USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 380 hydrogens (5 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 8 DAL H2 : B 8 DAL N : B 7 CYS C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 17:sc= 0.00133 USER MOD Single : A 12 SER OG : rot 180:sc= 0.00851 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.757 X(o=-0.76,f=-0.76) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -2.08! USER MOD Single : A 21 ASN : amide:sc= -2.17! K(o=-2.2!,f=-0.72) USER MOD Single : B 1 PHE N :NH3+ -132:sc= 0.0775 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.148! C(o=-0.15!,f=-7.9!) USER MOD Single : B 4 GLN : amide:sc= -7.14! C(o=-7.1!,f=-8!) USER MOD Single : B 5 HIS : no HE2:sc= -2.65! C(o=-2.6!,f=-5.7!) USER MOD Single : B 9 SER OG : rot -49:sc= 0.531 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= -0.0436 USER MOD Single : B 28 LYS NZ :NH3+ 152:sc= -0.0593 (180deg=-0.419) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.926 5.561 2.331 1.00 0.00 N ATOM 2 CA GLY A 1 -8.209 6.270 1.184 1.00 0.00 C ATOM 3 C GLY A 1 -6.765 5.988 0.934 1.00 0.00 C ATOM 4 O GLY A 1 -6.013 6.858 0.542 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.918 5.870 2.364 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.888 4.533 2.181 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.460 5.797 3.230 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.751 6.038 0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.308 7.343 1.350 1.00 0.00 H new ATOM 10 N ILE A 2 -6.339 4.772 1.152 1.00 0.00 N ATOM 11 CA ILE A 2 -4.906 4.431 0.919 1.00 0.00 C ATOM 12 C ILE A 2 -4.471 4.958 -0.447 1.00 0.00 C ATOM 13 O ILE A 2 -3.443 5.589 -0.581 1.00 0.00 O ATOM 14 CB ILE A 2 -4.730 2.915 0.947 1.00 0.00 C ATOM 15 CG1 ILE A 2 -3.282 2.569 0.574 1.00 0.00 C ATOM 16 CG2 ILE A 2 -5.685 2.282 -0.063 1.00 0.00 C ATOM 17 CD1 ILE A 2 -3.175 1.081 0.236 1.00 0.00 C ATOM 0 H ILE A 2 -6.921 4.001 1.481 1.00 0.00 H new ATOM 0 HA ILE A 2 -4.297 4.886 1.700 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.949 2.533 1.944 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.963 3.169 -0.279 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.616 2.812 1.402 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.565 1.199 -0.048 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.712 2.536 0.198 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.461 2.658 -1.061 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.145 0.841 -0.028 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -3.475 0.489 1.101 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.828 0.851 -0.606 1.00 0.00 H new ATOM 29 N VAL A 3 -5.243 4.696 -1.465 1.00 0.00 N ATOM 30 CA VAL A 3 -4.869 5.174 -2.821 1.00 0.00 C ATOM 31 C VAL A 3 -4.796 6.700 -2.822 1.00 0.00 C ATOM 32 O VAL A 3 -3.996 7.293 -3.518 1.00 0.00 O ATOM 33 CB VAL A 3 -5.924 4.710 -3.830 1.00 0.00 C ATOM 34 CG1 VAL A 3 -5.673 5.382 -5.182 1.00 0.00 C ATOM 35 CG2 VAL A 3 -5.838 3.191 -3.994 1.00 0.00 C ATOM 0 H VAL A 3 -6.116 4.171 -1.414 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.897 4.766 -3.097 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.915 4.983 -3.468 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.425 5.050 -5.898 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.734 6.464 -5.067 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.682 5.111 -5.545 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.588 2.859 -4.712 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.846 2.920 -4.355 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.019 2.710 -3.032 1.00 0.00 H new ATOM 45 N GLU A 4 -5.626 7.342 -2.046 1.00 0.00 N ATOM 46 CA GLU A 4 -5.605 8.828 -2.005 1.00 0.00 C ATOM 47 C GLU A 4 -4.272 9.317 -1.432 1.00 0.00 C ATOM 48 O GLU A 4 -3.798 10.377 -1.772 1.00 0.00 O ATOM 49 CB GLU A 4 -6.751 9.331 -1.123 1.00 0.00 C ATOM 50 CG GLU A 4 -7.811 9.997 -2.001 1.00 0.00 C ATOM 51 CD GLU A 4 -8.358 8.977 -3.001 1.00 0.00 C ATOM 52 OE1 GLU A 4 -8.462 7.816 -2.638 1.00 0.00 O ATOM 53 OE2 GLU A 4 -8.660 9.373 -4.114 1.00 0.00 O ATOM 0 H GLU A 4 -6.317 6.900 -1.439 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.724 9.214 -3.018 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.190 8.501 -0.569 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.374 10.041 -0.387 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.620 10.385 -1.382 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.379 10.846 -2.531 1.00 0.00 H new ATOM 60 N GLN A 5 -3.661 8.557 -0.567 1.00 0.00 N ATOM 61 CA GLN A 5 -2.359 9.002 0.015 1.00 0.00 C ATOM 62 C GLN A 5 -1.211 8.582 -0.903 1.00 0.00 C ATOM 63 O GLN A 5 -0.204 9.255 -0.999 1.00 0.00 O ATOM 64 CB GLN A 5 -2.172 8.367 1.397 1.00 0.00 C ATOM 65 CG GLN A 5 -2.890 9.215 2.450 1.00 0.00 C ATOM 66 CD GLN A 5 -1.911 10.228 3.048 1.00 0.00 C ATOM 67 OE1 GLN A 5 -1.299 10.995 2.330 1.00 0.00 O ATOM 68 NE2 GLN A 5 -1.736 10.265 4.340 1.00 0.00 N ATOM 0 H GLN A 5 -4.001 7.653 -0.238 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.361 10.088 0.112 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.569 7.352 1.399 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.111 8.294 1.635 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.736 9.734 1.999 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.291 8.575 3.235 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.249 9.622 4.943 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.086 10.937 4.748 1.00 0.00 H new ATOM 77 N CYS A 6 -1.350 7.476 -1.582 1.00 0.00 N ATOM 78 CA CYS A 6 -0.263 7.023 -2.494 1.00 0.00 C ATOM 79 C CYS A 6 -0.505 7.594 -3.889 1.00 0.00 C ATOM 80 O CYS A 6 0.398 8.077 -4.541 1.00 0.00 O ATOM 81 CB CYS A 6 -0.242 5.488 -2.581 1.00 0.00 C ATOM 82 SG CYS A 6 -0.871 4.764 -1.043 1.00 0.00 S ATOM 0 H CYS A 6 -2.168 6.868 -1.544 1.00 0.00 H new ATOM 0 HA CYS A 6 0.692 7.373 -2.103 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.850 5.156 -3.423 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.775 5.141 -2.765 1.00 0.00 H new ATOM 87 N CYS A 7 -1.722 7.533 -4.354 1.00 0.00 N ATOM 88 CA CYS A 7 -2.026 8.060 -5.711 1.00 0.00 C ATOM 89 C CYS A 7 -2.260 9.575 -5.646 1.00 0.00 C ATOM 90 O CYS A 7 -3.225 10.084 -6.177 1.00 0.00 O ATOM 91 CB CYS A 7 -3.276 7.363 -6.254 1.00 0.00 C ATOM 92 SG CYS A 7 -3.676 8.017 -7.895 1.00 0.00 S ATOM 0 H CYS A 7 -2.518 7.141 -3.852 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.183 7.864 -6.373 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.108 6.288 -6.312 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.115 7.519 -5.576 1.00 0.00 H new ATOM 97 N THR A 8 -1.380 10.304 -5.011 1.00 0.00 N ATOM 98 CA THR A 8 -1.563 11.784 -4.936 1.00 0.00 C ATOM 99 C THR A 8 -0.455 12.409 -4.077 1.00 0.00 C ATOM 100 O THR A 8 -0.092 13.552 -4.259 1.00 0.00 O ATOM 101 CB THR A 8 -2.954 12.103 -4.348 1.00 0.00 C ATOM 102 OG1 THR A 8 -3.525 13.186 -5.067 1.00 0.00 O ATOM 103 CG2 THR A 8 -2.856 12.483 -2.863 1.00 0.00 C ATOM 0 H THR A 8 -0.548 9.942 -4.544 1.00 0.00 H new ATOM 0 HA THR A 8 -1.499 12.209 -5.938 1.00 0.00 H new ATOM 0 HB THR A 8 -3.577 11.213 -4.436 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.410 13.392 -4.699 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.852 12.702 -2.477 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.424 11.654 -2.303 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.223 13.363 -2.754 1.00 0.00 H new ATOM 111 N SER A 9 0.072 11.679 -3.132 1.00 0.00 N ATOM 112 CA SER A 9 1.131 12.258 -2.261 1.00 0.00 C ATOM 113 C SER A 9 2.277 11.259 -2.078 1.00 0.00 C ATOM 114 O SER A 9 3.143 11.137 -2.918 1.00 0.00 O ATOM 115 CB SER A 9 0.522 12.599 -0.902 1.00 0.00 C ATOM 116 OG SER A 9 -0.166 13.838 -0.994 1.00 0.00 O ATOM 0 H SER A 9 -0.184 10.713 -2.927 1.00 0.00 H new ATOM 0 HA SER A 9 1.529 13.159 -2.728 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.164 11.811 -0.590 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.304 12.659 -0.145 1.00 0.00 H new ATOM 0 HG SER A 9 -0.326 14.054 -1.936 1.00 0.00 H new ATOM 122 N ILE A 10 2.307 10.554 -0.980 1.00 0.00 N ATOM 123 CA ILE A 10 3.416 9.589 -0.758 1.00 0.00 C ATOM 124 C ILE A 10 2.908 8.377 0.021 1.00 0.00 C ATOM 125 O ILE A 10 2.004 8.476 0.830 1.00 0.00 O ATOM 126 CB ILE A 10 4.523 10.276 0.042 1.00 0.00 C ATOM 127 CG1 ILE A 10 5.158 11.371 -0.814 1.00 0.00 C ATOM 128 CG2 ILE A 10 5.588 9.254 0.434 1.00 0.00 C ATOM 129 CD1 ILE A 10 5.895 10.732 -1.990 1.00 0.00 C ATOM 0 H ILE A 10 1.615 10.605 -0.232 1.00 0.00 H new ATOM 0 HA ILE A 10 3.802 9.256 -1.721 1.00 0.00 H new ATOM 0 HB ILE A 10 4.098 10.715 0.945 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.391 12.054 -1.179 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.850 11.961 -0.214 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.375 9.749 1.004 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.135 8.472 1.044 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.016 8.811 -0.465 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.349 11.512 -2.602 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.673 10.067 -1.614 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.190 10.161 -2.594 1.00 0.00 H new ATOM 141 N CYS A 11 3.486 7.232 -0.212 1.00 0.00 N ATOM 142 CA CYS A 11 3.050 6.009 0.513 1.00 0.00 C ATOM 143 C CYS A 11 4.268 5.123 0.779 1.00 0.00 C ATOM 144 O CYS A 11 4.971 4.730 -0.130 1.00 0.00 O ATOM 145 CB CYS A 11 2.034 5.247 -0.338 1.00 0.00 C ATOM 146 SG CYS A 11 0.386 5.448 0.382 1.00 0.00 S ATOM 0 H CYS A 11 4.246 7.091 -0.878 1.00 0.00 H new ATOM 0 HA CYS A 11 2.588 6.287 1.460 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.045 5.622 -1.362 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.298 4.190 -0.382 1.00 0.00 H new ATOM 151 N SER A 12 4.525 4.808 2.019 1.00 0.00 N ATOM 152 CA SER A 12 5.702 3.951 2.337 1.00 0.00 C ATOM 153 C SER A 12 5.358 2.491 2.058 1.00 0.00 C ATOM 154 O SER A 12 4.277 2.027 2.356 1.00 0.00 O ATOM 155 CB SER A 12 6.072 4.117 3.811 1.00 0.00 C ATOM 156 OG SER A 12 6.506 2.865 4.331 1.00 0.00 O ATOM 0 H SER A 12 3.973 5.106 2.823 1.00 0.00 H new ATOM 0 HA SER A 12 6.547 4.250 1.716 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.861 4.861 3.918 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.213 4.480 4.375 1.00 0.00 H new ATOM 0 HG SER A 12 6.745 2.968 5.276 1.00 0.00 H new ATOM 162 N LEU A 13 6.272 1.767 1.479 1.00 0.00 N ATOM 163 CA LEU A 13 6.001 0.339 1.172 1.00 0.00 C ATOM 164 C LEU A 13 5.489 -0.364 2.432 1.00 0.00 C ATOM 165 O LEU A 13 4.592 -1.182 2.377 1.00 0.00 O ATOM 166 CB LEU A 13 7.288 -0.335 0.694 1.00 0.00 C ATOM 167 CG LEU A 13 6.962 -1.309 -0.439 1.00 0.00 C ATOM 168 CD1 LEU A 13 6.708 -0.527 -1.728 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.143 -2.262 -0.646 1.00 0.00 C ATOM 0 H LEU A 13 7.195 2.103 1.205 1.00 0.00 H new ATOM 0 HA LEU A 13 5.247 0.272 0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.998 0.416 0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.762 -0.866 1.520 1.00 0.00 H new ATOM 0 HG LEU A 13 6.071 -1.882 -0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.476 -1.222 -2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.869 0.153 -1.582 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.598 0.046 -1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.912 -2.957 -1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.033 -1.688 -0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.325 -2.820 0.272 1.00 0.00 H new ATOM 181 N TYR A 14 6.051 -0.052 3.567 1.00 0.00 N ATOM 182 CA TYR A 14 5.599 -0.700 4.828 1.00 0.00 C ATOM 183 C TYR A 14 4.070 -0.684 4.896 1.00 0.00 C ATOM 184 O TYR A 14 3.434 -1.713 4.992 1.00 0.00 O ATOM 185 CB TYR A 14 6.170 0.063 6.026 1.00 0.00 C ATOM 186 CG TYR A 14 6.412 -0.895 7.167 1.00 0.00 C ATOM 187 CD1 TYR A 14 5.337 -1.350 7.942 1.00 0.00 C ATOM 188 CD2 TYR A 14 7.714 -1.333 7.449 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.563 -2.240 8.999 1.00 0.00 C ATOM 190 CE2 TYR A 14 7.940 -2.224 8.508 1.00 0.00 C ATOM 191 CZ TYR A 14 6.865 -2.678 9.281 1.00 0.00 C ATOM 192 OH TYR A 14 7.086 -3.557 10.322 1.00 0.00 O ATOM 0 H TYR A 14 6.806 0.626 3.675 1.00 0.00 H new ATOM 0 HA TYR A 14 5.951 -1.731 4.850 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.102 0.554 5.746 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.477 0.846 6.335 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.334 -1.014 7.724 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.543 -0.984 6.851 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.734 -2.589 9.597 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.943 -2.560 8.727 1.00 0.00 H new ATOM 0 HH TYR A 14 8.043 -3.760 10.381 1.00 0.00 H new ATOM 202 N GLN A 15 3.476 0.478 4.845 1.00 0.00 N ATOM 203 CA GLN A 15 1.975 0.541 4.907 1.00 0.00 C ATOM 204 C GLN A 15 1.396 -0.265 3.743 1.00 0.00 C ATOM 205 O GLN A 15 0.368 -0.900 3.866 1.00 0.00 O ATOM 206 CB GLN A 15 1.459 1.994 4.812 1.00 0.00 C ATOM 207 CG GLN A 15 1.825 2.784 6.078 1.00 0.00 C ATOM 208 CD GLN A 15 1.667 1.898 7.317 1.00 0.00 C ATOM 209 OE1 GLN A 15 0.562 1.622 7.742 1.00 0.00 O ATOM 210 NE2 GLN A 15 2.731 1.440 7.918 1.00 0.00 N ATOM 0 H GLN A 15 3.951 1.377 4.764 1.00 0.00 H new ATOM 0 HA GLN A 15 1.658 0.129 5.865 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.888 2.481 3.937 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.377 1.993 4.678 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.852 3.144 6.007 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.185 3.662 6.166 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.658 1.672 7.561 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.636 0.850 8.745 1.00 0.00 H new ATOM 219 N LEU A 16 2.048 -0.240 2.612 1.00 0.00 N ATOM 220 CA LEU A 16 1.540 -0.996 1.437 1.00 0.00 C ATOM 221 C LEU A 16 1.689 -2.500 1.674 1.00 0.00 C ATOM 222 O LEU A 16 0.821 -3.277 1.331 1.00 0.00 O ATOM 223 CB LEU A 16 2.338 -0.593 0.201 1.00 0.00 C ATOM 224 CG LEU A 16 1.420 0.140 -0.775 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.638 1.224 -0.027 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.261 0.786 -1.879 1.00 0.00 C ATOM 0 H LEU A 16 2.914 0.275 2.453 1.00 0.00 H new ATOM 0 HA LEU A 16 0.485 -0.765 1.289 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.172 0.049 0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.763 -1.476 -0.275 1.00 0.00 H new ATOM 0 HG LEU A 16 0.721 -0.569 -1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.017 1.747 -0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.039 0.764 0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.335 1.934 0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.606 1.309 -2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.960 1.495 -1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.816 0.014 -2.412 1.00 0.00 H new ATOM 238 N GLU A 17 2.778 -2.924 2.255 1.00 0.00 N ATOM 239 CA GLU A 17 2.960 -4.383 2.498 1.00 0.00 C ATOM 240 C GLU A 17 1.948 -4.847 3.544 1.00 0.00 C ATOM 241 O GLU A 17 1.714 -6.025 3.720 1.00 0.00 O ATOM 242 CB GLU A 17 4.382 -4.657 3.000 1.00 0.00 C ATOM 243 CG GLU A 17 5.353 -3.657 2.367 1.00 0.00 C ATOM 244 CD GLU A 17 6.635 -4.381 1.954 1.00 0.00 C ATOM 245 OE1 GLU A 17 6.562 -5.568 1.686 1.00 0.00 O ATOM 246 OE2 GLU A 17 7.670 -3.735 1.914 1.00 0.00 O ATOM 0 H GLU A 17 3.544 -2.329 2.570 1.00 0.00 H new ATOM 0 HA GLU A 17 2.803 -4.927 1.567 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.417 -4.575 4.086 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.677 -5.675 2.748 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.892 -3.187 1.498 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.584 -2.861 3.075 1.00 0.00 H new ATOM 253 N ASN A 18 1.335 -3.924 4.236 1.00 0.00 N ATOM 254 CA ASN A 18 0.330 -4.310 5.261 1.00 0.00 C ATOM 255 C ASN A 18 -0.978 -4.693 4.564 1.00 0.00 C ATOM 256 O ASN A 18 -1.906 -5.174 5.182 1.00 0.00 O ATOM 257 CB ASN A 18 0.077 -3.128 6.202 1.00 0.00 C ATOM 258 CG ASN A 18 0.770 -3.383 7.543 1.00 0.00 C ATOM 259 OD1 ASN A 18 1.980 -3.484 7.604 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.049 -3.494 8.625 1.00 0.00 N ATOM 0 H ASN A 18 1.489 -2.921 4.134 1.00 0.00 H new ATOM 0 HA ASN A 18 0.703 -5.157 5.837 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.453 -2.208 5.756 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.994 -2.994 6.354 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.501 -3.666 9.523 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.966 -3.409 8.572 1.00 0.00 H new ATOM 267 N TYR A 19 -1.056 -4.484 3.275 1.00 0.00 N ATOM 268 CA TYR A 19 -2.301 -4.836 2.538 1.00 0.00 C ATOM 269 C TYR A 19 -2.206 -6.280 2.041 1.00 0.00 C ATOM 270 O TYR A 19 -3.185 -6.869 1.629 1.00 0.00 O ATOM 271 CB TYR A 19 -2.470 -3.892 1.346 1.00 0.00 C ATOM 272 CG TYR A 19 -3.202 -2.648 1.788 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.516 -1.636 2.471 1.00 0.00 C ATOM 274 CD2 TYR A 19 -4.569 -2.507 1.516 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.196 -0.484 2.883 1.00 0.00 C ATOM 276 CE2 TYR A 19 -5.250 -1.353 1.928 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.565 -0.344 2.613 1.00 0.00 C ATOM 278 OH TYR A 19 -5.235 0.789 3.023 1.00 0.00 O ATOM 0 H TYR A 19 -0.311 -4.085 2.704 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.160 -4.738 3.202 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.495 -3.627 0.937 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.024 -4.390 0.550 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.462 -1.744 2.680 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.098 -3.287 0.989 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.667 0.297 3.409 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.303 -1.243 1.717 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.176 0.727 2.756 1.00 0.00 H new ATOM 288 N CYS A 20 -1.035 -6.854 2.077 1.00 0.00 N ATOM 289 CA CYS A 20 -0.881 -8.261 1.606 1.00 0.00 C ATOM 290 C CYS A 20 -2.029 -9.110 2.156 1.00 0.00 C ATOM 291 O CYS A 20 -2.615 -8.795 3.174 1.00 0.00 O ATOM 292 CB CYS A 20 0.451 -8.825 2.109 1.00 0.00 C ATOM 293 SG CYS A 20 1.540 -9.150 0.702 1.00 0.00 S ATOM 0 H CYS A 20 -0.179 -6.411 2.411 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.899 -8.283 0.516 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.923 -8.118 2.792 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.280 -9.744 2.670 1.00 0.00 H new ATOM 298 N ASN A 21 -2.357 -10.186 1.495 1.00 0.00 N ATOM 299 CA ASN A 21 -3.466 -11.055 1.984 1.00 0.00 C ATOM 300 C ASN A 21 -3.153 -11.523 3.406 1.00 0.00 C ATOM 301 O ASN A 21 -1.985 -11.543 3.758 1.00 0.00 O ATOM 302 CB ASN A 21 -3.608 -12.270 1.061 1.00 0.00 C ATOM 303 CG ASN A 21 -4.503 -13.318 1.728 1.00 0.00 C ATOM 304 OD1 ASN A 21 -5.661 -13.450 1.388 1.00 0.00 O ATOM 305 ND2 ASN A 21 -4.008 -14.075 2.671 1.00 0.00 N ATOM 306 OXT ASN A 21 -4.086 -11.856 4.117 1.00 0.00 O ATOM 0 H ASN A 21 -1.905 -10.502 0.637 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.399 -10.492 1.984 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.036 -11.966 0.106 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.627 -12.696 0.850 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.595 -14.777 3.122 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.035 -13.964 2.956 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 12.834 1.656 0.481 1.00 0.00 N ATOM 315 CA PHE B 1 11.860 2.417 -0.351 1.00 0.00 C ATOM 316 C PHE B 1 12.063 3.917 -0.131 1.00 0.00 C ATOM 317 O PHE B 1 12.940 4.336 0.599 1.00 0.00 O ATOM 318 CB PHE B 1 10.435 2.030 0.049 1.00 0.00 C ATOM 319 CG PHE B 1 9.559 2.012 -1.181 1.00 0.00 C ATOM 320 CD1 PHE B 1 9.950 1.279 -2.309 1.00 0.00 C ATOM 321 CD2 PHE B 1 8.351 2.725 -1.193 1.00 0.00 C ATOM 322 CE1 PHE B 1 9.136 1.260 -3.450 1.00 0.00 C ATOM 323 CE2 PHE B 1 7.538 2.707 -2.333 1.00 0.00 C ATOM 324 CZ PHE B 1 7.929 1.976 -3.462 1.00 0.00 C ATOM 0 H1 PHE B 1 13.297 0.930 -0.103 1.00 0.00 H new ATOM 0 H2 PHE B 1 13.552 2.307 0.858 1.00 0.00 H new ATOM 0 H3 PHE B 1 12.334 1.199 1.270 1.00 0.00 H new ATOM 0 HA PHE B 1 12.018 2.180 -1.403 1.00 0.00 H new ATOM 0 HB2 PHE B 1 10.432 1.050 0.526 1.00 0.00 H new ATOM 0 HB3 PHE B 1 10.044 2.740 0.778 1.00 0.00 H new ATOM 0 HD1 PHE B 1 10.879 0.728 -2.299 1.00 0.00 H new ATOM 0 HD2 PHE B 1 8.048 3.288 -0.323 1.00 0.00 H new ATOM 0 HE1 PHE B 1 9.438 0.695 -4.319 1.00 0.00 H new ATOM 0 HE2 PHE B 1 6.609 3.257 -2.342 1.00 0.00 H new ATOM 0 HZ PHE B 1 7.302 1.963 -4.341 1.00 0.00 H new ATOM 336 N VAL B 2 11.260 4.732 -0.759 1.00 0.00 N ATOM 337 CA VAL B 2 11.405 6.201 -0.592 1.00 0.00 C ATOM 338 C VAL B 2 10.073 6.874 -0.945 1.00 0.00 C ATOM 339 O VAL B 2 9.183 6.257 -1.496 1.00 0.00 O ATOM 340 CB VAL B 2 12.518 6.699 -1.522 1.00 0.00 C ATOM 341 CG1 VAL B 2 12.457 5.942 -2.850 1.00 0.00 C ATOM 342 CG2 VAL B 2 12.345 8.192 -1.789 1.00 0.00 C ATOM 0 H VAL B 2 10.508 4.440 -1.383 1.00 0.00 H new ATOM 0 HA VAL B 2 11.666 6.445 0.438 1.00 0.00 H new ATOM 0 HB VAL B 2 13.482 6.525 -1.043 1.00 0.00 H new ATOM 0 HG11 VAL B 2 13.249 6.298 -3.509 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.589 4.876 -2.667 1.00 0.00 H new ATOM 0 HG13 VAL B 2 11.489 6.112 -3.322 1.00 0.00 H new ATOM 0 HG21 VAL B 2 13.139 8.538 -2.450 1.00 0.00 H new ATOM 0 HG22 VAL B 2 11.378 8.368 -2.261 1.00 0.00 H new ATOM 0 HG23 VAL B 2 12.394 8.738 -0.847 1.00 0.00 H new ATOM 352 N ASN B 3 9.933 8.135 -0.633 1.00 0.00 N ATOM 353 CA ASN B 3 8.665 8.849 -0.953 1.00 0.00 C ATOM 354 C ASN B 3 8.200 8.455 -2.358 1.00 0.00 C ATOM 355 O ASN B 3 8.905 8.646 -3.330 1.00 0.00 O ATOM 356 CB ASN B 3 8.902 10.361 -0.894 1.00 0.00 C ATOM 357 CG ASN B 3 9.630 10.714 0.403 1.00 0.00 C ATOM 358 OD1 ASN B 3 10.056 9.842 1.133 1.00 0.00 O ATOM 359 ND2 ASN B 3 9.791 11.970 0.725 1.00 0.00 N ATOM 0 H ASN B 3 10.644 8.701 -0.170 1.00 0.00 H new ATOM 0 HA ASN B 3 7.898 8.575 -0.228 1.00 0.00 H new ATOM 0 HB2 ASN B 3 9.492 10.681 -1.753 1.00 0.00 H new ATOM 0 HB3 ASN B 3 7.951 10.891 -0.945 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.274 12.217 1.589 1.00 0.00 H new ATOM 0 HD22 ASN B 3 9.434 12.703 0.113 1.00 0.00 H new ATOM 366 N GLN B 4 7.029 7.890 -2.471 1.00 0.00 N ATOM 367 CA GLN B 4 6.532 7.469 -3.810 1.00 0.00 C ATOM 368 C GLN B 4 5.009 7.562 -3.885 1.00 0.00 C ATOM 369 O GLN B 4 4.302 7.202 -2.963 1.00 0.00 O ATOM 370 CB GLN B 4 6.935 6.015 -4.062 1.00 0.00 C ATOM 371 CG GLN B 4 7.757 5.916 -5.348 1.00 0.00 C ATOM 372 CD GLN B 4 8.924 6.903 -5.287 1.00 0.00 C ATOM 373 OE1 GLN B 4 8.796 8.040 -5.692 1.00 0.00 O ATOM 374 NE2 GLN B 4 10.067 6.512 -4.792 1.00 0.00 N ATOM 0 H GLN B 4 6.396 7.702 -1.694 1.00 0.00 H new ATOM 0 HA GLN B 4 6.968 8.131 -4.558 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.515 5.639 -3.220 1.00 0.00 H new ATOM 0 HB3 GLN B 4 6.045 5.391 -4.140 1.00 0.00 H new ATOM 0 HG2 GLN B 4 8.132 4.901 -5.475 1.00 0.00 H new ATOM 0 HG3 GLN B 4 7.128 6.133 -6.211 1.00 0.00 H new ATOM 0 HE21 GLN B 4 10.175 5.557 -4.451 1.00 0.00 H new ATOM 0 HE22 GLN B 4 10.852 7.162 -4.746 1.00 0.00 H new ATOM 383 N HIS B 5 4.501 7.987 -5.009 1.00 0.00 N ATOM 384 CA HIS B 5 3.032 8.045 -5.198 1.00 0.00 C ATOM 385 C HIS B 5 2.664 6.915 -6.146 1.00 0.00 C ATOM 386 O HIS B 5 3.312 6.699 -7.153 1.00 0.00 O ATOM 387 CB HIS B 5 2.579 9.393 -5.782 1.00 0.00 C ATOM 388 CG HIS B 5 3.743 10.335 -5.937 1.00 0.00 C ATOM 389 ND1 HIS B 5 3.815 11.495 -5.198 1.00 0.00 N ATOM 390 CD2 HIS B 5 4.850 10.294 -6.742 1.00 0.00 C ATOM 391 CE1 HIS B 5 4.939 12.117 -5.562 1.00 0.00 C ATOM 392 NE2 HIS B 5 5.610 11.422 -6.506 1.00 0.00 N ATOM 0 H HIS B 5 5.050 8.299 -5.810 1.00 0.00 H new ATOM 0 HA HIS B 5 2.532 7.941 -4.235 1.00 0.00 H new ATOM 0 HB2 HIS B 5 2.106 9.233 -6.751 1.00 0.00 H new ATOM 0 HB3 HIS B 5 1.829 9.841 -5.131 1.00 0.00 H new ATOM 0 HD1 HIS B 5 3.139 11.817 -4.505 1.00 0.00 H new ATOM 0 HD2 HIS B 5 5.089 9.509 -7.445 1.00 0.00 H new ATOM 0 HE1 HIS B 5 5.271 13.060 -5.152 1.00 0.00 H new ATOM 400 N LEU B 6 1.648 6.180 -5.829 1.00 0.00 N ATOM 401 CA LEU B 6 1.259 5.048 -6.707 1.00 0.00 C ATOM 402 C LEU B 6 -0.169 5.300 -7.207 1.00 0.00 C ATOM 403 O LEU B 6 -1.070 5.535 -6.430 1.00 0.00 O ATOM 404 CB LEU B 6 1.312 3.745 -5.894 1.00 0.00 C ATOM 405 CG LEU B 6 2.764 3.235 -5.727 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.246 2.532 -6.992 1.00 0.00 C ATOM 407 CD2 LEU B 6 3.717 4.390 -5.438 1.00 0.00 C ATOM 0 H LEU B 6 1.067 6.311 -5.001 1.00 0.00 H new ATOM 0 HA LEU B 6 1.937 4.964 -7.556 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.869 3.910 -4.912 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.713 2.982 -6.390 1.00 0.00 H new ATOM 0 HG LEU B 6 2.761 2.535 -4.891 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.269 2.184 -6.847 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.599 1.681 -7.204 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.215 3.229 -7.830 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.731 4.006 -5.325 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.688 5.101 -6.264 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.414 4.890 -4.518 1.00 0.00 H new ATOM 419 N CYS B 7 -0.381 5.287 -8.494 1.00 0.00 N ATOM 420 CA CYS B 7 -1.748 5.553 -9.028 1.00 0.00 C ATOM 421 C CYS B 7 -2.226 4.387 -9.904 1.00 0.00 C ATOM 422 O CYS B 7 -1.614 4.051 -10.899 1.00 0.00 O ATOM 423 CB CYS B 7 -1.721 6.831 -9.867 1.00 0.00 C ATOM 424 SG CYS B 7 -1.882 8.270 -8.780 1.00 0.00 S ATOM 0 H CYS B 7 0.333 5.104 -9.199 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.434 5.666 -8.189 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -0.789 6.890 -10.430 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -2.533 6.819 -10.594 1.00 0.00 H new HETATM 429 N DAL B 8 -3.332 3.789 -9.541 1.00 0.00 N HETATM 430 CA DAL B 8 -3.895 2.654 -10.343 1.00 0.00 C HETATM 431 CB DAL B 8 -4.792 1.804 -9.442 1.00 0.00 C HETATM 432 C DAL B 8 -2.777 1.777 -10.915 1.00 0.00 C HETATM 433 O DAL B 8 -2.123 1.046 -10.202 1.00 0.00 O HETATM 0 HB3 DAL B 8 -4.206 1.411 -8.611 1.00 0.00 H new HETATM 0 HB2 DAL B 8 -5.605 2.418 -9.054 1.00 0.00 H new HETATM 0 HB1 DAL B 8 -5.206 0.976 -10.018 1.00 0.00 H new HETATM 0 HA DAL B 8 -4.469 3.065 -11.173 1.00 0.00 H new HETATM 0 H DAL B 8 -3.574 3.886 -8.555 1.00 0.00 H new ATOM 439 N SER B 9 -2.573 1.834 -12.205 1.00 0.00 N ATOM 440 CA SER B 9 -1.513 0.995 -12.836 1.00 0.00 C ATOM 441 C SER B 9 -0.258 1.004 -11.963 1.00 0.00 C ATOM 442 O SER B 9 0.502 0.054 -11.943 1.00 0.00 O ATOM 443 CB SER B 9 -1.174 1.556 -14.218 1.00 0.00 C ATOM 444 OG SER B 9 -0.561 0.540 -14.999 1.00 0.00 O ATOM 0 H SER B 9 -3.096 2.427 -12.850 1.00 0.00 H new ATOM 0 HA SER B 9 -1.876 -0.028 -12.935 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.079 1.913 -14.710 1.00 0.00 H new ATOM 0 HB3 SER B 9 -0.505 2.411 -14.122 1.00 0.00 H new ATOM 0 HG SER B 9 0.161 0.122 -14.484 1.00 0.00 H new ATOM 450 N ASP B 10 -0.034 2.063 -11.241 1.00 0.00 N ATOM 451 CA ASP B 10 1.169 2.126 -10.370 1.00 0.00 C ATOM 452 C ASP B 10 0.805 1.574 -8.995 1.00 0.00 C ATOM 453 O ASP B 10 1.629 1.016 -8.296 1.00 0.00 O ATOM 454 CB ASP B 10 1.639 3.577 -10.265 1.00 0.00 C ATOM 455 CG ASP B 10 3.056 3.696 -10.825 1.00 0.00 C ATOM 456 OD1 ASP B 10 3.350 3.010 -11.791 1.00 0.00 O ATOM 457 OD2 ASP B 10 3.824 4.473 -10.283 1.00 0.00 O ATOM 0 H ASP B 10 -0.632 2.889 -11.216 1.00 0.00 H new ATOM 0 HA ASP B 10 1.979 1.530 -10.790 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.963 4.230 -10.816 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.619 3.902 -9.225 1.00 0.00 H new ATOM 462 N LEU B 11 -0.434 1.697 -8.617 1.00 0.00 N ATOM 463 CA LEU B 11 -0.880 1.158 -7.304 1.00 0.00 C ATOM 464 C LEU B 11 -0.704 -0.358 -7.323 1.00 0.00 C ATOM 465 O LEU B 11 -0.022 -0.929 -6.495 1.00 0.00 O ATOM 466 CB LEU B 11 -2.361 1.490 -7.094 1.00 0.00 C ATOM 467 CG LEU B 11 -2.605 2.009 -5.661 1.00 0.00 C ATOM 468 CD1 LEU B 11 -1.704 1.274 -4.672 1.00 0.00 C ATOM 469 CD2 LEU B 11 -2.313 3.508 -5.572 1.00 0.00 C ATOM 0 H LEU B 11 -1.164 2.152 -9.166 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.293 1.599 -6.498 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.677 2.242 -7.817 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.967 0.602 -7.273 1.00 0.00 H new ATOM 0 HG LEU B 11 -3.651 1.828 -5.413 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.886 1.650 -3.665 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.921 0.206 -4.706 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.660 1.440 -4.938 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -2.491 3.854 -4.554 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.273 3.693 -5.841 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -2.966 4.047 -6.258 1.00 0.00 H new ATOM 481 N VAL B 12 -1.309 -1.008 -8.276 1.00 0.00 N ATOM 482 CA VAL B 12 -1.175 -2.484 -8.372 1.00 0.00 C ATOM 483 C VAL B 12 0.299 -2.832 -8.584 1.00 0.00 C ATOM 484 O VAL B 12 0.849 -3.689 -7.921 1.00 0.00 O ATOM 485 CB VAL B 12 -1.996 -2.988 -9.559 1.00 0.00 C ATOM 486 CG1 VAL B 12 -2.334 -4.458 -9.366 1.00 0.00 C ATOM 487 CG2 VAL B 12 -3.293 -2.184 -9.662 1.00 0.00 C ATOM 0 H VAL B 12 -1.892 -0.578 -8.994 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.537 -2.954 -7.457 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.414 -2.866 -10.472 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -2.919 -4.811 -10.215 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.413 -5.037 -9.294 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.912 -4.581 -8.450 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.878 -2.544 -10.508 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.870 -2.305 -8.745 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.057 -1.130 -9.806 1.00 0.00 H new ATOM 497 N GLU B 13 0.941 -2.162 -9.501 1.00 0.00 N ATOM 498 CA GLU B 13 2.382 -2.440 -9.759 1.00 0.00 C ATOM 499 C GLU B 13 3.146 -2.415 -8.432 1.00 0.00 C ATOM 500 O GLU B 13 4.111 -3.129 -8.249 1.00 0.00 O ATOM 501 CB GLU B 13 2.949 -1.369 -10.692 1.00 0.00 C ATOM 502 CG GLU B 13 3.029 -1.923 -12.115 1.00 0.00 C ATOM 503 CD GLU B 13 2.664 -0.824 -13.115 1.00 0.00 C ATOM 504 OE1 GLU B 13 3.375 0.168 -13.160 1.00 0.00 O ATOM 505 OE2 GLU B 13 1.682 -0.992 -13.819 1.00 0.00 O ATOM 0 H GLU B 13 0.529 -1.433 -10.084 1.00 0.00 H new ATOM 0 HA GLU B 13 2.488 -3.420 -10.225 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.317 -0.481 -10.671 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.939 -1.063 -10.353 1.00 0.00 H new ATOM 0 HG2 GLU B 13 4.035 -2.292 -12.316 1.00 0.00 H new ATOM 0 HG3 GLU B 13 2.351 -2.769 -12.225 1.00 0.00 H new ATOM 512 N ALA B 14 2.720 -1.602 -7.505 1.00 0.00 N ATOM 513 CA ALA B 14 3.420 -1.541 -6.192 1.00 0.00 C ATOM 514 C ALA B 14 3.078 -2.797 -5.397 1.00 0.00 C ATOM 515 O ALA B 14 3.937 -3.580 -5.051 1.00 0.00 O ATOM 516 CB ALA B 14 2.964 -0.297 -5.420 1.00 0.00 C ATOM 0 H ALA B 14 1.919 -0.978 -7.600 1.00 0.00 H new ATOM 0 HA ALA B 14 4.497 -1.483 -6.347 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.478 -0.256 -4.460 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.201 0.597 -5.997 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.888 -0.346 -5.253 1.00 0.00 H new ATOM 522 N LEU B 15 1.821 -3.003 -5.114 1.00 0.00 N ATOM 523 CA LEU B 15 1.421 -4.218 -4.351 1.00 0.00 C ATOM 524 C LEU B 15 1.838 -5.461 -5.135 1.00 0.00 C ATOM 525 O LEU B 15 2.199 -6.471 -4.573 1.00 0.00 O ATOM 526 CB LEU B 15 -0.094 -4.225 -4.151 1.00 0.00 C ATOM 527 CG LEU B 15 -0.501 -2.975 -3.364 1.00 0.00 C ATOM 528 CD1 LEU B 15 -1.955 -2.604 -3.672 1.00 0.00 C ATOM 529 CD2 LEU B 15 -0.351 -3.248 -1.867 1.00 0.00 C ATOM 0 H LEU B 15 1.055 -2.383 -5.378 1.00 0.00 H new ATOM 0 HA LEU B 15 1.911 -4.215 -3.377 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.601 -4.243 -5.116 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.398 -5.123 -3.614 1.00 0.00 H new ATOM 0 HG LEU B 15 0.144 -2.146 -3.655 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.231 -1.714 -3.106 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.061 -2.404 -4.738 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.609 -3.430 -3.391 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.640 -2.360 -1.305 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.993 -4.082 -1.583 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.687 -3.497 -1.645 1.00 0.00 H new ATOM 541 N TYR B 16 1.796 -5.389 -6.438 1.00 0.00 N ATOM 542 CA TYR B 16 2.200 -6.567 -7.258 1.00 0.00 C ATOM 543 C TYR B 16 3.653 -6.913 -6.943 1.00 0.00 C ATOM 544 O TYR B 16 3.965 -8.011 -6.530 1.00 0.00 O ATOM 545 CB TYR B 16 2.065 -6.230 -8.744 1.00 0.00 C ATOM 546 CG TYR B 16 2.548 -7.399 -9.570 1.00 0.00 C ATOM 547 CD1 TYR B 16 3.920 -7.597 -9.769 1.00 0.00 C ATOM 548 CD2 TYR B 16 1.621 -8.284 -10.137 1.00 0.00 C ATOM 549 CE1 TYR B 16 4.365 -8.682 -10.536 1.00 0.00 C ATOM 550 CE2 TYR B 16 2.067 -9.369 -10.904 1.00 0.00 C ATOM 551 CZ TYR B 16 3.439 -9.568 -11.103 1.00 0.00 C ATOM 552 OH TYR B 16 3.880 -10.638 -11.856 1.00 0.00 O ATOM 0 H TYR B 16 1.501 -4.569 -6.968 1.00 0.00 H new ATOM 0 HA TYR B 16 1.558 -7.416 -7.025 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.026 -6.006 -8.984 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.646 -5.339 -8.980 1.00 0.00 H new ATOM 0 HD1 TYR B 16 4.634 -6.915 -9.332 1.00 0.00 H new ATOM 0 HD2 TYR B 16 0.563 -8.130 -9.983 1.00 0.00 H new ATOM 0 HE1 TYR B 16 5.423 -8.836 -10.690 1.00 0.00 H new ATOM 0 HE2 TYR B 16 1.353 -10.051 -11.341 1.00 0.00 H new ATOM 0 HH TYR B 16 3.110 -11.154 -12.174 1.00 0.00 H new ATOM 562 N LEU B 17 4.546 -5.980 -7.133 1.00 0.00 N ATOM 563 CA LEU B 17 5.980 -6.252 -6.843 1.00 0.00 C ATOM 564 C LEU B 17 6.185 -6.331 -5.329 1.00 0.00 C ATOM 565 O LEU B 17 6.996 -7.095 -4.843 1.00 0.00 O ATOM 566 CB LEU B 17 6.842 -5.127 -7.419 1.00 0.00 C ATOM 567 CG LEU B 17 7.322 -5.516 -8.817 1.00 0.00 C ATOM 568 CD1 LEU B 17 7.002 -4.388 -9.800 1.00 0.00 C ATOM 569 CD2 LEU B 17 8.834 -5.754 -8.791 1.00 0.00 C ATOM 0 H LEU B 17 4.343 -5.041 -7.477 1.00 0.00 H new ATOM 0 HA LEU B 17 6.271 -7.198 -7.300 1.00 0.00 H new ATOM 0 HB2 LEU B 17 6.268 -4.202 -7.465 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.697 -4.940 -6.769 1.00 0.00 H new ATOM 0 HG LEU B 17 6.815 -6.428 -9.132 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.345 -4.666 -10.797 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.926 -4.218 -9.821 1.00 0.00 H new ATOM 0 HD13 LEU B 17 7.508 -3.476 -9.484 1.00 0.00 H new ATOM 0 HD21 LEU B 17 9.176 -6.031 -9.788 1.00 0.00 H new ATOM 0 HD22 LEU B 17 9.340 -4.842 -8.474 1.00 0.00 H new ATOM 0 HD23 LEU B 17 9.064 -6.558 -8.092 1.00 0.00 H new ATOM 581 N VAL B 18 5.453 -5.554 -4.580 1.00 0.00 N ATOM 582 CA VAL B 18 5.602 -5.591 -3.100 1.00 0.00 C ATOM 583 C VAL B 18 5.014 -6.896 -2.573 1.00 0.00 C ATOM 584 O VAL B 18 5.682 -7.679 -1.928 1.00 0.00 O ATOM 585 CB VAL B 18 4.839 -4.424 -2.477 1.00 0.00 C ATOM 586 CG1 VAL B 18 4.983 -4.476 -0.956 1.00 0.00 C ATOM 587 CG2 VAL B 18 5.404 -3.102 -2.996 1.00 0.00 C ATOM 0 H VAL B 18 4.758 -4.895 -4.930 1.00 0.00 H new ATOM 0 HA VAL B 18 6.658 -5.520 -2.841 1.00 0.00 H new ATOM 0 HB VAL B 18 3.786 -4.497 -2.748 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.439 -3.643 -0.510 1.00 0.00 H new ATOM 0 HG12 VAL B 18 4.576 -5.416 -0.584 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.037 -4.406 -0.688 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.857 -2.272 -2.549 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.458 -3.027 -2.729 1.00 0.00 H new ATOM 0 HG23 VAL B 18 5.300 -3.063 -4.080 1.00 0.00 H new ATOM 597 N CYS B 19 3.761 -7.129 -2.843 1.00 0.00 N ATOM 598 CA CYS B 19 3.114 -8.374 -2.358 1.00 0.00 C ATOM 599 C CYS B 19 3.295 -9.487 -3.394 1.00 0.00 C ATOM 600 O CYS B 19 3.969 -10.468 -3.156 1.00 0.00 O ATOM 601 CB CYS B 19 1.622 -8.120 -2.137 1.00 0.00 C ATOM 602 SG CYS B 19 1.357 -7.506 -0.456 1.00 0.00 S ATOM 0 H CYS B 19 3.157 -6.508 -3.381 1.00 0.00 H new ATOM 0 HA CYS B 19 3.575 -8.678 -1.418 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.254 -7.395 -2.863 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.059 -9.040 -2.293 1.00 0.00 H new ATOM 607 N GLY B 20 2.698 -9.343 -4.545 1.00 0.00 N ATOM 608 CA GLY B 20 2.837 -10.395 -5.591 1.00 0.00 C ATOM 609 C GLY B 20 1.781 -11.476 -5.373 1.00 0.00 C ATOM 610 O GLY B 20 0.635 -11.193 -5.082 1.00 0.00 O ATOM 0 H GLY B 20 2.121 -8.544 -4.806 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.722 -9.955 -6.582 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.834 -10.833 -5.550 1.00 0.00 H new ATOM 614 N GLU B 21 2.156 -12.717 -5.517 1.00 0.00 N ATOM 615 CA GLU B 21 1.173 -13.822 -5.324 1.00 0.00 C ATOM 616 C GLU B 21 0.734 -13.875 -3.859 1.00 0.00 C ATOM 617 O GLU B 21 -0.206 -14.562 -3.509 1.00 0.00 O ATOM 618 CB GLU B 21 1.824 -15.153 -5.707 1.00 0.00 C ATOM 619 CG GLU B 21 2.128 -15.164 -7.207 1.00 0.00 C ATOM 620 CD GLU B 21 3.567 -15.625 -7.433 1.00 0.00 C ATOM 621 OE1 GLU B 21 4.117 -16.252 -6.542 1.00 0.00 O ATOM 622 OE2 GLU B 21 4.099 -15.346 -8.497 1.00 0.00 O ATOM 0 H GLU B 21 3.101 -13.015 -5.760 1.00 0.00 H new ATOM 0 HA GLU B 21 0.302 -13.643 -5.955 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.743 -15.297 -5.139 1.00 0.00 H new ATOM 0 HB3 GLU B 21 1.160 -15.980 -5.454 1.00 0.00 H new ATOM 0 HG2 GLU B 21 1.437 -15.829 -7.724 1.00 0.00 H new ATOM 0 HG3 GLU B 21 1.984 -14.168 -7.625 1.00 0.00 H new ATOM 629 N ARG B 22 1.404 -13.159 -2.997 1.00 0.00 N ATOM 630 CA ARG B 22 1.008 -13.182 -1.554 1.00 0.00 C ATOM 631 C ARG B 22 -0.483 -12.877 -1.438 1.00 0.00 C ATOM 632 O ARG B 22 -1.129 -13.247 -0.480 1.00 0.00 O ATOM 633 CB ARG B 22 1.808 -12.141 -0.761 1.00 0.00 C ATOM 634 CG ARG B 22 3.071 -12.794 -0.193 1.00 0.00 C ATOM 635 CD ARG B 22 4.286 -11.911 -0.486 1.00 0.00 C ATOM 636 NE ARG B 22 5.370 -12.740 -1.083 1.00 0.00 N ATOM 637 CZ ARG B 22 5.815 -13.787 -0.445 1.00 0.00 C ATOM 638 NH1 ARG B 22 6.554 -13.639 0.620 1.00 0.00 N ATOM 639 NH2 ARG B 22 5.518 -14.985 -0.873 1.00 0.00 N ATOM 0 H ARG B 22 2.201 -12.564 -3.223 1.00 0.00 H new ATOM 0 HA ARG B 22 1.219 -14.170 -1.144 1.00 0.00 H new ATOM 0 HB2 ARG B 22 2.077 -11.304 -1.406 1.00 0.00 H new ATOM 0 HB3 ARG B 22 1.199 -11.737 0.048 1.00 0.00 H new ATOM 0 HG2 ARG B 22 2.965 -12.938 0.882 1.00 0.00 H new ATOM 0 HG3 ARG B 22 3.212 -13.781 -0.634 1.00 0.00 H new ATOM 0 HD2 ARG B 22 4.009 -11.108 -1.169 1.00 0.00 H new ATOM 0 HD3 ARG B 22 4.637 -11.441 0.432 1.00 0.00 H new ATOM 0 HE ARG B 22 5.764 -12.489 -1.990 1.00 0.00 H new ATOM 0 HH11 ARG B 22 6.785 -12.704 0.955 1.00 0.00 H new ATOM 0 HH12 ARG B 22 6.901 -14.459 1.118 1.00 0.00 H new ATOM 0 HH21 ARG B 22 4.939 -15.100 -1.705 1.00 0.00 H new ATOM 0 HH22 ARG B 22 5.865 -15.805 -0.375 1.00 0.00 H new ATOM 653 N GLY B 23 -1.033 -12.213 -2.413 1.00 0.00 N ATOM 654 CA GLY B 23 -2.489 -11.894 -2.366 1.00 0.00 C ATOM 655 C GLY B 23 -2.697 -10.433 -1.947 1.00 0.00 C ATOM 656 O GLY B 23 -3.071 -10.151 -0.826 1.00 0.00 O ATOM 0 H GLY B 23 -0.540 -11.877 -3.240 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -2.939 -12.067 -3.344 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -2.992 -12.557 -1.662 1.00 0.00 H new ATOM 660 N PHE B 24 -2.472 -9.497 -2.834 1.00 0.00 N ATOM 661 CA PHE B 24 -2.675 -8.066 -2.472 1.00 0.00 C ATOM 662 C PHE B 24 -3.999 -7.585 -3.068 1.00 0.00 C ATOM 663 O PHE B 24 -4.302 -7.827 -4.219 1.00 0.00 O ATOM 664 CB PHE B 24 -1.517 -7.205 -3.004 1.00 0.00 C ATOM 665 CG PHE B 24 -1.654 -7.000 -4.496 1.00 0.00 C ATOM 666 CD1 PHE B 24 -2.596 -6.092 -5.006 1.00 0.00 C ATOM 667 CD2 PHE B 24 -0.839 -7.727 -5.377 1.00 0.00 C ATOM 668 CE1 PHE B 24 -2.718 -5.914 -6.388 1.00 0.00 C ATOM 669 CE2 PHE B 24 -0.964 -7.548 -6.758 1.00 0.00 C ATOM 670 CZ PHE B 24 -1.903 -6.643 -7.265 1.00 0.00 C ATOM 0 H PHE B 24 -2.157 -9.663 -3.790 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.701 -7.970 -1.387 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.510 -6.240 -2.497 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.565 -7.688 -2.783 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -3.226 -5.531 -4.331 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -0.114 -8.426 -4.988 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -3.441 -5.214 -6.780 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -0.335 -8.109 -7.434 1.00 0.00 H new ATOM 0 HZ PHE B 24 -2.000 -6.506 -8.332 1.00 0.00 H new ATOM 680 N PHE B 25 -4.793 -6.915 -2.283 1.00 0.00 N ATOM 681 CA PHE B 25 -6.106 -6.417 -2.791 1.00 0.00 C ATOM 682 C PHE B 25 -6.304 -4.970 -2.337 1.00 0.00 C ATOM 683 O PHE B 25 -6.829 -4.708 -1.272 1.00 0.00 O ATOM 684 CB PHE B 25 -7.238 -7.299 -2.245 1.00 0.00 C ATOM 685 CG PHE B 25 -8.562 -6.579 -2.372 1.00 0.00 C ATOM 686 CD1 PHE B 25 -9.166 -6.438 -3.626 1.00 0.00 C ATOM 687 CD2 PHE B 25 -9.181 -6.054 -1.229 1.00 0.00 C ATOM 688 CE1 PHE B 25 -10.394 -5.771 -3.740 1.00 0.00 C ATOM 689 CE2 PHE B 25 -10.408 -5.386 -1.344 1.00 0.00 C ATOM 690 CZ PHE B 25 -11.015 -5.244 -2.600 1.00 0.00 C ATOM 0 H PHE B 25 -4.592 -6.689 -1.309 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.120 -6.459 -3.880 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -7.273 -8.241 -2.793 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.047 -7.545 -1.200 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.687 -6.843 -4.505 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.713 -6.164 -0.262 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -10.862 -5.663 -4.708 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -10.886 -4.980 -0.465 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.960 -4.729 -2.689 1.00 0.00 H new ATOM 700 N TYR B 26 -5.885 -4.034 -3.140 1.00 0.00 N ATOM 701 CA TYR B 26 -6.041 -2.602 -2.763 1.00 0.00 C ATOM 702 C TYR B 26 -7.509 -2.185 -2.908 1.00 0.00 C ATOM 703 O TYR B 26 -8.241 -2.724 -3.712 1.00 0.00 O ATOM 704 CB TYR B 26 -5.148 -1.738 -3.668 1.00 0.00 C ATOM 705 CG TYR B 26 -5.851 -1.427 -4.974 1.00 0.00 C ATOM 706 CD1 TYR B 26 -6.371 -2.466 -5.761 1.00 0.00 C ATOM 707 CD2 TYR B 26 -5.981 -0.099 -5.395 1.00 0.00 C ATOM 708 CE1 TYR B 26 -7.023 -2.170 -6.965 1.00 0.00 C ATOM 709 CE2 TYR B 26 -6.632 0.196 -6.598 1.00 0.00 C ATOM 710 CZ TYR B 26 -7.153 -0.838 -7.385 1.00 0.00 C ATOM 711 OH TYR B 26 -7.794 -0.548 -8.571 1.00 0.00 O ATOM 0 H TYR B 26 -5.440 -4.199 -4.043 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.740 -2.461 -1.725 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.893 -0.810 -3.156 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -4.212 -2.259 -3.868 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.269 -3.492 -5.439 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -5.578 0.700 -4.790 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -7.426 -2.968 -7.571 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.733 1.222 -6.920 1.00 0.00 H new ATOM 0 HH TYR B 26 -7.798 0.422 -8.712 1.00 0.00 H new ATOM 721 N THR B 27 -7.940 -1.224 -2.137 1.00 0.00 N ATOM 722 CA THR B 27 -9.357 -0.773 -2.235 1.00 0.00 C ATOM 723 C THR B 27 -9.496 0.192 -3.417 1.00 0.00 C ATOM 724 O THR B 27 -8.560 0.421 -4.156 1.00 0.00 O ATOM 725 CB THR B 27 -9.756 -0.058 -0.941 1.00 0.00 C ATOM 726 OG1 THR B 27 -11.130 0.300 -1.005 1.00 0.00 O ATOM 727 CG2 THR B 27 -8.908 1.203 -0.769 1.00 0.00 C ATOM 0 H THR B 27 -7.374 -0.733 -1.445 1.00 0.00 H new ATOM 0 HA THR B 27 -10.007 -1.634 -2.386 1.00 0.00 H new ATOM 0 HB THR B 27 -9.591 -0.723 -0.093 1.00 0.00 H new ATOM 0 HG1 THR B 27 -11.388 0.756 -0.177 1.00 0.00 H new ATOM 0 HG21 THR B 27 -9.193 1.711 0.152 1.00 0.00 H new ATOM 0 HG22 THR B 27 -7.854 0.929 -0.721 1.00 0.00 H new ATOM 0 HG23 THR B 27 -9.071 1.870 -1.616 1.00 0.00 H new ATOM 735 N LYS B 28 -10.658 0.756 -3.602 1.00 0.00 N ATOM 736 CA LYS B 28 -10.852 1.703 -4.738 1.00 0.00 C ATOM 737 C LYS B 28 -11.051 3.121 -4.168 1.00 0.00 C ATOM 738 O LYS B 28 -10.829 3.330 -2.991 1.00 0.00 O ATOM 739 CB LYS B 28 -12.081 1.271 -5.547 1.00 0.00 C ATOM 740 CG LYS B 28 -12.268 -0.245 -5.442 1.00 0.00 C ATOM 741 CD LYS B 28 -11.064 -0.952 -6.066 1.00 0.00 C ATOM 742 CE LYS B 28 -11.520 -2.263 -6.710 1.00 0.00 C ATOM 743 NZ LYS B 28 -12.310 -1.964 -7.939 1.00 0.00 N ATOM 0 H LYS B 28 -11.480 0.603 -3.018 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.982 1.699 -5.394 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -12.969 1.782 -5.176 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -11.960 1.560 -6.591 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -12.374 -0.538 -4.397 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -13.184 -0.545 -5.951 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -10.599 -0.310 -6.814 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -10.311 -1.151 -5.304 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -10.655 -2.877 -6.961 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -12.124 -2.835 -6.006 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -12.220 -2.753 -8.610 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -13.311 -1.837 -7.686 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -11.951 -1.093 -8.379 1.00 0.00 H new ATOM 757 N PRO B 29 -11.453 4.067 -5.000 1.00 0.00 N ATOM 758 CA PRO B 29 -11.661 5.451 -4.546 1.00 0.00 C ATOM 759 C PRO B 29 -13.021 5.586 -3.856 1.00 0.00 C ATOM 760 O PRO B 29 -13.994 5.997 -4.457 1.00 0.00 O ATOM 761 CB PRO B 29 -11.618 6.269 -5.839 1.00 0.00 C ATOM 762 CG PRO B 29 -11.958 5.289 -6.987 1.00 0.00 C ATOM 763 CD PRO B 29 -11.735 3.865 -6.442 1.00 0.00 C ATOM 0 HA PRO B 29 -10.918 5.780 -3.820 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -12.335 7.089 -5.804 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -10.633 6.712 -5.986 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -12.990 5.420 -7.314 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -11.323 5.474 -7.854 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -12.615 3.239 -6.592 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -10.903 3.372 -6.945 1.00 0.00 H new ATOM 771 N THR B 30 -13.096 5.242 -2.598 1.00 0.00 N ATOM 772 CA THR B 30 -14.391 5.350 -1.872 1.00 0.00 C ATOM 773 C THR B 30 -14.132 5.778 -0.426 1.00 0.00 C ATOM 774 O THR B 30 -14.086 4.910 0.429 1.00 0.00 O ATOM 775 CB THR B 30 -15.095 3.991 -1.883 1.00 0.00 C ATOM 776 OG1 THR B 30 -14.123 2.957 -1.823 1.00 0.00 O ATOM 777 CG2 THR B 30 -15.917 3.848 -3.164 1.00 0.00 C ATOM 778 OXT THR B 30 -13.980 6.968 -0.198 1.00 0.00 O ATOM 0 H THR B 30 -12.315 4.891 -2.043 1.00 0.00 H new ATOM 0 HA THR B 30 -15.022 6.091 -2.362 1.00 0.00 H new ATOM 0 HB THR B 30 -15.758 3.918 -1.021 1.00 0.00 H new ATOM 0 HG1 THR B 30 -14.572 2.086 -1.828 1.00 0.00 H new ATOM 0 HG21 THR B 30 -16.417 2.880 -3.169 1.00 0.00 H new ATOM 0 HG22 THR B 30 -16.663 4.642 -3.208 1.00 0.00 H new ATOM 0 HG23 THR B 30 -15.258 3.921 -4.029 1.00 0.00 H new TER 786 THR B 30