4.125 -5.278 1.00 25.00 C ATOM 0 H VAL A 3 0.911 -1.568 -4.456 1.00 25.00 H new ATOM 0 HA VAL A 3 -0.325 -2.703 -6.743 1.00 25.00 H new ATOM 0 HB VAL A 3 -0.080 -3.663 -3.857 1.00 25.00 H new ATOM 0 HG11 VAL A 3 -0.483 -5.939 -4.743 1.00 25.00 H new ATOM 0 HG12 VAL A 3 -1.887 -4.874 -4.991 1.00 25.00 H new ATOM 0 HG13 VAL A 3 -0.803 -5.250 -6.352 1.00 25.00 H new ATOM 0 HG21 VAL A 3 1.814 -5.021 -4.754 1.00 25.00 H new ATOM 0 HG22 VAL A 3 1.576 -4.277 -6.353 1.00 25.00 H new ATOM 0 HG23 VAL A 3 2.096 -3.278 -4.975 1.00 25.00 H new ATOM 44 N GLU A 4 -2.249 -1.851 -4.178 1.00 25.00 N ATOM 45 CA GLU A 4 -3.617 -1.588 -3.779 1.00 25.00 C ATOM 46 C GLU A 4 -4.237 -0.520 -4.671 1.00 25.00 C ATOM 47 O GLU A 4 -5.382 -0.646 -5.066 1.00 25.00 O ATOM 48 CB GLU A 4 -3.651 -1.165 -2.312 1.00 25.00 C ATOM 49 CG GLU A 4 -5.029 -1.208 -1.701 1.00 25.00 C ATOM 50 CD GLU A 4 -5.017 -0.873 -0.237 1.00 25.00 C ATOM 51 OE1 GLU A 4 -4.042 -0.512 0.357 1.00 25.00 O ATOM 52 OE2 GLU A 4 -6.157 -1.024 0.336 1.00 25.00 O ATOM 0 H GLU A 4 -1.553 -1.640 -3.463 1.00 25.00 H new ATOM 0 HA GLU A 4 -4.205 -2.498 -3.893 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -2.989 -1.815 -1.740 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -3.256 -0.153 -2.226 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -5.678 -0.507 -2.226 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -5.454 -2.202 -1.840 1.00 25.00 H new ATOM 60 N GLN A 5 -3.466 0.496 -5.040 1.00 25.00 N ATOM 61 CA GLN A 5 -3.956 1.522 -5.961 1.00 25.00 C ATOM 62 C GLN A 5 -4.298 0.935 -7.333 1.00 25.00 C ATOM 63 O GLN A 5 -5.385 1.172 -7.856 1.00 25.00 O ATOM 64 CB GLN A 5 -2.922 2.642 -6.128 1.00 25.00 C ATOM 65 CG GLN A 5 -3.000 3.726 -5.050 1.00 25.00 C ATOM 66 CD GLN A 5 -4.078 4.764 -5.343 1.00 25.00 C ATOM 67 OE1 GLN A 5 -5.194 4.435 -5.699 1.00 25.00 O ATOM 68 NE2 GLN A 5 -3.734 6.017 -5.208 1.00 25.00 N ATOM 0 H GLN A 5 -2.507 0.634 -4.721 1.00 25.00 H new ATOM 0 HA GLN A 5 -4.867 1.933 -5.526 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -1.923 2.205 -6.118 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -3.058 3.105 -7.105 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -3.201 3.261 -4.085 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -2.034 4.223 -4.969 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -2.789 6.257 -4.907 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -4.410 6.755 -5.403 1.00 25.00 H new ATOM 77 N CYS A 6 -3.391 0.153 -7.904 1.00 25.00 N ATOM 78 CA CYS A 6 -3.605 -0.455 -9.223 1.00 25.00 C ATOM 79 C CYS A 6 -4.766 -1.465 -9.178 1.00 25.00 C ATOM 80 O CYS A 6 -5.432 -1.729 -10.187 1.00 25.00 O ATOM 81 CB CYS A 6 -2.301 -1.134 -9.662 1.00 25.00 C ATOM 82 SG CYS A 6 -2.185 -1.630 -11.415 1.00 25.00 S ATOM 0 H CYS A 6 -2.494 -0.080 -7.477 1.00 25.00 H new ATOM 0 HA CYS A 6 -3.877 0.315 -9.945 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -1.475 -0.457 -9.445 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -2.156 -2.022 -9.047 1.00 25.00 H new ATOM 87 N CYS A 7 -5.026 -1.992 -7.989 1.00 25.00 N ATOM 88 CA CYS A 7 -6.142 -2.905 -7.771 1.00 25.00 C ATOM 89 C CYS A 7 -7.483 -2.184 -7.630 1.00 25.00 C ATOM 90 O CYS A 7 -8.458 -2.564 -8.268 1.00 25.00 O ATOM 91 CB CYS A 7 -5.879 -3.731 -6.510 1.00 25.00 C ATOM 92 SG CYS A 7 -7.077 -5.077 -6.249 1.00 25.00 S ATOM 0 H CYS A 7 -4.474 -1.801 -7.153 1.00 25.00 H new ATOM 0 HA CYS A 7 -6.211 -3.545 -8.651 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -4.877 -4.156 -6.568 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -5.896 -3.070 -5.644 1.00 25.00 H new ATOM 97 N THR A 8 -7.554 -1.173 -6.774 1.00 25.00 N ATOM 98 CA THR A 8 -8.830 -0.511 -6.479 1.00 25.00 C ATOM 99 C THR A 8 -9.270 0.468 -7.566 1.00 25.00 C ATOM 100 O THR A 8 -10.465 0.708 -7.742 1.00 25.00 O ATOM 101 CB THR A 8 -8.784 0.220 -5.104 1.00 25.00 C ATOM 102 OG1 THR A 8 -10.105 0.612 -4.726 1.00 25.00 O ATOM 103 CG2 THR A 8 -7.905 1.465 -5.136 1.00 25.00 C ATOM 0 H THR A 8 -6.752 -0.791 -6.272 1.00 25.00 H new ATOM 0 HA THR A 8 -9.571 -1.310 -6.443 1.00 25.00 H new ATOM 0 HB THR A 8 -8.359 -0.480 -4.385 1.00 25.00 H new ATOM 0 HG1 THR A 8 -10.075 1.070 -3.860 1.00 25.00 H new ATOM 0 HG21 THR A 8 -7.907 1.937 -4.154 1.00 25.00 H new ATOM 0 HG22 THR A 8 -6.886 1.184 -5.401 1.00 25.00 H new ATOM 0 HG23 THR A 8 -8.293 2.165 -5.876 1.00 25.00 H new ATOM 111 N SER A 9 -8.327 1.004 -8.325 1.00 25.00 N ATOM 112 CA SER A 9 -8.654 1.923 -9.414 1.00 25.00 C ATOM 113 C SER A 9 -8.460 1.186 -10.720 1.00 25.00 C ATOM 114 O SER A 9 -7.913 0.085 -10.734 1.00 25.00 O ATOM 115 CB SER A 9 -7.763 3.161 -9.370 1.00 25.00 C ATOM 116 OG SER A 9 -6.418 2.845 -9.685 1.00 25.00 O ATOM 0 H SER A 9 -7.330 0.822 -8.211 1.00 25.00 H new ATOM 0 HA SER A 9 -9.686 2.259 -9.315 1.00 25.00 H new ATOM 0 HB2 SER A 9 -8.137 3.905 -10.073 1.00 25.00 H new ATOM 0 HB3 SER A 9 -7.810 3.609 -8.377 1.00 25.00 H new ATOM 0 HG SER A 9 -5.999 2.398 -8.920 1.00 25.00 H new ATOM 122 N ILE A 10 -8.884 1.780 -11.822 1.00 25.00 N ATOM 123 CA ILE A 10 -8.661 1.168 -13.121 1.00 25.00 C ATOM 124 C ILE A 10 -7.253 1.609 -13.475 1.00 25.00 C ATOM 125 O ILE A 10 -6.973 2.796 -13.632 1.00 25.00 O ATOM 126 CB ILE A 10 -9.691 1.658 -14.177 1.00 25.00 C ATOM 127 CG1 ILE A 10 -11.070 1.003 -13.926 1.00 25.00 C ATOM 128 CG2 ILE A 10 -9.198 1.362 -15.604 1.00 25.00 C ATOM 129 CD1 ILE A 10 -11.187 -0.473 -14.367 1.00 25.00 C ATOM 0 H ILE A 10 -9.378 2.672 -11.845 1.00 25.00 H new ATOM 0 HA ILE A 10 -8.779 0.085 -13.101 1.00 25.00 H new ATOM 0 HB ILE A 10 -9.797 2.738 -14.077 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -11.296 1.067 -12.862 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -11.830 1.583 -14.449 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -9.936 1.714 -16.324 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -8.251 1.874 -15.775 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -9.057 0.288 -15.725 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -12.190 -0.840 -14.149 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -10.998 -0.549 -15.438 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -10.456 -1.073 -13.826 1.00 25.00 H new ATOM 141 N CYS A 11 -6.362 0.638 -13.517 1.00 25.00 N ATOM 142 CA CYS A 11 -4.952 0.896 -13.710 1.00 25.00 C ATOM 143 C CYS A 11 -4.704 1.173 -15.187 1.00 25.00 C ATOM 144 O CYS A 11 -5.065 0.372 -16.060 1.00 25.00 O ATOM 145 CB CYS A 11 -4.163 -0.313 -13.240 1.00 25.00 C ATOM 146 SG CYS A 11 -2.547 0.056 -12.489 1.00 25.00 S ATOM 0 H CYS A 11 -6.596 -0.350 -13.418 1.00 25.00 H new ATOM 0 HA CYS A 11 -4.632 1.764 -13.133 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -4.766 -0.860 -12.515 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -4.007 -0.977 -14.090 1.00 25.00 H new ATOM 151 N SER A 12 -4.142 2.333 -15.465 1.00 25.00 N ATOM 152 CA SER A 12 -3.921 2.774 -16.833 1.00 25.00 C ATOM 153 C SER A 12 -2.539 2.395 -17.336 1.00 25.00 C ATOM 154 O SER A 12 -1.617 2.131 -16.560 1.00 25.00 O ATOM 155 CB SER A 12 -4.084 4.283 -16.915 1.00 25.00 C ATOM 156 OG SER A 12 -5.318 4.684 -16.342 1.00 25.00 O ATOM 0 H SER A 12 -3.827 2.995 -14.756 1.00 25.00 H new ATOM 0 HA SER A 12 -4.658 2.276 -17.462 1.00 25.00 H new ATOM 0 HB2 SER A 12 -3.260 4.772 -16.396 1.00 25.00 H new ATOM 0 HB3 SER A 12 -4.039 4.603 -17.956 1.00 25.00 H new ATOM 0 HG SER A 12 -5.405 5.658 -16.402 1.00 25.00 H new ATOM 162 N LEU A 13 -2.389 2.431 -18.650 1.00 25.00 N ATOM 163 CA LEU A 13 -1.135 2.068 -19.307 1.00 25.00 C ATOM 164 C LEU A 13 0.035 2.918 -18.839 1.00 25.00 C ATOM 165 O LEU A 13 1.138 2.421 -18.695 1.00 25.00 O ATOM 166 CB LEU A 13 -1.288 2.217 -20.824 1.00 25.00 C ATOM 167 CG LEU A 13 -2.011 1.061 -21.534 1.00 25.00 C ATOM 168 CD1 LEU A 13 -2.393 1.477 -22.950 1.00 25.00 C ATOM 169 CD2 LEU A 13 -1.116 -0.171 -21.591 1.00 25.00 C ATOM 0 H LEU A 13 -3.129 2.711 -19.294 1.00 25.00 H new ATOM 0 HA LEU A 13 -0.920 1.033 -19.041 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -1.830 3.141 -21.028 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -0.296 2.326 -21.263 1.00 25.00 H new ATOM 0 HG LEU A 13 -2.912 0.819 -20.971 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -2.905 0.652 -23.446 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -3.054 2.342 -22.909 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -1.493 1.734 -23.509 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -1.643 -0.980 -22.097 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -0.204 0.067 -22.139 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -0.860 -0.482 -20.578 1.00 25.00 H new ATOM 181 N TYR A 14 -0.206 4.193 -18.579 1.00 25.00 N ATOM 182 CA TYR A 14 0.862 5.096 -18.139 1.00 25.00 C ATOM 183 C TYR A 14 1.355 4.692 -16.755 1.00 25.00 C ATOM 184 O TYR A 14 2.549 4.693 -16.471 1.00 25.00 O ATOM 185 CB TYR A 14 0.353 6.536 -18.086 1.00 25.00 C ATOM 186 CG TYR A 14 -0.894 6.728 -18.898 1.00 25.00 C ATOM 187 CD1 TYR A 14 -0.852 6.658 -20.304 1.00 25.00 C ATOM 188 CD2 TYR A 14 -2.135 6.956 -18.271 1.00 25.00 C ATOM 189 CE1 TYR A 14 -2.022 6.793 -21.068 1.00 25.00 C ATOM 190 CE2 TYR A 14 -3.313 7.099 -19.035 1.00 25.00 C ATOM 191 CZ TYR A 14 -3.249 7.014 -20.434 1.00 25.00 C ATOM 192 OH TYR A 14 -4.387 7.139 -21.185 1.00 25.00 O ATOM 0 H TYR A 14 -1.124 4.630 -18.662 1.00 25.00 H new ATOM 0 HA TYR A 14 1.682 5.028 -18.854 1.00 25.00 H new ATOM 0 HB2 TYR A 14 0.156 6.812 -17.050 1.00 25.00 H new ATOM 0 HB3 TYR A 14 1.130 7.208 -18.452 1.00 25.00 H new ATOM 0 HD1 TYR A 14 0.093 6.498 -20.801 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -2.185 7.022 -17.194 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -1.975 6.726 -22.145 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -4.260 7.273 -18.545 1.00 25.00 H new ATOM 0 HH TYR A 14 -5.154 7.288 -20.594 1.00 25.00 H new ATOM 202 N GLN A 15 0.414 4.331 -15.894 1.00 25.00 N ATOM 203 CA GLN A 15 0.742 3.938 -14.529 1.00 25.00 C ATOM 204 C GLN A 15 1.551 2.658 -14.580 1.00 25.00 C ATOM 205 O GLN A 15 2.543 2.526 -13.890 1.00 25.00 O ATOM 206 CB GLN A 15 -0.531 3.726 -13.707 1.00 25.00 C ATOM 207 CG GLN A 15 -1.416 4.970 -13.631 1.00 25.00 C ATOM 208 CD GLN A 15 -2.678 4.723 -12.847 1.00 25.00 C ATOM 209 OE1 GLN A 15 -3.571 4.044 -13.313 1.00 25.00 O ATOM 210 NE2 GLN A 15 -2.766 5.277 -11.669 1.00 25.00 N ATOM 0 H GLN A 15 -0.581 4.302 -16.115 1.00 25.00 H new ATOM 0 HA GLN A 15 1.321 4.728 -14.050 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -1.104 2.907 -14.142 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -0.257 3.422 -12.697 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -0.857 5.784 -13.169 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -1.674 5.292 -14.640 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -1.995 5.841 -11.312 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -3.606 5.146 -11.106 1.00 25.00 H new ATOM 219 N LEU A 16 1.152 1.741 -15.447 1.00 25.00 N ATOM 220 CA LEU A 16 1.893 0.495 -15.614 1.00 25.00 C ATOM 221 C LEU A 16 3.291 0.756 -16.186 1.00 25.00 C ATOM 222 O LEU A 16 4.263 0.164 -15.745 1.00 25.00 O ATOM 223 CB LEU A 16 1.115 -0.455 -16.524 1.00 25.00 C ATOM 224 CG LEU A 16 -0.228 -0.945 -15.961 1.00 25.00 C ATOM 225 CD1 LEU A 16 -0.964 -1.716 -17.037 1.00 25.00 C ATOM 226 CD2 LEU A 16 -0.060 -1.815 -14.717 1.00 25.00 C ATOM 0 H LEU A 16 0.328 1.831 -16.042 1.00 25.00 H new ATOM 0 HA LEU A 16 2.013 0.033 -14.634 1.00 25.00 H new ATOM 0 HB2 LEU A 16 0.931 0.046 -17.474 1.00 25.00 H new ATOM 0 HB3 LEU A 16 1.740 -1.322 -16.737 1.00 25.00 H new ATOM 0 HG LEU A 16 -0.802 -0.069 -15.659 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -1.918 -2.067 -16.645 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -1.141 -1.066 -17.894 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -0.363 -2.571 -17.348 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -1.040 -2.134 -14.361 1.00 25.00 H new ATOM 0 HD22 LEU A 16 0.539 -2.691 -14.964 1.00 25.00 H new ATOM 0 HD23 LEU A 16 0.441 -1.242 -13.937 1.00 25.00 H new ATOM 238 N GLU A 17 3.398 1.673 -17.137 1.00 25.00 N ATOM 239 CA GLU A 17 4.697 2.031 -17.714 1.00 25.00 C ATOM 240 C GLU A 17 5.610 2.672 -16.669 1.00 25.00 C ATOM 241 O GLU A 17 6.817 2.484 -16.706 1.00 25.00 O ATOM 242 CB GLU A 17 4.516 2.990 -18.893 1.00 25.00 C ATOM 243 CG GLU A 17 4.113 2.290 -20.190 1.00 25.00 C ATOM 244 CD GLU A 17 5.260 2.158 -21.153 1.00 25.00 C ATOM 245 OE1 GLU A 17 5.841 3.096 -21.621 1.00 25.00 O ATOM 246 OE2 GLU A 17 5.569 0.934 -21.438 1.00 25.00 O ATOM 0 H GLU A 17 2.607 2.184 -17.528 1.00 25.00 H new ATOM 0 HA GLU A 17 5.164 1.111 -18.066 1.00 25.00 H new ATOM 0 HB2 GLU A 17 3.757 3.729 -18.637 1.00 25.00 H new ATOM 0 HB3 GLU A 17 5.447 3.533 -19.056 1.00 25.00 H new ATOM 0 HG2 GLU A 17 3.722 1.299 -19.958 1.00 25.00 H new ATOM 0 HG3 GLU A 17 3.306 2.848 -20.665 1.00 25.00 H new ATOM 254 N ASN A 18 5.033 3.371 -15.702 1.00 25.00 N ATOM 255 CA ASN A 18 5.815 3.946 -14.609 1.00 25.00 C ATOM 256 C ASN A 18 6.340 2.883 -13.630 1.00 25.00 C ATOM 257 O ASN A 18 7.125 3.200 -12.745 1.00 25.00 O ATOM 258 CB ASN A 18 4.974 4.972 -13.846 1.00 25.00 C ATOM 259 CG ASN A 18 4.853 6.285 -14.576 1.00 25.00 C ATOM 260 OD1 ASN A 18 5.797 6.767 -15.171 1.00 25.00 O ATOM 261 ND2 ASN A 18 3.695 6.884 -14.511 1.00 25.00 N ATOM 0 H ASN A 18 4.031 3.555 -15.649 1.00 25.00 H new ATOM 0 HA ASN A 18 6.681 4.429 -15.061 1.00 25.00 H new ATOM 0 HB2 ASN A 18 3.978 4.564 -13.674 1.00 25.00 H new ATOM 0 HB3 ASN A 18 5.420 5.145 -12.867 1.00 25.00 H new ATOM 0 HD21 ASN A 18 3.561 7.786 -14.968 1.00 25.00 H new ATOM 0 HD22 ASN A 18 2.924 6.450 -14.003 1.00 25.00 H new ATOM 268 N TYR A 19 5.945 1.625 -13.798 1.00 25.00 N ATOM 269 CA TYR A 19 6.466 0.534 -12.958 1.00 25.00 C ATOM 270 C TYR A 19 7.531 -0.246 -13.729 1.00 25.00 C ATOM 271 O TYR A 19 7.950 -1.329 -13.315 1.00 25.00 O ATOM 272 CB TYR A 19 5.351 -0.436 -12.542 1.00 25.00 C ATOM 273 CG TYR A 19 4.100 0.201 -11.957 1.00 25.00 C ATOM 274 CD1 TYR A 19 4.136 1.461 -11.311 1.00 25.00 C ATOM 275 CD2 TYR A 19 2.861 -0.467 -12.043 1.00 25.00 C ATOM 276 CE1 TYR A 19 2.951 2.040 -10.790 1.00 25.00 C ATOM 277 CE2 TYR A 19 1.683 0.107 -11.524 1.00 25.00 C ATOM 278 CZ TYR A 19 1.734 1.357 -10.909 1.00 25.00 C ATOM 279 OH TYR A 19 0.580 1.914 -10.417 1.00 25.00 O ATOM 0 H TYR A 19 5.269 1.329 -14.503 1.00 25.00 H new ATOM 0 HA TYR A 19 6.894 0.981 -12.061 1.00 25.00 H new ATOM 0 HB2 TYR A 19 5.063 -1.023 -13.414 1.00 25.00 H new ATOM 0 HB3 TYR A 19 5.757 -1.133 -11.809 1.00 25.00 H new ATOM 0 HD1 TYR A 19 5.075 1.986 -11.214 1.00 25.00 H new ATOM 0 HD2 TYR A 19 2.814 -1.437 -12.516 1.00 25.00 H new ATOM 0 HE1 TYR A 19 2.987 3.004 -10.303 1.00 25.00 H new ATOM 0 HE2 TYR A 19 0.744 -0.420 -11.603 1.00 25.00 H new ATOM 0 HH TYR A 19 -0.172 1.309 -10.584 1.00 25.00 H new ATOM 289 N CYS A 20 7.936 0.295 -14.868 1.00 25.00 N ATOM 290 CA CYS A 20 8.928 -0.348 -15.727 1.00 25.00 C ATOM 291 C CYS A 20 10.274 0.364 -15.654 1.00 25.00 C ATOM 292 O CYS A 20 10.354 1.568 -15.430 1.00 25.00 O ATOM 293 CB CYS A 20 8.460 -0.327 -17.181 1.00 25.00 C ATOM 294 SG CYS A 20 6.883 -1.180 -17.470 1.00 25.00 S ATOM 0 H CYS A 20 7.591 1.186 -15.224 1.00 25.00 H new ATOM 0 HA CYS A 20 9.042 -1.373 -15.375 1.00 25.00 H new ATOM 0 HB2 CYS A 20 8.364 0.709 -17.505 1.00 25.00 H new ATOM 0 HB3 CYS A 20 9.228 -0.786 -17.804 1.00 25.00 H new ATOM 299 N ASN A 21 11.338 -0.394 -15.913 1.00 25.00 N ATOM 300 CA ASN A 21 12.699 0.138 -16.000 1.00 25.00 C ATOM 301 C ASN A 21 12.847 1.112 -17.176 1.00 25.00 C ATOM 302 O ASN A 21 12.543 0.877 -18.334 1.00 25.00 O ATOM 303 CB ASN A 21 13.708 -1.025 -16.103 1.00 25.00 C ATOM 304 CG ASN A 21 15.126 -0.533 -16.051 1.00 25.00 C ATOM 305 OD1 ASN A 21 15.471 0.501 -15.547 1.00 25.00 O ATOM 306 ND2 ASN A 21 16.027 -1.333 -16.602 1.00 25.00 N ATOM 307 OXT ASN A 21 13.307 2.268 -16.827 1.00 25.00 O ATOM 0 H ASN A 21 11.281 -1.400 -16.069 1.00 25.00 H new ATOM 0 HA ASN A 21 12.909 0.704 -15.092 1.00 25.00 H new ATOM 0 HB2 ASN A 21 13.537 -1.729 -15.289 1.00 25.00 H new ATOM 0 HB3 ASN A 21 13.545 -1.568 -17.034 1.00 25.00 H new ATOM 0 HD21 ASN A 21 17.013 -1.070 -16.598 1.00 25.00 H new ATOM 0 HD22 ASN A 21 15.735 -2.211 -17.030 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -4.129 -4.283 -25.681 1.00 25.00 N ATOM 317 CA PHE B 1 -4.350 -4.102 -24.221 1.00 25.00 C ATOM 318 C PHE B 1 -5.668 -3.415 -23.859 1.00 25.00 C ATOM 319 O PHE B 1 -6.214 -2.616 -24.587 1.00 25.00 O ATOM 320 CB PHE B 1 -3.176 -3.288 -23.652 1.00 25.00 C ATOM 321 CG PHE B 1 -3.105 -3.274 -22.138 1.00 25.00 C ATOM 322 CD1 PHE B 1 -3.777 -2.287 -21.404 1.00 25.00 C ATOM 323 CD2 PHE B 1 -2.367 -4.253 -21.470 1.00 25.00 C ATOM 324 CE1 PHE B 1 -3.719 -2.294 -20.010 1.00 25.00 C ATOM 325 CE2 PHE B 1 -2.308 -4.256 -20.076 1.00 25.00 C ATOM 326 CZ PHE B 1 -2.992 -3.282 -19.348 1.00 25.00 C ATOM 0 H1 PHE B 1 -3.216 -4.755 -25.838 1.00 25.00 H new ATOM 0 H2 PHE B 1 -4.893 -4.867 -26.078 1.00 25.00 H new ATOM 0 H3 PHE B 1 -4.124 -3.354 -26.149 1.00 25.00 H new ATOM 0 HA PHE B 1 -4.409 -5.099 -23.785 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -2.243 -3.694 -24.044 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -3.253 -2.261 -24.010 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -4.340 -1.521 -21.917 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -1.841 -5.009 -22.033 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -4.237 -1.534 -19.444 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -1.733 -5.012 -19.561 1.00 25.00 H new ATOM 0 HZ PHE B 1 -2.958 -3.294 -18.269 1.00 25.00 H new ATOM 337 N VAL B 2 -6.189 -3.729 -22.663 1.00 25.00 N ATOM 338 CA VAL B 2 -7.390 -3.080 -22.144 1.00 25.00 C ATOM 339 C VAL B 2 -7.155 -2.702 -20.679 1.00 25.00 C ATOM 340 O VAL B 2 -6.682 -3.511 -19.867 1.00 25.00 O ATOM 341 CB VAL B 2 -8.669 -3.976 -22.346 1.00 25.00 C ATOM 342 CG1 VAL B 2 -8.555 -5.327 -21.613 1.00 25.00 C ATOM 343 CG2 VAL B 2 -9.933 -3.233 -21.898 1.00 25.00 C ATOM 0 H VAL B 2 -5.791 -4.432 -22.040 1.00 25.00 H new ATOM 0 HA VAL B 2 -7.585 -2.167 -22.707 1.00 25.00 H new ATOM 0 HB VAL B 2 -8.743 -4.187 -23.413 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -9.460 -5.910 -21.782 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -7.694 -5.876 -21.994 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -8.430 -5.152 -20.544 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -10.803 -3.872 -22.047 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -9.849 -2.976 -20.842 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -10.047 -2.322 -22.486 1.00 25.00 H new ATOM 353 N ASN B 3 -7.436 -1.446 -20.366 1.00 25.00 N ATOM 354 CA ASN B 3 -7.284 -0.914 -19.015 1.00 25.00 C ATOM 355 C ASN B 3 -8.295 -1.597 -18.103 1.00 25.00 C ATOM 356 O ASN B 3 -9.457 -1.767 -18.458 1.00 25.00 O ATOM 357 CB ASN B 3 -7.492 0.611 -19.012 1.00 25.00 C ATOM 358 CG ASN B 3 -8.752 1.036 -19.745 1.00 25.00 C ATOM 359 OD1 ASN B 3 -8.863 0.880 -20.951 1.00 25.00 O ATOM 360 ND2 ASN B 3 -9.680 1.606 -19.032 1.00 25.00 N ATOM 0 H ASN B 3 -7.777 -0.763 -21.042 1.00 25.00 H new ATOM 0 HA ASN B 3 -6.276 -1.113 -18.652 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -7.540 0.964 -17.982 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -6.629 1.091 -19.474 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -10.534 1.939 -19.479 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -9.553 1.719 -18.026 1.00 25.00 H new ATOM 367 N GLN B 4 -7.832 -2.038 -16.944 1.00 25.00 N ATOM 368 CA GLN B 4 -8.645 -2.849 -16.044 1.00 25.00 C ATOM 369 C GLN B 4 -8.084 -2.733 -14.629 1.00 25.00 C ATOM 370 O GLN B 4 -7.080 -2.071 -14.413 1.00 25.00 O ATOM 371 CB GLN B 4 -8.598 -4.317 -16.509 1.00 25.00 C ATOM 372 CG GLN B 4 -7.192 -4.920 -16.486 1.00 25.00 C ATOM 373 CD GLN B 4 -7.133 -6.311 -17.076 1.00 25.00 C ATOM 374 OE1 GLN B 4 -7.130 -7.311 -16.358 1.00 25.00 O ATOM 375 NE2 GLN B 4 -7.049 -6.385 -18.377 1.00 25.00 N ATOM 0 H GLN B 4 -6.891 -1.847 -16.600 1.00 25.00 H new ATOM 0 HA GLN B 4 -9.678 -2.502 -16.053 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -9.251 -4.913 -15.871 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -8.996 -4.382 -17.522 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -6.515 -4.269 -17.038 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -6.834 -4.953 -15.457 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -7.055 -5.533 -18.938 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -6.978 -7.295 -18.833 1.00 25.00 H new ATOM 384 N HIS B 5 -8.709 -3.416 -13.683 1.00 25.00 N ATOM 385 CA HIS B 5 -8.177 -3.510 -12.323 1.00 25.00 C ATOM 386 C HIS B 5 -7.143 -4.644 -12.327 1.00 25.00 C ATOM 387 O HIS B 5 -7.443 -5.734 -12.813 1.00 25.00 O ATOM 388 CB HIS B 5 -9.312 -3.853 -11.346 1.00 25.00 C ATOM 389 CG HIS B 5 -10.309 -2.749 -11.163 1.00 25.00 C ATOM 390 ND1 HIS B 5 -10.087 -1.655 -10.332 1.00 25.00 N ATOM 391 CD2 HIS B 5 -11.554 -2.537 -11.676 1.00 25.00 C ATOM 392 CE1 HIS B 5 -11.139 -0.852 -10.376 1.00 25.00 C ATOM 393 NE2 HIS B 5 -12.038 -1.368 -11.169 1.00 25.00 N ATOM 0 H HIS B 5 -9.586 -3.916 -13.827 1.00 25.00 H new ATOM 0 HA HIS B 5 -7.727 -2.567 -12.012 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -9.831 -4.742 -11.704 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -8.881 -4.104 -10.377 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -9.246 -1.497 -9.777 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -12.070 -3.186 -12.368 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -11.237 0.081 -9.841 1.00 25.00 H new ATOM 402 N LEU B 6 -5.950 -4.415 -11.790 1.00 25.00 N ATOM 403 CA LEU B 6 -4.928 -5.469 -11.702 1.00 25.00 C ATOM 404 C LEU B 6 -4.543 -5.608 -10.235 1.00 25.00 C ATOM 405 O LEU B 6 -4.187 -4.627 -9.613 1.00 25.00 O ATOM 406 CB LEU B 6 -3.658 -5.119 -12.500 1.00 25.00 C ATOM 407 CG LEU B 6 -3.595 -5.047 -14.040 1.00 25.00 C ATOM 408 CD1 LEU B 6 -4.324 -6.185 -14.738 1.00 25.00 C ATOM 409 CD2 LEU B 6 -4.091 -3.727 -14.556 1.00 25.00 C ATOM 0 H LEU B 6 -5.661 -3.514 -11.408 1.00 25.00 H new ATOM 0 HA LEU B 6 -5.340 -6.388 -12.117 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -3.330 -4.145 -12.137 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -2.901 -5.843 -12.199 1.00 25.00 H new ATOM 0 HG LEU B 6 -2.538 -5.152 -14.283 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -4.235 -6.066 -15.818 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -3.883 -7.136 -14.441 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -5.377 -6.169 -14.456 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -4.031 -3.716 -15.644 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -5.127 -3.582 -14.249 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -3.476 -2.924 -14.150 1.00 25.00 H new ATOM 421 N CYS B 7 -4.638 -6.812 -9.680 1.00 25.00 N ATOM 422 CA CYS B 7 -4.392 -6.997 -8.240 1.00 25.00 C ATOM 423 C CYS B 7 -3.262 -7.988 -7.918 1.00 25.00 C ATOM 424 O CYS B 7 -2.199 -7.588 -7.479 1.00 25.00 O ATOM 425 CB CYS B 7 -5.698 -7.423 -7.558 1.00 25.00 C ATOM 426 SG CYS B 7 -5.922 -6.708 -5.900 1.00 25.00 S ATOM 0 H CYS B 7 -4.878 -7.664 -10.187 1.00 25.00 H new ATOM 0 HA CYS B 7 -4.051 -6.038 -7.850 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -6.539 -7.130 -8.187 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -5.720 -8.510 -7.482 1.00 25.00 H new ATOM 431 N GLY B 8 -3.499 -9.274 -8.160 1.00 25.00 N ATOM 432 CA GLY B 8 -2.488 -10.293 -7.893 1.00 25.00 C ATOM 433 C GLY B 8 -1.526 -10.440 -9.057 1.00 25.00 C ATOM 434 O GLY B 8 -1.044 -9.450 -9.595 1.00 25.00 O ATOM 0 H GLY B 8 -4.375 -9.634 -8.538 1.00 25.00 H new ATOM 0 HA2 GLY B 8 -1.933 -10.030 -6.992 1.00 25.00 H new ATOM 0 HA3 GLY B 8 -2.975 -11.249 -7.699 1.00 25.00 H new ATOM 438 N SER B 9 -1.314 -11.668 -9.517 1.00 25.00 N ATOM 439 CA SER B 9 -0.440 -11.935 -10.667 1.00 25.00 C ATOM 440 C SER B 9 -0.858 -11.187 -11.931 1.00 25.00 C ATOM 441 O SER B 9 -0.060 -10.977 -12.832 1.00 25.00 O ATOM 442 CB SER B 9 -0.421 -13.433 -10.941 1.00 25.00 C ATOM 443 OG SER B 9 -0.758 -14.134 -9.754 1.00 25.00 O ATOM 0 H SER B 9 -1.736 -12.503 -9.112 1.00 25.00 H new ATOM 0 HA SER B 9 0.554 -11.573 -10.406 1.00 25.00 H new ATOM 0 HB2 SER B 9 -1.128 -13.678 -11.734 1.00 25.00 H new ATOM 0 HB3 SER B 9 0.566 -13.738 -11.289 1.00 25.00 H new ATOM 0 HG SER B 9 -0.748 -15.098 -9.929 1.00 25.00 H new ATOM 449 N HIS B 10 -2.087 -10.693 -11.944 1.00 25.00 N ATOM 450 CA HIS B 10 -2.567 -9.851 -13.032 1.00 25.00 C ATOM 451 C HIS B 10 -1.693 -8.615 -13.226 1.00 25.00 C ATOM 452 O HIS B 10 -1.524 -8.154 -14.344 1.00 25.00 O ATOM 453 CB HIS B 10 -4.010 -9.420 -12.754 1.00 25.00 C ATOM 454 CG HIS B 10 -5.017 -10.119 -13.614 1.00 25.00 C ATOM 455 ND1 HIS B 10 -5.792 -9.479 -14.593 1.00 25.00 N ATOM 456 CD2 HIS B 10 -5.397 -11.421 -13.675 1.00 25.00 C ATOM 457 CE1 HIS B 10 -6.568 -10.383 -15.179 1.00 25.00 C ATOM 458 NE2 HIS B 10 -6.343 -11.554 -14.643 1.00 25.00 N ATOM 0 H HIS B 10 -2.774 -10.861 -11.209 1.00 25.00 H new ATOM 0 HA HIS B 10 -2.521 -10.439 -13.949 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -4.243 -9.611 -11.707 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -4.096 -8.344 -12.908 1.00 25.00 H new ATOM 0 HD1 HIS B 10 -5.764 -8.484 -14.817 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -5.012 -12.219 -13.057 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -7.273 -10.183 -15.972 1.00 25.00 H new ATOM 467 N LEU B 11 -1.136 -8.085 -12.146 1.00 25.00 N ATOM 468 CA LEU B 11 -0.304 -6.887 -12.230 1.00 25.00 C ATOM 469 C LEU B 11 0.981 -7.179 -12.988 1.00 25.00 C ATOM 470 O LEU B 11 1.305 -6.492 -13.946 1.00 25.00 O ATOM 471 CB LEU B 11 0.002 -6.372 -10.819 1.00 25.00 C ATOM 472 CG LEU B 11 -0.341 -4.896 -10.567 1.00 25.00 C ATOM 473 CD1 LEU B 11 -0.466 -4.672 -9.079 1.00 25.00 C ATOM 474 CD2 LEU B 11 0.701 -3.947 -11.153 1.00 25.00 C ATOM 0 H LEU B 11 -1.243 -8.462 -11.204 1.00 25.00 H new ATOM 0 HA LEU B 11 -0.846 -6.116 -12.777 1.00 25.00 H new ATOM 0 HB2 LEU B 11 -0.546 -6.982 -10.101 1.00 25.00 H new ATOM 0 HB3 LEU B 11 1.063 -6.520 -10.619 1.00 25.00 H new ATOM 0 HG LEU B 11 -1.284 -4.677 -11.068 1.00 25.00 H new ATOM 0 HD11 LEU B 11 -0.709 -3.627 -8.888 1.00 25.00 H new ATOM 0 HD12 LEU B 11 -1.257 -5.308 -8.681 1.00 25.00 H new ATOM 0 HD13 LEU B 11 0.478 -4.919 -8.593 1.00 25.00 H new ATOM 0 HD21 LEU B 11 0.411 -2.917 -10.947 1.00 25.00 H new ATOM 0 HD22 LEU B 11 1.672 -4.148 -10.700 1.00 25.00 H new ATOM 0 HD23 LEU B 11 0.765 -4.098 -12.231 1.00 25.00 H new ATOM 486 N VAL B 12 1.685 -8.233 -12.603 1.00 25.00 N ATOM 487 CA VAL B 12 2.936 -8.579 -13.279 1.00 25.00 C ATOM 488 C VAL B 12 2.676 -9.082 -14.695 1.00 25.00 C ATOM 489 O VAL B 12 3.472 -8.843 -15.586 1.00 25.00 O ATOM 490 CB VAL B 12 3.802 -9.596 -12.472 1.00 25.00 C ATOM 491 CG1 VAL B 12 4.362 -8.919 -11.217 1.00 25.00 C ATOM 492 CG2 VAL B 12 3.013 -10.845 -12.075 1.00 25.00 C ATOM 0 H VAL B 12 1.422 -8.857 -11.840 1.00 25.00 H new ATOM 0 HA VAL B 12 3.517 -7.659 -13.341 1.00 25.00 H new ATOM 0 HB VAL B 12 4.617 -9.916 -13.121 1.00 25.00 H new ATOM 0 HG11 VAL B 12 4.966 -9.633 -10.657 1.00 25.00 H new ATOM 0 HG12 VAL B 12 4.980 -8.070 -11.507 1.00 25.00 H new ATOM 0 HG13 VAL B 12 3.539 -8.572 -10.593 1.00 25.00 H new ATOM 0 HG21 VAL B 12 3.660 -11.521 -11.516 1.00 25.00 H new ATOM 0 HG22 VAL B 12 2.165 -10.557 -11.454 1.00 25.00 H new ATOM 0 HG23 VAL B 12 2.652 -11.348 -12.972 1.00 25.00 H new ATOM 502 N GLU B 13 1.527 -9.701 -14.934 1.00 25.00 N ATOM 503 CA GLU B 13 1.155 -10.102 -16.289 1.00 25.00 C ATOM 504 C GLU B 13 0.954 -8.859 -17.161 1.00 25.00 C ATOM 505 O GLU B 13 1.399 -8.819 -18.304 1.00 25.00 O ATOM 506 CB GLU B 13 -0.132 -10.928 -16.269 1.00 25.00 C ATOM 507 CG GLU B 13 0.058 -12.358 -15.767 1.00 25.00 C ATOM 508 CD GLU B 13 -1.250 -13.078 -15.573 1.00 25.00 C ATOM 509 OE1 GLU B 13 -2.118 -12.698 -14.824 1.00 25.00 O ATOM 510 OE2 GLU B 13 -1.363 -14.143 -16.297 1.00 25.00 O ATOM 0 H GLU B 13 0.841 -9.936 -14.217 1.00 25.00 H new ATOM 0 HA GLU B 13 1.958 -10.712 -16.704 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -0.865 -10.426 -15.637 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -0.548 -10.959 -17.276 1.00 25.00 H new ATOM 0 HG2 GLU B 13 0.672 -12.911 -16.478 1.00 25.00 H new ATOM 0 HG3 GLU B 13 0.603 -12.339 -14.823 1.00 25.00 H new ATOM 518 N ALA B 14 0.311 -7.834 -16.620 1.00 25.00 N ATOM 519 CA ALA B 14 0.097 -6.603 -17.368 1.00 25.00 C ATOM 520 C ALA B 14 1.437 -5.925 -17.653 1.00 25.00 C ATOM 521 O ALA B 14 1.654 -5.418 -18.743 1.00 25.00 O ATOM 522 CB ALA B 14 -0.823 -5.666 -16.593 1.00 25.00 C ATOM 0 H ALA B 14 -0.069 -7.829 -15.673 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.381 -6.845 -18.318 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -0.974 -4.750 -17.164 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -1.784 -6.154 -16.428 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -0.370 -5.424 -15.632 1.00 25.00 H new ATOM 528 N LEU B 15 2.342 -5.942 -16.686 1.00 25.00 N ATOM 529 CA LEU B 15 3.664 -5.349 -16.887 1.00 25.00 C ATOM 530 C LEU B 15 4.493 -6.140 -17.888 1.00 25.00 C ATOM 531 O LEU B 15 5.250 -5.569 -18.670 1.00 25.00 O ATOM 532 CB LEU B 15 4.418 -5.244 -15.567 1.00 25.00 C ATOM 533 CG LEU B 15 3.802 -4.314 -14.520 1.00 25.00 C ATOM 534 CD1 LEU B 15 4.697 -4.266 -13.288 1.00 25.00 C ATOM 535 CD2 LEU B 15 3.598 -2.926 -15.089 1.00 25.00 C ATOM 0 H LEU B 15 2.193 -6.353 -15.765 1.00 25.00 H new ATOM 0 HA LEU B 15 3.505 -4.349 -17.291 1.00 25.00 H new ATOM 0 HB2 LEU B 15 4.499 -6.242 -15.136 1.00 25.00 H new ATOM 0 HB3 LEU B 15 5.432 -4.904 -15.776 1.00 25.00 H new ATOM 0 HG LEU B 15 2.825 -4.703 -14.233 1.00 25.00 H new ATOM 0 HD11 LEU B 15 4.256 -3.603 -12.544 1.00 25.00 H new ATOM 0 HD12 LEU B 15 4.794 -5.268 -12.870 1.00 25.00 H new ATOM 0 HD13 LEU B 15 5.682 -3.893 -13.568 1.00 25.00 H new ATOM 0 HD21 LEU B 15 3.159 -2.281 -14.327 1.00 25.00 H new ATOM 0 HD22 LEU B 15 4.558 -2.516 -15.402 1.00 25.00 H new ATOM 0 HD23 LEU B 15 2.929 -2.980 -15.948 1.00 25.00 H new ATOM 547 N TYR B 16 4.320 -7.447 -17.893 1.00 25.00 N ATOM 548 CA TYR B 16 4.999 -8.293 -18.860 1.00 25.00 C ATOM 549 C TYR B 16 4.498 -7.937 -20.262 1.00 25.00 C ATOM 550 O TYR B 16 5.281 -7.823 -21.190 1.00 25.00 O ATOM 551 CB TYR B 16 4.732 -9.769 -18.559 1.00 25.00 C ATOM 552 CG TYR B 16 5.252 -10.699 -19.629 1.00 25.00 C ATOM 553 CD1 TYR B 16 6.603 -11.104 -19.644 1.00 25.00 C ATOM 554 CD2 TYR B 16 4.397 -11.171 -20.647 1.00 25.00 C ATOM 555 CE1 TYR B 16 7.093 -11.971 -20.661 1.00 25.00 C ATOM 556 CE2 TYR B 16 4.885 -12.034 -21.665 1.00 25.00 C ATOM 557 CZ TYR B 16 6.225 -12.428 -21.659 1.00 25.00 C ATOM 558 OH TYR B 16 6.685 -13.267 -22.642 1.00 25.00 O ATOM 0 H TYR B 16 3.717 -7.947 -17.240 1.00 25.00 H new ATOM 0 HA TYR B 16 6.075 -8.126 -18.800 1.00 25.00 H new ATOM 0 HB2 TYR B 16 5.194 -10.028 -17.606 1.00 25.00 H new ATOM 0 HB3 TYR B 16 3.659 -9.921 -18.445 1.00 25.00 H new ATOM 0 HD1 TYR B 16 7.274 -10.752 -18.874 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.359 -10.873 -20.653 1.00 25.00 H new ATOM 0 HE1 TYR B 16 8.129 -12.275 -20.662 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.221 -12.384 -22.442 1.00 25.00 H new ATOM 0 HH TYR B 16 5.951 -13.488 -23.253 1.00 25.00 H new ATOM 568 N LEU B 17 3.200 -7.714 -20.404 1.00 25.00 N ATOM 569 CA LEU B 17 2.640 -7.327 -21.700 1.00 25.00 C ATOM 570 C LEU B 17 3.033 -5.907 -22.128 1.00 25.00 C ATOM 571 O LEU B 17 3.252 -5.658 -23.305 1.00 25.00 O ATOM 572 CB LEU B 17 1.110 -7.428 -21.664 1.00 25.00 C ATOM 573 CG LEU B 17 0.533 -8.853 -21.577 1.00 25.00 C ATOM 574 CD1 LEU B 17 -0.968 -8.775 -21.297 1.00 25.00 C ATOM 575 CD2 LEU B 17 0.779 -9.640 -22.867 1.00 25.00 C ATOM 0 H LEU B 17 2.517 -7.792 -19.650 1.00 25.00 H new ATOM 0 HA LEU B 17 3.057 -8.019 -22.432 1.00 25.00 H new ATOM 0 HB2 LEU B 17 0.747 -6.857 -20.809 1.00 25.00 H new ATOM 0 HB3 LEU B 17 0.712 -6.950 -22.559 1.00 25.00 H new ATOM 0 HG LEU B 17 1.039 -9.377 -20.766 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.379 -9.782 -21.235 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -1.136 -8.256 -20.353 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -1.461 -8.231 -22.103 1.00 25.00 H new ATOM 0 HD21 LEU B 17 0.358 -10.641 -22.769 1.00 25.00 H new ATOM 0 HD22 LEU B 17 0.303 -9.127 -23.703 1.00 25.00 H new ATOM 0 HD23 LEU B 17 1.851 -9.714 -23.049 1.00 25.00 H new ATOM 587 N VAL B 18 3.071 -4.969 -21.188 1.00 25.00 N ATOM 588 CA VAL B 18 3.312 -3.560 -21.529 1.00 25.00 C ATOM 589 C VAL B 18 4.803 -3.204 -21.687 1.00 25.00 C ATOM 590 O VAL B 18 5.143 -2.233 -22.363 1.00 25.00 O ATOM 591 CB VAL B 18 2.614 -2.606 -20.484 1.00 25.00 C ATOM 592 CG1 VAL B 18 3.458 -2.391 -19.234 1.00 25.00 C ATOM 593 CG2 VAL B 18 2.286 -1.260 -21.123 1.00 25.00 C ATOM 0 H VAL B 18 2.940 -5.149 -20.193 1.00 25.00 H new ATOM 0 HA VAL B 18 2.864 -3.407 -22.511 1.00 25.00 H new ATOM 0 HB VAL B 18 1.692 -3.100 -20.176 1.00 25.00 H new ATOM 0 HG11 VAL B 18 2.931 -1.727 -18.549 1.00 25.00 H new ATOM 0 HG12 VAL B 18 3.636 -3.349 -18.746 1.00 25.00 H new ATOM 0 HG13 VAL B 18 4.412 -1.943 -19.512 1.00 25.00 H new ATOM 0 HG21 VAL B 18 1.805 -0.615 -20.387 1.00 25.00 H new ATOM 0 HG22 VAL B 18 3.205 -0.789 -21.472 1.00 25.00 H new ATOM 0 HG23 VAL B 18 1.613 -1.412 -21.967 1.00 25.00 H new ATOM 603 N CYS B 19 5.684 -3.972 -21.055 1.00 25.00 N ATOM 604 CA CYS B 19 7.124 -3.688 -21.081 1.00 25.00 C ATOM 605 C CYS B 19 8.019 -4.918 -21.292 1.00 25.00 C ATOM 606 O CYS B 19 9.107 -4.814 -21.857 1.00 25.00 O ATOM 607 CB CYS B 19 7.521 -3.045 -19.759 1.00 25.00 C ATOM 608 SG CYS B 19 6.840 -1.381 -19.486 1.00 25.00 S ATOM 0 H CYS B 19 5.430 -4.800 -20.515 1.00 25.00 H new ATOM 0 HA CYS B 19 7.281 -3.033 -21.938 1.00 25.00 H new ATOM 0 HB2 CYS B 19 7.198 -3.693 -18.944 1.00 25.00 H new ATOM 0 HB3 CYS B 19 8.608 -2.990 -19.710 1.00 25.00 H new ATOM 613 N GLY B 20 7.599 -6.076 -20.813 1.00 25.00 N ATOM 614 CA GLY B 20 8.398 -7.278 -20.986 1.00 25.00 C ATOM 615 C GLY B 20 9.727 -7.231 -20.256 1.00 25.00 C ATOM 616 O GLY B 20 9.781 -7.017 -19.048 1.00 25.00 O ATOM 0 H GLY B 20 6.723 -6.210 -20.308 1.00 25.00 H new ATOM 0 HA2 GLY B 20 7.828 -8.137 -20.632 1.00 25.00 H new ATOM 0 HA3 GLY B 20 8.582 -7.433 -22.049 1.00 25.00 H new ATOM 620 N GLU B 21 10.809 -7.420 -21.002 1.00 25.00 N ATOM 621 CA GLU B 21 12.163 -7.454 -20.432 1.00 25.00 C ATOM 622 C GLU B 21 12.598 -6.127 -19.807 1.00 25.00 C ATOM 623 O GLU B 21 13.420 -6.112 -18.899 1.00 25.00 O ATOM 624 CB GLU B 21 13.174 -7.833 -21.515 1.00 25.00 C ATOM 625 CG GLU B 21 13.010 -9.257 -22.044 1.00 25.00 C ATOM 626 CD GLU B 21 14.064 -9.619 -23.053 1.00 25.00 C ATOM 627 OE1 GLU B 21 14.866 -8.847 -23.487 1.00 25.00 O ATOM 628 OE2 GLU B 21 14.018 -10.848 -23.426 1.00 25.00 O ATOM 0 H GLU B 21 10.780 -7.554 -22.013 1.00 25.00 H new ATOM 0 HA GLU B 21 12.135 -8.198 -19.636 1.00 25.00 H new ATOM 0 HB2 GLU B 21 13.080 -7.134 -22.346 1.00 25.00 H new ATOM 0 HB3 GLU B 21 14.181 -7.719 -21.114 1.00 25.00 H new ATOM 0 HG2 GLU B 21 13.053 -9.958 -21.211 1.00 25.00 H new ATOM 0 HG3 GLU B 21 12.025 -9.362 -22.498 1.00 25.00 H new ATOM 636 N ARG B 22 12.036 -5.015 -20.268 1.00 25.00 N ATOM 637 CA ARG B 22 12.366 -3.700 -19.697 1.00 25.00 C ATOM 638 C ARG B 22 11.334 -3.309 -18.646 1.00 25.00 C ATOM 639 O ARG B 22 11.161 -2.137 -18.337 1.00 25.00 O ATOM 640 CB ARG B 22 12.448 -2.628 -20.794 1.00 25.00 C ATOM 641 CG ARG B 22 11.155 -2.443 -21.589 1.00 25.00 C ATOM 642 CD ARG B 22 11.117 -1.128 -22.338 1.00 25.00 C ATOM 643 NE ARG B 22 11.097 0.016 -21.412 1.00 25.00 N ATOM 644 CZ ARG B 22 10.830 1.271 -21.749 1.00 25.00 C ATOM 645 NH1 ARG B 22 10.537 1.622 -22.979 1.00 25.00 N ATOM 646 NH2 ARG B 22 10.860 2.188 -20.825 1.00 25.00 N ATOM 0 H ARG B 22 11.356 -4.990 -21.028 1.00 25.00 H new ATOM 0 HA ARG B 22 13.344 -3.770 -19.221 1.00 25.00 H new ATOM 0 HB2 ARG B 22 12.719 -1.676 -20.337 1.00 25.00 H new ATOM 0 HB3 ARG B 22 13.251 -2.890 -21.483 1.00 25.00 H new ATOM 0 HG2 ARG B 22 11.048 -3.264 -22.298 1.00 25.00 H new ATOM 0 HG3 ARG B 22 10.304 -2.495 -20.910 1.00 25.00 H new ATOM 0 HD2 ARG B 22 11.986 -1.054 -22.991 1.00 25.00 H new ATOM 0 HD3 ARG B 22 10.234 -1.097 -22.977 1.00 25.00 H new ATOM 0 HE ARG B 22 11.305 -0.171 -20.431 1.00 25.00 H new ATOM 0 HH11 ARG B 22 10.508 0.919 -23.717 1.00 25.00 H new ATOM 0 HH12 ARG B 22 10.338 2.598 -23.197 1.00 25.00 H new ATOM 0 HH21 ARG B 22 11.086 1.935 -19.863 1.00 25.00 H new ATOM 0 HH22 ARG B 22 10.658 3.159 -21.063 1.00 25.00 H new ATOM 660 N GLY B 23 10.617 -4.298 -18.145 1.00 25.00 N ATOM 661 CA GLY B 23 9.568 -4.064 -17.169 1.00 25.00 C ATOM 662 C GLY B 23 10.044 -4.099 -15.735 1.00 25.00 C ATOM 663 O GLY B 23 10.974 -3.397 -15.347 1.00 25.00 O ATOM 0 H GLY B 23 10.743 -5.278 -18.400 1.00 25.00 H new ATOM 0 HA2 GLY B 23 9.112 -3.094 -17.366 1.00 25.00 H new ATOM 0 HA3 GLY B 23 8.789 -4.815 -17.301 1.00 25.00 H new ATOM 667 N PHE B 24 9.369 -4.924 -14.954 1.00 25.00 N ATOM 668 CA PHE B 24 9.665 -5.123 -13.547 1.00 25.00 C ATOM 669 C PHE B 24 10.701 -6.231 -13.426 1.00 25.00 C ATOM 670 O PHE B 24 11.012 -6.907 -14.404 1.00 25.00 O ATOM 671 CB PHE B 24 8.389 -5.554 -12.817 1.00 25.00 C ATOM 672 CG PHE B 24 7.883 -6.908 -13.250 1.00 25.00 C ATOM 673 CD1 PHE B 24 7.151 -7.058 -14.446 1.00 25.00 C ATOM 674 CD2 PHE B 24 8.151 -8.050 -12.472 1.00 25.00 C ATOM 675 CE1 PHE B 24 6.695 -8.321 -14.859 1.00 25.00 C ATOM 676 CE2 PHE B 24 7.709 -9.327 -12.887 1.00 25.00 C ATOM 677 CZ PHE B 24 6.982 -9.462 -14.085 1.00 25.00 C ATOM 0 H PHE B 24 8.585 -5.485 -15.287 1.00 25.00 H new ATOM 0 HA PHE B 24 10.042 -4.199 -13.109 1.00 25.00 H new ATOM 0 HB2 PHE B 24 8.581 -5.571 -11.744 1.00 25.00 H new ATOM 0 HB3 PHE B 24 7.611 -4.811 -12.990 1.00 25.00 H new ATOM 0 HD1 PHE B 24 6.938 -6.190 -15.053 1.00 25.00 H new ATOM 0 HD2 PHE B 24 8.700 -7.949 -11.548 1.00 25.00 H new ATOM 0 HE1 PHE B 24 6.124 -8.417 -15.771 1.00 25.00 H new ATOM 0 HE2 PHE B 24 7.929 -10.197 -12.286 1.00 25.00 H new ATOM 0 HZ PHE B 24 6.646 -10.436 -14.409 1.00 25.00 H new ATOM 687 N PHE B 25 11.173 -6.462 -12.215 1.00 25.00 N ATOM 688 CA PHE B 25 12.116 -7.546 -11.955 1.00 25.00 C ATOM 689 C PHE B 25 11.775 -8.258 -10.645 1.00 25.00 C ATOM 690 O PHE B 25 12.017 -7.741 -9.561 1.00 25.00 O ATOM 691 CB PHE B 25 13.544 -6.992 -11.926 1.00 25.00 C ATOM 692 CG PHE B 25 14.566 -7.953 -12.451 1.00 25.00 C ATOM 693 CD1 PHE B 25 15.196 -8.875 -11.596 1.00 25.00 C ATOM 694 CD2 PHE B 25 14.905 -7.943 -13.816 1.00 25.00 C ATOM 695 CE1 PHE B 25 16.174 -9.777 -12.100 1.00 25.00 C ATOM 696 CE2 PHE B 25 15.878 -8.836 -14.329 1.00 25.00 C ATOM 697 CZ PHE B 25 16.508 -9.758 -13.469 1.00 25.00 C ATOM 0 H PHE B 25 10.921 -5.915 -11.391 1.00 25.00 H new ATOM 0 HA PHE B 25 12.043 -8.280 -12.757 1.00 25.00 H new ATOM 0 HB2 PHE B 25 13.582 -6.075 -12.514 1.00 25.00 H new ATOM 0 HB3 PHE B 25 13.801 -6.724 -10.901 1.00 25.00 H new ATOM 0 HD1 PHE B 25 14.935 -8.898 -10.548 1.00 25.00 H new ATOM 0 HD2 PHE B 25 14.418 -7.246 -14.481 1.00 25.00 H new ATOM 0 HE1 PHE B 25 16.660 -10.475 -11.434 1.00 25.00 H new ATOM 0 HE2 PHE B 25 16.137 -8.810 -15.377 1.00 25.00 H new ATOM 0 HZ PHE B 25 17.243 -10.447 -13.857 1.00 25.00 H new HETATM 707 N NVA B 26 11.159 -9.454 -10.780 1.00 25.00 N HETATM 708 CA NVA B 26 10.713 -10.323 -9.639 1.00 25.00 C HETATM 709 CB NVA B 26 9.301 -10.936 -9.942 1.00 25.00 C HETATM 710 CG NVA B 26 8.709 -11.755 -8.743 1.00 25.00 C HETATM 711 CD NVA B 26 7.429 -12.549 -9.124 1.00 25.00 C HETATM 712 C NVA B 26 11.724 -11.435 -9.258 1.00 25.00 C HETATM 713 O NVA B 26 11.866 -11.794 -8.107 1.00 25.00 O HETATM 0 HG3 NVA B 26 9.465 -12.449 -8.376 1.00 25.00 H new HETATM 0 HG2 NVA B 26 8.477 -11.074 -7.924 1.00 25.00 H new HETATM 0 HD3 NVA B 26 6.659 -11.856 -9.464 1.00 25.00 H new HETATM 0 HB3 NVA B 26 8.611 -10.132 -10.199 1.00 25.00 H new HETATM 0 HB2 NVA B 26 9.374 -11.585 -10.815 1.00 25.00 H new HETATM 0 HA NVA B 26 10.653 -9.671 -8.768 1.00 25.00 H new HETATM 0 H NVA B 26 10.560 -9.338 -11.597 1.00 25.00 H new ATOM 722 N THR B 27 12.395 -11.991 -10.315 1.00 25.00 N ATOM 723 CA THR B 27 13.241 -13.192 -10.347 1.00 25.00 C ATOM 724 C THR B 27 12.323 -14.428 -10.293 1.00 25.00 C ATOM 725 O THR B 27 11.143 -14.306 -9.973 1.00 25.00 O ATOM 726 CB THR B 27 14.323 -13.228 -9.242 1.00 25.00 C ATOM 727 OG1 THR B 27 13.758 -13.652 -8.003 1.00 25.00 O ATOM 728 CG2 THR B 27 15.012 -11.879 -9.053 1.00 25.00 C ATOM 0 H THR B 27 12.342 -11.560 -11.238 1.00 25.00 H new ATOM 0 HA THR B 27 13.810 -13.182 -11.277 1.00 25.00 H new ATOM 0 HB THR B 27 15.078 -13.943 -9.568 1.00 25.00 H new ATOM 0 HG1 THR B 27 12.870 -13.252 -7.894 1.00 25.00 H new ATOM 0 HG21 THR B 27 15.762 -11.960 -8.266 1.00 25.00 H new ATOM 0 HG22 THR B 27 15.494 -11.583 -9.985 1.00 25.00 H new ATOM 0 HG23 THR B 27 14.272 -11.129 -8.773 1.00 25.00 H new ATOM 736 N PRO B 28 12.816 -15.611 -10.714 1.00 25.00 N ATOM 737 CA PRO B 28 11.852 -16.721 -10.744 1.00 25.00 C ATOM 738 C PRO B 28 11.460 -17.260 -9.362 1.00 25.00 C ATOM 739 O PRO B 28 12.295 -17.783 -8.614 1.00 25.00 O ATOM 740 CB PRO B 28 12.586 -17.785 -11.565 1.00 25.00 C ATOM 741 CG PRO B 28 14.019 -17.536 -11.296 1.00 25.00 C ATOM 742 CD PRO B 28 14.139 -16.034 -11.222 1.00 25.00 C ATOM 0 HA PRO B 28 10.897 -16.405 -11.162 1.00 25.00 H new ATOM 0 HB2 PRO B 28 12.294 -18.791 -11.263 1.00 25.00 H new ATOM 0 HB3 PRO B 28 12.360 -17.693 -12.627 1.00 25.00 H new ATOM 0 HG2 PRO B 28 14.334 -18.005 -10.364 1.00 25.00 H new ATOM 0 HG3 PRO B 28 14.647 -17.945 -12.087 1.00 25.00 H new ATOM 0 HD2 PRO B 28 14.943 -15.727 -10.553 1.00 25.00 H new ATOM 0 HD3 PRO B 28 14.353 -15.599 -12.198 1.00 25.00 H new HETATM 750 N HIX B 29 10.141 -17.167 -9.071 1.00 25.00 N HETATM 751 CA HIX B 29 9.464 -17.691 -7.851 1.00 25.00 C HETATM 752 C HIX B 29 9.736 -19.204 -7.691 1.00 25.00 C HETATM 753 O HIX B 29 9.136 -20.054 -8.330 1.00 25.00 O HETATM 754 CB HIX B 29 7.924 -17.417 -7.889 1.00 25.00 C HETATM 755 CG HIX B 29 7.597 -15.937 -7.916 1.00 25.00 C HETATM 756 CD2 HIX B 29 7.937 -15.045 -8.909 1.00 25.00 C HETATM 757 ND1 HIX B 29 6.874 -15.214 -6.989 1.00 25.00 N HETATM 758 NE1 HIX B 29 6.683 -13.865 -7.294 1.00 25.00 N HETATM 759 NE2 HIX B 29 7.393 -13.858 -8.496 1.00 25.00 N ATOM 766 N THR B 30 10.739 -19.527 -6.836 1.00 25.00 N ATOM 767 CA THR B 30 11.273 -20.904 -6.619 1.00 25.00 C ATOM 768 C THR B 30 11.731 -21.118 -5.180 1.00 25.00 C ATOM 769 O THR B 30 11.222 -21.927 -4.438 1.00 25.00 O ATOM 770 CB THR B 30 12.439 -21.215 -7.598 1.00 25.00 C ATOM 771 OG1 THR B 30 13.371 -20.139 -7.529 1.00 25.00 O ATOM 772 CG2 THR B 30 11.997 -21.356 -9.065 1.00 25.00 C ATOM 773 OXT THR B 30 12.731 -20.362 -4.812 1.00 25.00 O ATOM 0 H THR B 30 11.211 -18.826 -6.265 1.00 25.00 H new ATOM 0 HA THR B 30 10.452 -21.593 -6.818 1.00 25.00 H new ATOM 0 HB THR B 30 12.864 -22.171 -7.293 1.00 25.00 H new ATOM 0 HG1 THR B 30 12.987 -19.346 -7.958 1.00 25.00 H new ATOM 0 HG21 THR B 30 12.865 -21.573 -9.687 1.00 25.00 H new ATOM 0 HG22 THR B 30 11.277 -22.169 -9.151 1.00 25.00 H new ATOM 0 HG23 THR B 30 11.536 -20.426 -9.397 1.00 25.00 H new TER 782 THR B 30