USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 385 hydrogens (10 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 20 DAL H2 : B 20 DAL N : B 19 CYS C :(H bumps) USER MOD NoAdj-H: B 23 DAL H2 : B 23 DAL N : B 22 ARG C :(H bumps) USER MOD NoAdj-H: B 23 DAL H : B 23 DAL N : B 22 ARG C :(H bumps) USER MOD Set 1.1: A 5 GLN : amide:sc= -0.575 K(o=-2.2,f=-7.1!) USER MOD Set 1.2: A 12 SER OG : rot -95:sc= -0.763! USER MOD Set 1.3: A 15 GLN : amide:sc= -0.845! C(o=-2.2!,f=-9.5!) USER MOD Single : A 1 GLY N :NH3+ 170:sc= 0 (180deg=-0.0789) USER MOD Single : A 8 THR OG1 : rot -167:sc= -1.86! USER MOD Single : A 9 SER OG : rot 180:sc= 0.0073 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.278 K(o=-0.28,f=-3.1!) USER MOD Single : A 19 TYR OH : rot 0:sc= -5.65! USER MOD Single : A 21 ASN : amide:sc= -2.41 K(o=-2.4,f=-3!) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -4.39! C(o=-4.4!,f=-7.1!) USER MOD Single : B 4 GLN : amide:sc=-0.00504 X(o=-0.005,f=-0.25) USER MOD Single : B 5 HIS : no HD1:sc= -3.91! C(o=-3.9!,f=-6.3!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0504 USER MOD Single : B 10 HIS :FLIP no HE2:sc= 0.223 F(o=-2!,f=0.22) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 43:sc= -1.42 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.864 1.877 2.107 1.00 0.00 N ATOM 2 CA GLY A 1 -8.471 2.066 1.503 1.00 0.00 C ATOM 3 C GLY A 1 -7.593 3.161 2.007 1.00 0.00 C ATOM 4 O GLY A 1 -8.052 4.110 2.611 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.400 1.192 1.536 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.775 1.522 3.080 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.365 2.788 2.116 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.930 1.129 1.631 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.598 2.217 0.431 1.00 0.00 H new ATOM 10 N ILE A 2 -6.311 3.061 1.775 1.00 0.00 N ATOM 11 CA ILE A 2 -5.382 4.123 2.252 1.00 0.00 C ATOM 12 C ILE A 2 -4.936 4.979 1.068 1.00 0.00 C ATOM 13 O ILE A 2 -3.977 5.718 1.148 1.00 0.00 O ATOM 14 CB ILE A 2 -4.162 3.468 2.905 1.00 0.00 C ATOM 15 CG1 ILE A 2 -3.429 4.502 3.762 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.216 2.929 1.828 1.00 0.00 C ATOM 17 CD1 ILE A 2 -4.174 4.689 5.083 1.00 0.00 C ATOM 0 H ILE A 2 -5.868 2.289 1.276 1.00 0.00 H new ATOM 0 HA ILE A 2 -5.889 4.756 2.981 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.492 2.640 3.532 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.407 4.174 3.952 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -3.366 5.451 3.230 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.351 2.465 2.302 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.738 2.189 1.222 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.884 3.749 1.192 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -3.652 5.426 5.694 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -5.188 5.036 4.883 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -4.214 3.739 5.616 1.00 0.00 H new ATOM 29 N VAL A 3 -5.626 4.878 -0.031 1.00 0.00 N ATOM 30 CA VAL A 3 -5.255 5.676 -1.228 1.00 0.00 C ATOM 31 C VAL A 3 -4.896 7.103 -0.809 1.00 0.00 C ATOM 32 O VAL A 3 -4.110 7.769 -1.451 1.00 0.00 O ATOM 33 CB VAL A 3 -6.443 5.707 -2.184 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.015 6.337 -3.506 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.931 4.279 -2.434 1.00 0.00 C ATOM 0 H VAL A 3 -6.437 4.272 -0.152 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.393 5.225 -1.719 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.249 6.296 -1.745 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.863 6.360 -4.190 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.665 7.354 -3.328 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.210 5.748 -3.946 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.780 4.299 -3.117 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.125 3.691 -2.874 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.236 3.828 -1.490 1.00 0.00 H new ATOM 45 N GLU A 4 -5.468 7.575 0.262 1.00 0.00 N ATOM 46 CA GLU A 4 -5.162 8.958 0.721 1.00 0.00 C ATOM 47 C GLU A 4 -3.678 9.062 1.084 1.00 0.00 C ATOM 48 O GLU A 4 -3.120 10.138 1.150 1.00 0.00 O ATOM 49 CB GLU A 4 -6.009 9.282 1.953 1.00 0.00 C ATOM 50 CG GLU A 4 -5.794 8.205 3.018 1.00 0.00 C ATOM 51 CD GLU A 4 -7.135 7.839 3.656 1.00 0.00 C ATOM 52 OE1 GLU A 4 -7.501 8.480 4.627 1.00 0.00 O ATOM 53 OE2 GLU A 4 -7.772 6.924 3.162 1.00 0.00 O ATOM 0 H GLU A 4 -6.135 7.063 0.840 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.390 9.664 -0.077 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.735 10.260 2.349 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.063 9.333 1.680 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.340 7.321 2.569 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.104 8.566 3.780 1.00 0.00 H new ATOM 60 N GLN A 5 -3.037 7.953 1.327 1.00 0.00 N ATOM 61 CA GLN A 5 -1.593 7.990 1.692 1.00 0.00 C ATOM 62 C GLN A 5 -0.742 7.533 0.503 1.00 0.00 C ATOM 63 O GLN A 5 0.293 8.101 0.216 1.00 0.00 O ATOM 64 CB GLN A 5 -1.346 7.060 2.880 1.00 0.00 C ATOM 65 CG GLN A 5 0.150 7.025 3.201 1.00 0.00 C ATOM 66 CD GLN A 5 0.421 5.953 4.257 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.474 5.234 4.654 1.00 0.00 O ATOM 68 NE2 GLN A 5 1.629 5.813 4.732 1.00 0.00 N ATOM 0 H GLN A 5 -3.451 7.022 1.289 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.317 9.010 1.959 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.907 7.406 3.748 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.703 6.056 2.649 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.722 6.813 2.297 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.478 7.999 3.564 1.00 0.00 H new ATOM 0 HE21 GLN A 5 2.381 6.416 4.399 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.821 5.100 5.436 1.00 0.00 H new ATOM 77 N CYS A 6 -1.163 6.508 -0.187 1.00 0.00 N ATOM 78 CA CYS A 6 -0.366 6.017 -1.348 1.00 0.00 C ATOM 79 C CYS A 6 -0.571 6.946 -2.546 1.00 0.00 C ATOM 80 O CYS A 6 0.090 6.822 -3.559 1.00 0.00 O ATOM 81 CB CYS A 6 -0.816 4.601 -1.712 1.00 0.00 C ATOM 82 SG CYS A 6 -0.804 3.560 -0.231 1.00 0.00 S ATOM 0 H CYS A 6 -2.021 5.991 0.002 1.00 0.00 H new ATOM 0 HA CYS A 6 0.691 6.005 -1.082 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.817 4.626 -2.143 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -0.154 4.181 -2.469 1.00 0.00 H new ATOM 87 N CYS A 7 -1.477 7.877 -2.441 1.00 0.00 N ATOM 88 CA CYS A 7 -1.718 8.812 -3.574 1.00 0.00 C ATOM 89 C CYS A 7 -1.608 10.254 -3.076 1.00 0.00 C ATOM 90 O CYS A 7 -0.743 11.000 -3.485 1.00 0.00 O ATOM 91 CB CYS A 7 -3.113 8.573 -4.139 1.00 0.00 C ATOM 92 SG CYS A 7 -3.052 8.679 -5.943 1.00 0.00 S ATOM 0 H CYS A 7 -2.061 8.031 -1.619 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.976 8.640 -4.354 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.479 7.593 -3.833 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.810 9.312 -3.743 1.00 0.00 H new ATOM 97 N THR A 8 -2.476 10.652 -2.187 1.00 0.00 N ATOM 98 CA THR A 8 -2.412 12.043 -1.660 1.00 0.00 C ATOM 99 C THR A 8 -1.081 12.239 -0.935 1.00 0.00 C ATOM 100 O THR A 8 -0.643 13.350 -0.702 1.00 0.00 O ATOM 101 CB THR A 8 -3.566 12.276 -0.683 1.00 0.00 C ATOM 102 OG1 THR A 8 -4.629 11.383 -0.989 1.00 0.00 O ATOM 103 CG2 THR A 8 -4.057 13.718 -0.806 1.00 0.00 C ATOM 0 H THR A 8 -3.225 10.075 -1.804 1.00 0.00 H new ATOM 0 HA THR A 8 -2.492 12.752 -2.484 1.00 0.00 H new ATOM 0 HB THR A 8 -3.223 12.098 0.336 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.438 11.661 -0.510 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.879 13.883 -0.110 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.241 14.401 -0.572 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.402 13.899 -1.824 1.00 0.00 H new ATOM 111 N SER A 9 -0.431 11.165 -0.580 1.00 0.00 N ATOM 112 CA SER A 9 0.875 11.275 0.125 1.00 0.00 C ATOM 113 C SER A 9 1.823 10.199 -0.407 1.00 0.00 C ATOM 114 O SER A 9 1.617 9.653 -1.473 1.00 0.00 O ATOM 115 CB SER A 9 0.666 11.075 1.625 1.00 0.00 C ATOM 116 OG SER A 9 1.662 11.796 2.338 1.00 0.00 O ATOM 0 H SER A 9 -0.751 10.211 -0.749 1.00 0.00 H new ATOM 0 HA SER A 9 1.304 12.262 -0.049 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.327 11.420 1.915 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.720 10.015 1.873 1.00 0.00 H new ATOM 0 HG SER A 9 1.530 11.671 3.301 1.00 0.00 H new ATOM 122 N ILE A 10 2.860 9.890 0.320 1.00 0.00 N ATOM 123 CA ILE A 10 3.812 8.851 -0.150 1.00 0.00 C ATOM 124 C ILE A 10 3.646 7.584 0.692 1.00 0.00 C ATOM 125 O ILE A 10 3.816 7.602 1.896 1.00 0.00 O ATOM 126 CB ILE A 10 5.241 9.377 -0.008 1.00 0.00 C ATOM 127 CG1 ILE A 10 5.430 10.592 -0.920 1.00 0.00 C ATOM 128 CG2 ILE A 10 6.224 8.281 -0.408 1.00 0.00 C ATOM 129 CD1 ILE A 10 5.240 11.874 -0.110 1.00 0.00 C ATOM 0 H ILE A 10 3.088 10.313 1.220 1.00 0.00 H new ATOM 0 HA ILE A 10 3.610 8.616 -1.195 1.00 0.00 H new ATOM 0 HB ILE A 10 5.422 9.669 1.026 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.425 10.575 -1.365 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.714 10.559 -1.741 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.244 8.653 -0.308 1.00 0.00 H new ATOM 0 HG22 ILE A 10 6.088 7.416 0.241 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.044 7.990 -1.443 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.375 12.738 -0.760 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.236 11.891 0.313 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.974 11.908 0.695 1.00 0.00 H new ATOM 141 N CYS A 11 3.315 6.485 0.071 1.00 0.00 N ATOM 142 CA CYS A 11 3.138 5.220 0.836 1.00 0.00 C ATOM 143 C CYS A 11 4.473 4.473 0.904 1.00 0.00 C ATOM 144 O CYS A 11 5.163 4.326 -0.083 1.00 0.00 O ATOM 145 CB CYS A 11 2.100 4.338 0.137 1.00 0.00 C ATOM 146 SG CYS A 11 0.519 4.452 1.010 1.00 0.00 S ATOM 0 H CYS A 11 3.160 6.409 -0.934 1.00 0.00 H new ATOM 0 HA CYS A 11 2.797 5.453 1.845 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.978 4.654 -0.899 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.442 3.303 0.117 1.00 0.00 H new ATOM 151 N SER A 12 4.841 4.000 2.065 1.00 0.00 N ATOM 152 CA SER A 12 6.128 3.261 2.193 1.00 0.00 C ATOM 153 C SER A 12 5.862 1.760 2.072 1.00 0.00 C ATOM 154 O SER A 12 4.991 1.221 2.727 1.00 0.00 O ATOM 155 CB SER A 12 6.755 3.560 3.555 1.00 0.00 C ATOM 156 OG SER A 12 5.853 3.172 4.583 1.00 0.00 O ATOM 0 H SER A 12 4.306 4.094 2.928 1.00 0.00 H new ATOM 0 HA SER A 12 6.811 3.576 1.404 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.697 3.022 3.660 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.983 4.623 3.638 1.00 0.00 H new ATOM 0 HG SER A 12 5.325 3.948 4.865 1.00 0.00 H new ATOM 162 N LEU A 13 6.600 1.080 1.237 1.00 0.00 N ATOM 163 CA LEU A 13 6.384 -0.386 1.074 1.00 0.00 C ATOM 164 C LEU A 13 6.181 -1.030 2.445 1.00 0.00 C ATOM 165 O LEU A 13 5.469 -2.004 2.585 1.00 0.00 O ATOM 166 CB LEU A 13 7.604 -1.010 0.393 1.00 0.00 C ATOM 167 CG LEU A 13 8.877 -0.535 1.092 1.00 0.00 C ATOM 168 CD1 LEU A 13 9.496 -1.696 1.872 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.876 -0.034 0.046 1.00 0.00 C ATOM 0 H LEU A 13 7.343 1.476 0.661 1.00 0.00 H new ATOM 0 HA LEU A 13 5.499 -0.555 0.460 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.539 -2.097 0.432 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.629 -0.730 -0.660 1.00 0.00 H new ATOM 0 HG LEU A 13 8.633 0.275 1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.404 -1.356 2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.785 -2.054 2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.740 -2.506 1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.785 0.305 0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.120 -0.844 -0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.436 0.794 -0.510 1.00 0.00 H new ATOM 181 N TYR A 14 6.796 -0.490 3.460 1.00 0.00 N ATOM 182 CA TYR A 14 6.629 -1.073 4.819 1.00 0.00 C ATOM 183 C TYR A 14 5.160 -0.955 5.233 1.00 0.00 C ATOM 184 O TYR A 14 4.547 -1.911 5.661 1.00 0.00 O ATOM 185 CB TYR A 14 7.507 -0.312 5.814 1.00 0.00 C ATOM 186 CG TYR A 14 8.106 -1.285 6.800 1.00 0.00 C ATOM 187 CD1 TYR A 14 7.404 -1.625 7.963 1.00 0.00 C ATOM 188 CD2 TYR A 14 9.365 -1.848 6.552 1.00 0.00 C ATOM 189 CE1 TYR A 14 7.959 -2.528 8.878 1.00 0.00 C ATOM 190 CE2 TYR A 14 9.920 -2.753 7.467 1.00 0.00 C ATOM 191 CZ TYR A 14 9.217 -3.091 8.632 1.00 0.00 C ATOM 192 OH TYR A 14 9.765 -3.982 9.533 1.00 0.00 O ATOM 0 H TYR A 14 7.405 0.327 3.407 1.00 0.00 H new ATOM 0 HA TYR A 14 6.926 -2.122 4.811 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.298 0.220 5.285 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.915 0.437 6.340 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.434 -1.190 8.154 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.908 -1.585 5.656 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.416 -2.790 9.774 1.00 0.00 H new ATOM 0 HE2 TYR A 14 10.889 -3.190 7.275 1.00 0.00 H new ATOM 0 HH TYR A 14 10.641 -4.278 9.209 1.00 0.00 H new ATOM 202 N GLN A 15 4.590 0.211 5.098 1.00 0.00 N ATOM 203 CA GLN A 15 3.160 0.386 5.476 1.00 0.00 C ATOM 204 C GLN A 15 2.287 -0.392 4.495 1.00 0.00 C ATOM 205 O GLN A 15 1.248 -0.915 4.847 1.00 0.00 O ATOM 206 CB GLN A 15 2.792 1.872 5.418 1.00 0.00 C ATOM 207 CG GLN A 15 3.025 2.511 6.788 1.00 0.00 C ATOM 208 CD GLN A 15 4.346 3.282 6.774 1.00 0.00 C ATOM 209 OE1 GLN A 15 4.468 4.288 6.107 1.00 0.00 O ATOM 210 NE2 GLN A 15 5.348 2.847 7.489 1.00 0.00 N ATOM 0 H GLN A 15 5.052 1.048 4.743 1.00 0.00 H new ATOM 0 HA GLN A 15 3.000 0.015 6.488 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.394 2.377 4.663 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.749 1.988 5.124 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.202 3.183 7.032 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.049 1.742 7.560 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.245 2.001 8.050 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.234 3.353 7.487 1.00 0.00 H new ATOM 219 N LEU A 16 2.707 -0.473 3.263 1.00 0.00 N ATOM 220 CA LEU A 16 1.915 -1.214 2.248 1.00 0.00 C ATOM 221 C LEU A 16 1.779 -2.674 2.659 1.00 0.00 C ATOM 222 O LEU A 16 0.749 -3.291 2.475 1.00 0.00 O ATOM 223 CB LEU A 16 2.645 -1.165 0.914 1.00 0.00 C ATOM 224 CG LEU A 16 2.321 0.136 0.197 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.066 0.150 -1.127 1.00 0.00 C ATOM 226 CD2 LEU A 16 0.815 0.222 -0.058 1.00 0.00 C ATOM 0 H LEU A 16 3.570 -0.055 2.916 1.00 0.00 H new ATOM 0 HA LEU A 16 0.929 -0.757 2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.720 -1.245 1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.351 -2.014 0.297 1.00 0.00 H new ATOM 0 HG LEU A 16 2.624 0.987 0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.847 1.076 -1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.138 0.083 -0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.748 -0.699 -1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.586 1.155 -0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.502 -0.619 -0.677 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.283 0.191 0.893 1.00 0.00 H new ATOM 238 N GLU A 17 2.819 -3.246 3.191 1.00 0.00 N ATOM 239 CA GLU A 17 2.748 -4.674 3.580 1.00 0.00 C ATOM 240 C GLU A 17 1.564 -4.895 4.524 1.00 0.00 C ATOM 241 O GLU A 17 1.099 -6.004 4.702 1.00 0.00 O ATOM 242 CB GLU A 17 4.047 -5.088 4.276 1.00 0.00 C ATOM 243 CG GLU A 17 4.116 -4.441 5.660 1.00 0.00 C ATOM 244 CD GLU A 17 3.963 -5.518 6.736 1.00 0.00 C ATOM 245 OE1 GLU A 17 4.618 -6.541 6.620 1.00 0.00 O ATOM 246 OE2 GLU A 17 3.197 -5.301 7.660 1.00 0.00 O ATOM 0 H GLU A 17 3.712 -2.787 3.372 1.00 0.00 H new ATOM 0 HA GLU A 17 2.612 -5.281 2.685 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.092 -6.173 4.368 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.905 -4.783 3.678 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.066 -3.922 5.783 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.329 -3.694 5.764 1.00 0.00 H new ATOM 253 N ASN A 18 1.069 -3.849 5.130 1.00 0.00 N ATOM 254 CA ASN A 18 -0.085 -4.004 6.059 1.00 0.00 C ATOM 255 C ASN A 18 -1.367 -4.220 5.251 1.00 0.00 C ATOM 256 O ASN A 18 -2.400 -4.566 5.787 1.00 0.00 O ATOM 257 CB ASN A 18 -0.227 -2.741 6.912 1.00 0.00 C ATOM 258 CG ASN A 18 -0.585 -3.135 8.347 1.00 0.00 C ATOM 259 OD1 ASN A 18 -0.813 -4.293 8.633 1.00 0.00 O ATOM 260 ND2 ASN A 18 -0.644 -2.212 9.268 1.00 0.00 N ATOM 0 H ASN A 18 1.414 -2.895 5.021 1.00 0.00 H new ATOM 0 HA ASN A 18 0.085 -4.864 6.707 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.704 -2.174 6.900 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.000 -2.094 6.497 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.882 -2.463 10.228 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.453 -1.239 9.028 1.00 0.00 H new ATOM 267 N TYR A 19 -1.308 -4.016 3.963 1.00 0.00 N ATOM 268 CA TYR A 19 -2.523 -4.210 3.122 1.00 0.00 C ATOM 269 C TYR A 19 -2.479 -5.595 2.472 1.00 0.00 C ATOM 270 O TYR A 19 -3.447 -6.056 1.903 1.00 0.00 O ATOM 271 CB TYR A 19 -2.564 -3.135 2.035 1.00 0.00 C ATOM 272 CG TYR A 19 -2.606 -1.770 2.680 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.422 -1.168 3.125 1.00 0.00 C ATOM 274 CD2 TYR A 19 -3.831 -1.108 2.837 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.462 0.098 3.724 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.869 0.158 3.439 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.685 0.761 3.882 1.00 0.00 C ATOM 278 OH TYR A 19 -2.723 2.006 4.474 1.00 0.00 O ATOM 0 H TYR A 19 -0.472 -3.724 3.457 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.414 -4.132 3.745 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.688 -3.219 1.392 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.439 -3.277 1.401 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.478 -1.680 3.006 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.744 -1.572 2.495 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.548 0.563 4.064 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.813 0.669 3.561 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.815 2.277 4.724 1.00 0.00 H new ATOM 288 N CYS A 20 -1.360 -6.260 2.555 1.00 0.00 N ATOM 289 CA CYS A 20 -1.252 -7.613 1.944 1.00 0.00 C ATOM 290 C CYS A 20 -2.004 -8.627 2.810 1.00 0.00 C ATOM 291 O CYS A 20 -2.235 -8.406 3.982 1.00 0.00 O ATOM 292 CB CYS A 20 0.222 -8.012 1.859 1.00 0.00 C ATOM 293 SG CYS A 20 0.352 -9.750 1.377 1.00 0.00 S ATOM 0 H CYS A 20 -0.516 -5.924 3.020 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.686 -7.598 0.944 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.738 -7.383 1.134 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.708 -7.854 2.822 1.00 0.00 H new ATOM 298 N ASN A 21 -2.387 -9.738 2.244 1.00 0.00 N ATOM 299 CA ASN A 21 -3.122 -10.764 3.036 1.00 0.00 C ATOM 300 C ASN A 21 -2.169 -11.905 3.401 1.00 0.00 C ATOM 301 O ASN A 21 -1.683 -11.908 4.520 1.00 0.00 O ATOM 302 CB ASN A 21 -4.282 -11.318 2.206 1.00 0.00 C ATOM 303 CG ASN A 21 -5.395 -10.270 2.119 1.00 0.00 C ATOM 304 OD1 ASN A 21 -5.314 -9.228 2.738 1.00 0.00 O ATOM 305 ND2 ASN A 21 -6.437 -10.505 1.371 1.00 0.00 N ATOM 306 OXT ASN A 21 -1.942 -12.754 2.556 1.00 0.00 O ATOM 0 H ASN A 21 -2.223 -9.980 1.267 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.512 -10.308 3.946 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.935 -11.579 1.206 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.664 -12.232 2.660 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.184 -9.814 1.306 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.505 -11.380 0.851 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 13.311 1.808 -4.897 1.00 0.00 N ATOM 315 CA PHE B 1 12.332 2.500 -4.011 1.00 0.00 C ATOM 316 C PHE B 1 12.564 4.011 -4.078 1.00 0.00 C ATOM 317 O PHE B 1 13.667 4.488 -3.893 1.00 0.00 O ATOM 318 CB PHE B 1 12.518 2.018 -2.570 1.00 0.00 C ATOM 319 CG PHE B 1 11.629 2.822 -1.652 1.00 0.00 C ATOM 320 CD1 PHE B 1 10.268 2.971 -1.947 1.00 0.00 C ATOM 321 CD2 PHE B 1 12.167 3.418 -0.503 1.00 0.00 C ATOM 322 CE1 PHE B 1 9.443 3.716 -1.094 1.00 0.00 C ATOM 323 CE2 PHE B 1 11.341 4.163 0.350 1.00 0.00 C ATOM 324 CZ PHE B 1 9.979 4.311 0.054 1.00 0.00 C ATOM 0 H1 PHE B 1 13.154 0.781 -4.852 1.00 0.00 H new ATOM 0 H2 PHE B 1 13.185 2.135 -5.876 1.00 0.00 H new ATOM 0 H3 PHE B 1 14.278 2.025 -4.582 1.00 0.00 H new ATOM 0 HA PHE B 1 11.318 2.273 -4.341 1.00 0.00 H new ATOM 0 HB2 PHE B 1 12.273 0.959 -2.495 1.00 0.00 H new ATOM 0 HB3 PHE B 1 13.561 2.126 -2.271 1.00 0.00 H new ATOM 0 HD1 PHE B 1 9.854 2.511 -2.832 1.00 0.00 H new ATOM 0 HD2 PHE B 1 13.216 3.303 -0.275 1.00 0.00 H new ATOM 0 HE1 PHE B 1 8.394 3.831 -1.322 1.00 0.00 H new ATOM 0 HE2 PHE B 1 11.754 4.623 1.235 1.00 0.00 H new ATOM 0 HZ PHE B 1 9.343 4.884 0.712 1.00 0.00 H new ATOM 336 N VAL B 2 11.535 4.767 -4.343 1.00 0.00 N ATOM 337 CA VAL B 2 11.698 6.246 -4.422 1.00 0.00 C ATOM 338 C VAL B 2 10.418 6.929 -3.931 1.00 0.00 C ATOM 339 O VAL B 2 9.330 6.414 -4.087 1.00 0.00 O ATOM 340 CB VAL B 2 11.970 6.651 -5.872 1.00 0.00 C ATOM 341 CG1 VAL B 2 13.467 6.530 -6.164 1.00 0.00 C ATOM 342 CG2 VAL B 2 11.194 5.727 -6.810 1.00 0.00 C ATOM 0 H VAL B 2 10.588 4.425 -4.508 1.00 0.00 H new ATOM 0 HA VAL B 2 12.535 6.554 -3.795 1.00 0.00 H new ATOM 0 HB VAL B 2 11.652 7.682 -6.028 1.00 0.00 H new ATOM 0 HG11 VAL B 2 13.661 6.819 -7.197 1.00 0.00 H new ATOM 0 HG12 VAL B 2 14.023 7.186 -5.494 1.00 0.00 H new ATOM 0 HG13 VAL B 2 13.786 5.499 -6.009 1.00 0.00 H new ATOM 0 HG21 VAL B 2 11.386 6.014 -7.844 1.00 0.00 H new ATOM 0 HG22 VAL B 2 11.514 4.697 -6.653 1.00 0.00 H new ATOM 0 HG23 VAL B 2 10.127 5.811 -6.603 1.00 0.00 H new ATOM 352 N ASN B 3 10.543 8.084 -3.337 1.00 0.00 N ATOM 353 CA ASN B 3 9.336 8.799 -2.832 1.00 0.00 C ATOM 354 C ASN B 3 8.467 9.237 -4.006 1.00 0.00 C ATOM 355 O ASN B 3 8.804 10.149 -4.735 1.00 0.00 O ATOM 356 CB ASN B 3 9.771 10.030 -2.032 1.00 0.00 C ATOM 357 CG ASN B 3 9.205 9.947 -0.613 1.00 0.00 C ATOM 358 OD1 ASN B 3 8.247 10.620 -0.289 1.00 0.00 O ATOM 359 ND2 ASN B 3 9.761 9.145 0.253 1.00 0.00 N ATOM 0 H ASN B 3 11.429 8.564 -3.179 1.00 0.00 H new ATOM 0 HA ASN B 3 8.763 8.130 -2.191 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.859 10.088 -1.997 1.00 0.00 H new ATOM 0 HB3 ASN B 3 9.419 10.938 -2.522 1.00 0.00 H new ATOM 0 HD21 ASN B 3 9.391 9.083 1.202 1.00 0.00 H new ATOM 0 HD22 ASN B 3 10.565 8.580 -0.019 1.00 0.00 H new ATOM 366 N GLN B 4 7.348 8.595 -4.198 1.00 0.00 N ATOM 367 CA GLN B 4 6.459 8.976 -5.324 1.00 0.00 C ATOM 368 C GLN B 4 5.045 8.466 -5.042 1.00 0.00 C ATOM 369 O GLN B 4 4.836 7.295 -4.800 1.00 0.00 O ATOM 370 CB GLN B 4 6.988 8.346 -6.613 1.00 0.00 C ATOM 371 CG GLN B 4 6.879 9.360 -7.748 1.00 0.00 C ATOM 372 CD GLN B 4 6.979 8.639 -9.093 1.00 0.00 C ATOM 373 OE1 GLN B 4 6.214 7.736 -9.371 1.00 0.00 O ATOM 374 NE2 GLN B 4 7.896 9.002 -9.949 1.00 0.00 N ATOM 0 H GLN B 4 7.013 7.823 -3.622 1.00 0.00 H new ATOM 0 HA GLN B 4 6.437 10.060 -5.432 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.026 8.038 -6.482 1.00 0.00 H new ATOM 0 HB3 GLN B 4 6.418 7.449 -6.854 1.00 0.00 H new ATOM 0 HG2 GLN B 4 5.932 9.895 -7.681 1.00 0.00 H new ATOM 0 HG3 GLN B 4 7.672 10.103 -7.663 1.00 0.00 H new ATOM 0 HE21 GLN B 4 8.539 9.759 -9.717 1.00 0.00 H new ATOM 0 HE22 GLN B 4 7.970 8.528 -10.849 1.00 0.00 H new ATOM 383 N HIS B 5 4.071 9.335 -5.066 1.00 0.00 N ATOM 384 CA HIS B 5 2.673 8.891 -4.796 1.00 0.00 C ATOM 385 C HIS B 5 2.190 8.021 -5.955 1.00 0.00 C ATOM 386 O HIS B 5 2.595 8.205 -7.086 1.00 0.00 O ATOM 387 CB HIS B 5 1.760 10.112 -4.661 1.00 0.00 C ATOM 388 CG HIS B 5 2.520 11.246 -4.028 1.00 0.00 C ATOM 389 ND1 HIS B 5 3.637 11.787 -4.630 1.00 0.00 N ATOM 390 CD2 HIS B 5 2.315 11.924 -2.857 1.00 0.00 C ATOM 391 CE1 HIS B 5 4.073 12.763 -3.822 1.00 0.00 C ATOM 392 NE2 HIS B 5 3.296 12.884 -2.724 1.00 0.00 N ATOM 0 H HIS B 5 4.182 10.330 -5.260 1.00 0.00 H new ATOM 0 HA HIS B 5 2.646 8.318 -3.869 1.00 0.00 H new ATOM 0 HB2 HIS B 5 1.390 10.412 -5.642 1.00 0.00 H new ATOM 0 HB3 HIS B 5 0.889 9.862 -4.055 1.00 0.00 H new ATOM 0 HD2 HIS B 5 1.517 11.738 -2.153 1.00 0.00 H new ATOM 0 HE1 HIS B 5 4.938 13.377 -4.024 1.00 0.00 H new ATOM 0 HE2 HIS B 5 3.411 13.547 -1.957 1.00 0.00 H new ATOM 400 N LEU B 6 1.335 7.071 -5.692 1.00 0.00 N ATOM 401 CA LEU B 6 0.848 6.197 -6.795 1.00 0.00 C ATOM 402 C LEU B 6 -0.642 5.893 -6.622 1.00 0.00 C ATOM 403 O LEU B 6 -1.165 5.856 -5.526 1.00 0.00 O ATOM 404 CB LEU B 6 1.622 4.877 -6.788 1.00 0.00 C ATOM 405 CG LEU B 6 2.905 5.013 -7.612 1.00 0.00 C ATOM 406 CD1 LEU B 6 2.609 5.675 -8.959 1.00 0.00 C ATOM 407 CD2 LEU B 6 3.913 5.861 -6.843 1.00 0.00 C ATOM 0 H LEU B 6 0.955 6.864 -4.768 1.00 0.00 H new ATOM 0 HA LEU B 6 1.003 6.719 -7.739 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.867 4.596 -5.764 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.001 4.080 -7.197 1.00 0.00 H new ATOM 0 HG LEU B 6 3.315 4.019 -7.791 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.532 5.764 -9.532 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.895 5.067 -9.514 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.189 6.667 -8.792 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.827 5.959 -7.428 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.492 6.849 -6.659 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.141 5.381 -5.891 1.00 0.00 H new ATOM 419 N CYS B 7 -1.315 5.656 -7.712 1.00 0.00 N ATOM 420 CA CYS B 7 -2.765 5.323 -7.665 1.00 0.00 C ATOM 421 C CYS B 7 -3.049 4.200 -8.656 1.00 0.00 C ATOM 422 O CYS B 7 -2.146 3.555 -9.149 1.00 0.00 O ATOM 423 CB CYS B 7 -3.602 6.551 -8.032 1.00 0.00 C ATOM 424 SG CYS B 7 -4.342 7.251 -6.537 1.00 0.00 S ATOM 0 H CYS B 7 -0.914 5.679 -8.650 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.029 5.006 -6.656 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -2.976 7.296 -8.523 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -4.383 6.273 -8.740 1.00 0.00 H new ATOM 429 N GLY B 8 -4.295 3.964 -8.949 1.00 0.00 N ATOM 430 CA GLY B 8 -4.649 2.885 -9.914 1.00 0.00 C ATOM 431 C GLY B 8 -3.758 1.662 -9.684 1.00 0.00 C ATOM 432 O GLY B 8 -3.352 1.372 -8.575 1.00 0.00 O ATOM 0 H GLY B 8 -5.089 4.474 -8.561 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.697 2.609 -9.795 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.528 3.246 -10.935 1.00 0.00 H new ATOM 436 N SER B 9 -3.455 0.941 -10.728 1.00 0.00 N ATOM 437 CA SER B 9 -2.600 -0.268 -10.580 1.00 0.00 C ATOM 438 C SER B 9 -1.197 0.125 -10.099 1.00 0.00 C ATOM 439 O SER B 9 -0.497 -0.666 -9.499 1.00 0.00 O ATOM 440 CB SER B 9 -2.486 -0.981 -11.925 1.00 0.00 C ATOM 441 OG SER B 9 -2.396 -0.015 -12.965 1.00 0.00 O ATOM 0 H SER B 9 -3.764 1.139 -11.680 1.00 0.00 H new ATOM 0 HA SER B 9 -3.057 -0.931 -9.845 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.607 -1.625 -11.934 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.353 -1.623 -12.084 1.00 0.00 H new ATOM 0 HG SER B 9 -2.321 -0.471 -13.829 1.00 0.00 H new ATOM 447 N HIS B 10 -0.775 1.331 -10.365 1.00 0.00 N ATOM 448 CA HIS B 10 0.593 1.756 -9.933 1.00 0.00 C ATOM 449 C HIS B 10 0.709 1.681 -8.411 1.00 0.00 C ATOM 450 O HIS B 10 1.686 1.191 -7.881 1.00 0.00 O ATOM 451 CB HIS B 10 0.877 3.198 -10.379 1.00 0.00 C ATOM 452 CG HIS B 10 0.100 3.520 -11.623 1.00 0.00 C ATOM 453 ND1 HIS B 10 -1.132 4.085 -11.785 1.00 0.00 N flip ATOM 454 CD2 HIS B 10 0.604 3.255 -12.880 1.00 0.00 C flip ATOM 455 CE1 HIS B 10 -1.406 4.174 -13.133 1.00 0.00 C flip ATOM 456 NE2 HIS B 10 -0.327 3.658 -13.756 1.00 0.00 N flip ATOM 0 H HIS B 10 -1.314 2.041 -10.861 1.00 0.00 H new ATOM 0 HA HIS B 10 1.317 1.085 -10.395 1.00 0.00 H new ATOM 0 HB2 HIS B 10 0.607 3.892 -9.583 1.00 0.00 H new ATOM 0 HB3 HIS B 10 1.943 3.325 -10.565 1.00 0.00 H new ATOM 0 HD1 HIS B 10 -1.749 4.391 -11.032 1.00 0.00 H new ATOM 0 HD2 HIS B 10 1.560 2.810 -13.112 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -2.298 4.573 -13.594 1.00 0.00 H new ATOM 464 N LEU B 11 -0.268 2.171 -7.701 1.00 0.00 N ATOM 465 CA LEU B 11 -0.187 2.130 -6.216 1.00 0.00 C ATOM 466 C LEU B 11 -0.266 0.676 -5.732 1.00 0.00 C ATOM 467 O LEU B 11 0.361 0.299 -4.762 1.00 0.00 O ATOM 468 CB LEU B 11 -1.315 2.982 -5.622 1.00 0.00 C ATOM 469 CG LEU B 11 -2.506 2.113 -5.230 1.00 0.00 C ATOM 470 CD1 LEU B 11 -2.341 1.651 -3.786 1.00 0.00 C ATOM 471 CD2 LEU B 11 -3.772 2.937 -5.355 1.00 0.00 C ATOM 0 H LEU B 11 -1.114 2.595 -8.082 1.00 0.00 H new ATOM 0 HA LEU B 11 0.765 2.542 -5.882 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.948 3.519 -4.747 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.630 3.732 -6.348 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.564 1.242 -5.883 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.191 1.030 -3.503 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.422 1.073 -3.692 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -2.292 2.520 -3.129 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -4.632 2.327 -5.077 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -3.711 3.801 -4.693 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.885 3.276 -6.385 1.00 0.00 H new ATOM 483 N VAL B 12 -1.017 -0.147 -6.412 1.00 0.00 N ATOM 484 CA VAL B 12 -1.108 -1.574 -5.984 1.00 0.00 C ATOM 485 C VAL B 12 0.095 -2.326 -6.529 1.00 0.00 C ATOM 486 O VAL B 12 0.651 -3.175 -5.867 1.00 0.00 O ATOM 487 CB VAL B 12 -2.395 -2.241 -6.483 1.00 0.00 C ATOM 488 CG1 VAL B 12 -3.399 -2.304 -5.342 1.00 0.00 C ATOM 489 CG2 VAL B 12 -3.010 -1.441 -7.623 1.00 0.00 C ATOM 0 H VAL B 12 -1.566 0.101 -7.235 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.123 -1.603 -4.894 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.151 -3.242 -6.839 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.317 -2.777 -5.691 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.980 -2.885 -4.521 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.620 -1.294 -4.996 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.922 -1.932 -7.962 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.247 -0.435 -7.275 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.302 -1.382 -8.449 1.00 0.00 H new ATOM 499 N GLU B 13 0.523 -2.010 -7.720 1.00 0.00 N ATOM 500 CA GLU B 13 1.715 -2.707 -8.269 1.00 0.00 C ATOM 501 C GLU B 13 2.784 -2.696 -7.183 1.00 0.00 C ATOM 502 O GLU B 13 3.563 -3.619 -7.045 1.00 0.00 O ATOM 503 CB GLU B 13 2.222 -1.979 -9.513 1.00 0.00 C ATOM 504 CG GLU B 13 1.596 -2.604 -10.761 1.00 0.00 C ATOM 505 CD GLU B 13 2.308 -3.919 -11.085 1.00 0.00 C ATOM 506 OE1 GLU B 13 3.491 -3.874 -11.380 1.00 0.00 O ATOM 507 OE2 GLU B 13 1.658 -4.951 -11.033 1.00 0.00 O ATOM 0 H GLU B 13 0.104 -1.308 -8.329 1.00 0.00 H new ATOM 0 HA GLU B 13 1.467 -3.729 -8.556 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.968 -0.921 -9.457 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.309 -2.043 -9.567 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.534 -2.784 -10.597 1.00 0.00 H new ATOM 0 HG3 GLU B 13 1.676 -1.917 -11.604 1.00 0.00 H new ATOM 514 N ALA B 14 2.785 -1.669 -6.374 1.00 0.00 N ATOM 515 CA ALA B 14 3.756 -1.607 -5.253 1.00 0.00 C ATOM 516 C ALA B 14 3.332 -2.669 -4.244 1.00 0.00 C ATOM 517 O ALA B 14 4.120 -3.493 -3.825 1.00 0.00 O ATOM 518 CB ALA B 14 3.712 -0.222 -4.601 1.00 0.00 C ATOM 0 H ALA B 14 2.153 -0.872 -6.445 1.00 0.00 H new ATOM 0 HA ALA B 14 4.773 -1.783 -5.604 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.427 -0.184 -3.779 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.968 0.537 -5.341 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.709 -0.032 -4.218 1.00 0.00 H new ATOM 524 N LEU B 15 2.076 -2.675 -3.879 1.00 0.00 N ATOM 525 CA LEU B 15 1.588 -3.713 -2.929 1.00 0.00 C ATOM 526 C LEU B 15 1.781 -5.079 -3.585 1.00 0.00 C ATOM 527 O LEU B 15 2.358 -5.988 -3.020 1.00 0.00 O ATOM 528 CB LEU B 15 0.104 -3.490 -2.649 1.00 0.00 C ATOM 529 CG LEU B 15 -0.043 -2.490 -1.510 1.00 0.00 C ATOM 530 CD1 LEU B 15 -1.493 -2.030 -1.422 1.00 0.00 C ATOM 531 CD2 LEU B 15 0.363 -3.160 -0.195 1.00 0.00 C ATOM 0 H LEU B 15 1.372 -2.009 -4.197 1.00 0.00 H new ATOM 0 HA LEU B 15 2.139 -3.659 -1.990 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.396 -3.118 -3.543 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.375 -4.433 -2.386 1.00 0.00 H new ATOM 0 HG LEU B 15 0.598 -1.628 -1.694 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.599 -1.314 -0.607 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.782 -1.557 -2.360 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.137 -2.890 -1.236 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.259 -2.448 0.623 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.281 -4.020 -0.011 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.400 -3.490 -0.260 1.00 0.00 H new ATOM 543 N TYR B 16 1.310 -5.210 -4.792 1.00 0.00 N ATOM 544 CA TYR B 16 1.457 -6.488 -5.535 1.00 0.00 C ATOM 545 C TYR B 16 2.871 -7.030 -5.330 1.00 0.00 C ATOM 546 O TYR B 16 3.084 -8.223 -5.235 1.00 0.00 O ATOM 547 CB TYR B 16 1.222 -6.211 -7.023 1.00 0.00 C ATOM 548 CG TYR B 16 0.272 -7.233 -7.591 1.00 0.00 C ATOM 549 CD1 TYR B 16 0.262 -8.535 -7.083 1.00 0.00 C ATOM 550 CD2 TYR B 16 -0.599 -6.875 -8.628 1.00 0.00 C ATOM 551 CE1 TYR B 16 -0.623 -9.486 -7.612 1.00 0.00 C ATOM 552 CE2 TYR B 16 -1.483 -7.825 -9.158 1.00 0.00 C ATOM 553 CZ TYR B 16 -1.495 -9.131 -8.650 1.00 0.00 C ATOM 554 OH TYR B 16 -2.366 -10.065 -9.171 1.00 0.00 O ATOM 0 H TYR B 16 0.822 -4.473 -5.302 1.00 0.00 H new ATOM 0 HA TYR B 16 0.737 -7.222 -5.174 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.814 -5.209 -7.155 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.169 -6.243 -7.562 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.935 -8.809 -6.284 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.589 -5.868 -9.019 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -0.632 -10.492 -7.219 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.155 -7.550 -9.958 1.00 0.00 H new ATOM 0 HH TYR B 16 -2.900 -9.653 -9.882 1.00 0.00 H new ATOM 564 N LEU B 17 3.840 -6.160 -5.261 1.00 0.00 N ATOM 565 CA LEU B 17 5.238 -6.613 -5.061 1.00 0.00 C ATOM 566 C LEU B 17 5.524 -6.731 -3.565 1.00 0.00 C ATOM 567 O LEU B 17 6.303 -7.560 -3.136 1.00 0.00 O ATOM 568 CB LEU B 17 6.195 -5.597 -5.686 1.00 0.00 C ATOM 569 CG LEU B 17 7.613 -6.148 -5.627 1.00 0.00 C ATOM 570 CD1 LEU B 17 8.179 -6.263 -7.045 1.00 0.00 C ATOM 571 CD2 LEU B 17 8.492 -5.208 -4.799 1.00 0.00 C ATOM 0 H LEU B 17 3.719 -5.150 -5.335 1.00 0.00 H new ATOM 0 HA LEU B 17 5.379 -7.584 -5.535 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.911 -5.399 -6.720 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.138 -4.648 -5.152 1.00 0.00 H new ATOM 0 HG LEU B 17 7.599 -7.134 -5.163 1.00 0.00 H new ATOM 0 HD11 LEU B 17 9.194 -6.658 -7.001 1.00 0.00 H new ATOM 0 HD12 LEU B 17 7.554 -6.935 -7.633 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.193 -5.278 -7.512 1.00 0.00 H new ATOM 0 HD21 LEU B 17 9.507 -5.602 -4.757 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.505 -4.221 -5.261 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.091 -5.130 -3.789 1.00 0.00 H new ATOM 583 N VAL B 18 4.902 -5.908 -2.764 1.00 0.00 N ATOM 584 CA VAL B 18 5.140 -5.977 -1.295 1.00 0.00 C ATOM 585 C VAL B 18 5.127 -7.444 -0.857 1.00 0.00 C ATOM 586 O VAL B 18 6.009 -7.904 -0.163 1.00 0.00 O ATOM 587 CB VAL B 18 4.053 -5.172 -0.560 1.00 0.00 C ATOM 588 CG1 VAL B 18 2.898 -6.079 -0.118 1.00 0.00 C ATOM 589 CG2 VAL B 18 4.668 -4.503 0.670 1.00 0.00 C ATOM 0 H VAL B 18 4.240 -5.192 -3.064 1.00 0.00 H new ATOM 0 HA VAL B 18 6.110 -5.546 -1.048 1.00 0.00 H new ATOM 0 HB VAL B 18 3.658 -4.420 -1.243 1.00 0.00 H new ATOM 0 HG11 VAL B 18 2.145 -5.484 0.398 1.00 0.00 H new ATOM 0 HG12 VAL B 18 2.450 -6.551 -0.993 1.00 0.00 H new ATOM 0 HG13 VAL B 18 3.277 -6.848 0.555 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.902 -3.931 1.194 1.00 0.00 H new ATOM 0 HG22 VAL B 18 5.071 -5.266 1.336 1.00 0.00 H new ATOM 0 HG23 VAL B 18 5.470 -3.834 0.358 1.00 0.00 H new ATOM 599 N CYS B 19 4.131 -8.181 -1.268 1.00 0.00 N ATOM 600 CA CYS B 19 4.067 -9.620 -0.881 1.00 0.00 C ATOM 601 C CYS B 19 4.621 -10.480 -2.016 1.00 0.00 C ATOM 602 O CYS B 19 5.566 -11.223 -1.839 1.00 0.00 O ATOM 603 CB CYS B 19 2.617 -10.015 -0.602 1.00 0.00 C ATOM 604 SG CYS B 19 2.337 -10.050 1.184 1.00 0.00 S ATOM 0 H CYS B 19 3.362 -7.852 -1.852 1.00 0.00 H new ATOM 0 HA CYS B 19 4.663 -9.777 0.018 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.938 -9.305 -1.074 1.00 0.00 H new ATOM 0 HB3 CYS B 19 2.406 -10.993 -1.034 1.00 0.00 H new HETATM 609 N DAL B 20 4.044 -10.389 -3.182 1.00 0.00 N HETATM 610 CA DAL B 20 4.542 -11.206 -4.323 1.00 0.00 C HETATM 611 CB DAL B 20 4.251 -10.479 -5.636 1.00 0.00 C HETATM 612 C DAL B 20 3.839 -12.566 -4.326 1.00 0.00 C HETATM 613 O DAL B 20 3.624 -13.159 -5.365 1.00 0.00 O HETATM 0 HB3 DAL B 20 3.176 -10.329 -5.739 1.00 0.00 H new HETATM 0 HB2 DAL B 20 4.754 -9.512 -5.635 1.00 0.00 H new HETATM 0 HB1 DAL B 20 4.615 -11.077 -6.471 1.00 0.00 H new HETATM 0 HA DAL B 20 5.617 -11.354 -4.220 1.00 0.00 H new HETATM 0 H DAL B 20 3.591 -9.492 -3.357 1.00 0.00 H new ATOM 619 N GLU B 21 3.481 -13.071 -3.175 1.00 0.00 N ATOM 620 CA GLU B 21 2.798 -14.393 -3.124 1.00 0.00 C ATOM 621 C GLU B 21 1.855 -14.447 -1.921 1.00 0.00 C ATOM 622 O GLU B 21 2.033 -15.235 -1.014 1.00 0.00 O ATOM 623 CB GLU B 21 3.846 -15.500 -2.998 1.00 0.00 C ATOM 624 CG GLU B 21 3.272 -16.810 -3.541 1.00 0.00 C ATOM 625 CD GLU B 21 4.133 -17.303 -4.705 1.00 0.00 C ATOM 626 OE1 GLU B 21 4.132 -16.649 -5.735 1.00 0.00 O ATOM 627 OE2 GLU B 21 4.781 -18.325 -4.547 1.00 0.00 O ATOM 0 H GLU B 21 3.632 -12.625 -2.270 1.00 0.00 H new ATOM 0 HA GLU B 21 2.221 -14.534 -4.038 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.746 -15.228 -3.550 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.137 -15.623 -1.955 1.00 0.00 H new ATOM 0 HG2 GLU B 21 3.244 -17.562 -2.752 1.00 0.00 H new ATOM 0 HG3 GLU B 21 2.245 -16.659 -3.873 1.00 0.00 H new ATOM 634 N ARG B 22 0.846 -13.620 -1.908 1.00 0.00 N ATOM 635 CA ARG B 22 -0.114 -13.631 -0.769 1.00 0.00 C ATOM 636 C ARG B 22 -1.508 -13.275 -1.287 1.00 0.00 C ATOM 637 O ARG B 22 -2.380 -14.115 -1.379 1.00 0.00 O ATOM 638 CB ARG B 22 0.319 -12.606 0.283 1.00 0.00 C ATOM 639 CG ARG B 22 1.434 -13.198 1.147 1.00 0.00 C ATOM 640 CD ARG B 22 0.883 -14.366 1.967 1.00 0.00 C ATOM 641 NE ARG B 22 0.653 -13.923 3.371 1.00 0.00 N ATOM 642 CZ ARG B 22 1.232 -14.552 4.358 1.00 0.00 C ATOM 643 NH1 ARG B 22 2.520 -14.442 4.537 1.00 0.00 N ATOM 644 NH2 ARG B 22 0.522 -15.292 5.166 1.00 0.00 N ATOM 0 H ARG B 22 0.645 -12.936 -2.638 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.131 -14.622 -0.315 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.667 -11.695 -0.204 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -0.531 -12.329 0.907 1.00 0.00 H new ATOM 0 HG2 ARG B 22 2.255 -13.539 0.516 1.00 0.00 H new ATOM 0 HG3 ARG B 22 1.838 -12.434 1.810 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -0.049 -14.723 1.530 1.00 0.00 H new ATOM 0 HD3 ARG B 22 1.584 -15.200 1.948 1.00 0.00 H new ATOM 0 HE ARG B 22 0.043 -13.128 3.561 1.00 0.00 H new ATOM 0 HH11 ARG B 22 3.075 -13.864 3.906 1.00 0.00 H new ATOM 0 HH12 ARG B 22 2.972 -14.934 5.308 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -0.485 -15.379 5.026 1.00 0.00 H new ATOM 0 HH22 ARG B 22 0.974 -15.783 5.937 1.00 0.00 H new HETATM 658 N DAL B 23 -1.722 -12.037 -1.636 1.00 0.00 N HETATM 659 CA DAL B 23 -3.055 -11.631 -2.160 1.00 0.00 C HETATM 660 CB DAL B 23 -2.935 -11.319 -3.652 1.00 0.00 C HETATM 661 C DAL B 23 -3.542 -10.382 -1.422 1.00 0.00 C HETATM 662 O DAL B 23 -4.551 -10.403 -0.745 1.00 0.00 O HETATM 0 HB3 DAL B 23 -2.222 -10.507 -3.798 1.00 0.00 H new HETATM 0 HB2 DAL B 23 -2.588 -12.206 -4.182 1.00 0.00 H new HETATM 0 HB1 DAL B 23 -3.909 -11.021 -4.041 1.00 0.00 H new HETATM 0 HA DAL B 23 -3.767 -12.442 -2.006 1.00 0.00 H new ATOM 668 N PHE B 24 -2.836 -9.295 -1.554 1.00 0.00 N ATOM 669 CA PHE B 24 -3.258 -8.041 -0.870 1.00 0.00 C ATOM 670 C PHE B 24 -4.657 -7.650 -1.352 1.00 0.00 C ATOM 671 O PHE B 24 -5.330 -8.410 -2.022 1.00 0.00 O ATOM 672 CB PHE B 24 -2.267 -6.922 -1.214 1.00 0.00 C ATOM 673 CG PHE B 24 -2.517 -6.456 -2.628 1.00 0.00 C ATOM 674 CD1 PHE B 24 -1.863 -7.079 -3.701 1.00 0.00 C ATOM 675 CD2 PHE B 24 -3.419 -5.412 -2.868 1.00 0.00 C ATOM 676 CE1 PHE B 24 -2.111 -6.654 -5.013 1.00 0.00 C ATOM 677 CE2 PHE B 24 -3.670 -4.991 -4.178 1.00 0.00 C ATOM 678 CZ PHE B 24 -3.016 -5.609 -5.251 1.00 0.00 C ATOM 0 H PHE B 24 -1.983 -9.220 -2.107 1.00 0.00 H new ATOM 0 HA PHE B 24 -3.275 -8.196 0.209 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.383 -6.091 -0.518 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.243 -7.282 -1.113 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -1.169 -7.886 -3.516 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.921 -4.932 -2.041 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -1.606 -7.131 -5.840 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -4.369 -4.188 -4.362 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.208 -5.281 -6.262 1.00 0.00 H new ATOM 688 N PHE B 25 -5.097 -6.467 -1.025 1.00 0.00 N ATOM 689 CA PHE B 25 -6.444 -6.022 -1.473 1.00 0.00 C ATOM 690 C PHE B 25 -6.485 -4.493 -1.526 1.00 0.00 C ATOM 691 O PHE B 25 -6.369 -3.825 -0.517 1.00 0.00 O ATOM 692 CB PHE B 25 -7.499 -6.527 -0.494 1.00 0.00 C ATOM 693 CG PHE B 25 -7.149 -6.076 0.905 1.00 0.00 C ATOM 694 CD1 PHE B 25 -6.259 -6.829 1.681 1.00 0.00 C ATOM 695 CD2 PHE B 25 -7.717 -4.906 1.426 1.00 0.00 C ATOM 696 CE1 PHE B 25 -5.935 -6.410 2.979 1.00 0.00 C ATOM 697 CE2 PHE B 25 -7.394 -4.488 2.723 1.00 0.00 C ATOM 698 CZ PHE B 25 -6.502 -5.241 3.500 1.00 0.00 C ATOM 0 H PHE B 25 -4.580 -5.789 -0.466 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.648 -6.425 -2.465 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -8.481 -6.147 -0.774 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.555 -7.615 -0.533 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -5.823 -7.732 1.280 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.404 -4.326 0.827 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -5.248 -6.989 3.577 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -7.832 -3.586 3.125 1.00 0.00 H new ATOM 0 HZ PHE B 25 -6.252 -4.919 4.500 1.00 0.00 H new ATOM 708 N TYR B 26 -6.655 -3.932 -2.693 1.00 0.00 N ATOM 709 CA TYR B 26 -6.709 -2.447 -2.807 1.00 0.00 C ATOM 710 C TYR B 26 -7.932 -2.038 -3.627 1.00 0.00 C ATOM 711 O TYR B 26 -8.164 -2.540 -4.709 1.00 0.00 O ATOM 712 CB TYR B 26 -5.444 -1.937 -3.493 1.00 0.00 C ATOM 713 CG TYR B 26 -5.059 -0.601 -2.903 1.00 0.00 C ATOM 714 CD1 TYR B 26 -4.263 -0.546 -1.751 1.00 0.00 C ATOM 715 CD2 TYR B 26 -5.498 0.583 -3.508 1.00 0.00 C ATOM 716 CE1 TYR B 26 -3.907 0.694 -1.204 1.00 0.00 C ATOM 717 CE2 TYR B 26 -5.142 1.823 -2.961 1.00 0.00 C ATOM 718 CZ TYR B 26 -4.348 1.879 -1.810 1.00 0.00 C ATOM 719 OH TYR B 26 -3.996 3.101 -1.271 1.00 0.00 O ATOM 0 H TYR B 26 -6.759 -4.439 -3.572 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.780 -2.014 -1.809 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.632 -2.653 -3.362 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -5.613 -1.839 -4.565 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -3.924 -1.459 -1.285 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -6.111 0.541 -4.396 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -3.293 0.737 -0.316 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -5.481 2.736 -3.428 1.00 0.00 H new ATOM 0 HH TYR B 26 -3.050 3.086 -1.016 1.00 0.00 H new ATOM 729 N THR B 27 -8.718 -1.129 -3.117 1.00 0.00 N ATOM 730 CA THR B 27 -9.929 -0.686 -3.864 1.00 0.00 C ATOM 731 C THR B 27 -10.284 0.745 -3.455 1.00 0.00 C ATOM 732 O THR B 27 -10.294 1.081 -2.287 1.00 0.00 O ATOM 733 CB THR B 27 -11.096 -1.616 -3.536 1.00 0.00 C ATOM 734 OG1 THR B 27 -12.204 -1.295 -4.365 1.00 0.00 O ATOM 735 CG2 THR B 27 -11.485 -1.442 -2.070 1.00 0.00 C ATOM 0 H THR B 27 -8.574 -0.674 -2.215 1.00 0.00 H new ATOM 0 HA THR B 27 -9.729 -0.718 -4.935 1.00 0.00 H new ATOM 0 HB THR B 27 -10.801 -2.650 -3.713 1.00 0.00 H new ATOM 0 HG1 THR B 27 -12.952 -1.892 -4.156 1.00 0.00 H new ATOM 0 HG21 THR B 27 -12.318 -2.105 -1.833 1.00 0.00 H new ATOM 0 HG22 THR B 27 -10.633 -1.689 -1.436 1.00 0.00 H new ATOM 0 HG23 THR B 27 -11.782 -0.408 -1.893 1.00 0.00 H new ATOM 743 N LYS B 28 -10.573 1.592 -4.405 1.00 0.00 N ATOM 744 CA LYS B 28 -10.925 2.999 -4.063 1.00 0.00 C ATOM 745 C LYS B 28 -12.085 3.003 -3.060 1.00 0.00 C ATOM 746 O LYS B 28 -13.066 2.311 -3.253 1.00 0.00 O ATOM 747 CB LYS B 28 -11.349 3.739 -5.334 1.00 0.00 C ATOM 748 CG LYS B 28 -10.107 4.222 -6.085 1.00 0.00 C ATOM 749 CD LYS B 28 -10.160 5.743 -6.236 1.00 0.00 C ATOM 750 CE LYS B 28 -9.896 6.120 -7.695 1.00 0.00 C ATOM 751 NZ LYS B 28 -11.163 6.586 -8.326 1.00 0.00 N ATOM 0 H LYS B 28 -10.581 1.371 -5.401 1.00 0.00 H new ATOM 0 HA LYS B 28 -10.060 3.496 -3.623 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -11.938 3.080 -5.971 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -11.984 4.587 -5.078 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -9.206 3.931 -5.544 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -10.056 3.750 -7.066 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -11.135 6.116 -5.923 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -9.418 6.210 -5.589 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -9.141 6.905 -7.748 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -9.502 5.261 -8.238 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -10.983 6.842 -9.318 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -11.870 5.825 -8.288 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -11.521 7.417 -7.813 1.00 0.00 H new ATOM 765 N PRO B 29 -11.943 3.780 -2.014 1.00 0.00 N ATOM 766 CA PRO B 29 -12.969 3.887 -0.962 1.00 0.00 C ATOM 767 C PRO B 29 -14.109 4.798 -1.422 1.00 0.00 C ATOM 768 O PRO B 29 -15.252 4.617 -1.053 1.00 0.00 O ATOM 769 CB PRO B 29 -12.215 4.510 0.215 1.00 0.00 C ATOM 770 CG PRO B 29 -10.988 5.237 -0.388 1.00 0.00 C ATOM 771 CD PRO B 29 -10.748 4.617 -1.778 1.00 0.00 C ATOM 0 HA PRO B 29 -13.426 2.930 -0.709 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -12.852 5.208 0.758 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -11.903 3.744 0.925 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -11.173 6.308 -0.468 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -10.112 5.112 0.249 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -10.643 5.385 -2.544 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -9.835 4.022 -1.796 1.00 0.00 H new ATOM 779 N THR B 30 -13.800 5.774 -2.221 1.00 0.00 N ATOM 780 CA THR B 30 -14.854 6.704 -2.709 1.00 0.00 C ATOM 781 C THR B 30 -14.746 6.845 -4.230 1.00 0.00 C ATOM 782 O THR B 30 -14.315 5.897 -4.864 1.00 0.00 O ATOM 783 CB THR B 30 -14.662 8.074 -2.055 1.00 0.00 C ATOM 784 OG1 THR B 30 -13.464 8.066 -1.292 1.00 0.00 O ATOM 785 CG2 THR B 30 -15.849 8.374 -1.141 1.00 0.00 C ATOM 786 OXT THR B 30 -15.098 7.901 -4.732 1.00 0.00 O ATOM 0 H THR B 30 -12.858 5.971 -2.560 1.00 0.00 H new ATOM 0 HA THR B 30 -15.837 6.310 -2.450 1.00 0.00 H new ATOM 0 HB THR B 30 -14.598 8.842 -2.826 1.00 0.00 H new ATOM 0 HG1 THR B 30 -13.337 8.943 -0.873 1.00 0.00 H new ATOM 0 HG21 THR B 30 -15.712 9.350 -0.675 1.00 0.00 H new ATOM 0 HG22 THR B 30 -16.768 8.377 -1.727 1.00 0.00 H new ATOM 0 HG23 THR B 30 -15.915 7.609 -0.367 1.00 0.00 H new TER 794 THR B 30