USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 438 hydrogens (0 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 Single : A 3 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.029) USER MOD Single : A 4 CYS SG : rot 5:sc= -2.17 USER MOD Single : A 5 LYS NZ :NH3+ 148:sc= -0.0203 (180deg=-1.33!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.143 K(o=-0.14,f=-1.3!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0.1) USER MOD Single : A 21 LYS NZ :NH3+ -177:sc= 0.609 (180deg=0.601) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 170:sc= -0.394 USER MOD Single : A 40 THR OG1 : rot -39:sc= 0.476 USER MOD Single : A 42 ASN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 43 ASN : amide:sc= -0.0151 X(o=-0.015,f=-0.38) USER MOD Single : A 44 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0203) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -2.29 K(o=-2.3,f=-8!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 2 -1.554 11.028 4.950 1.00 0.00 N ATOM 21 CA ARG A 2 -2.116 9.684 5.021 1.00 0.00 C ATOM 22 C ARG A 2 -1.152 8.660 4.428 1.00 0.00 C ATOM 23 O ARG A 2 -0.984 8.583 3.211 1.00 0.00 O ATOM 24 CB ARG A 2 -3.457 9.631 4.284 1.00 0.00 C ATOM 25 CG ARG A 2 -4.656 9.502 5.212 1.00 0.00 C ATOM 26 CD ARG A 2 -5.407 8.200 4.980 1.00 0.00 C ATOM 27 NE ARG A 2 -6.517 8.034 5.915 1.00 0.00 N ATOM 28 CZ ARG A 2 -7.663 8.706 5.833 1.00 0.00 C ATOM 29 NH1 ARG A 2 -7.853 9.590 4.862 1.00 0.00 N ATOM 30 NH2 ARG A 2 -8.621 8.493 6.725 1.00 0.00 N ATOM 0 HA ARG A 2 -2.277 9.437 6.070 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.568 10.534 3.683 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.450 8.788 3.594 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.321 9.550 6.248 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -5.330 10.344 5.056 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.787 8.178 3.959 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -4.718 7.361 5.082 1.00 0.00 H new ATOM 0 HE ARG A 2 -6.407 7.363 6.676 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -7.119 9.757 4.174 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -8.733 10.102 4.804 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -8.479 7.815 7.473 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -9.499 9.008 6.663 1.00 0.00 H new ATOM 44 N GLN A 3 -0.521 7.876 5.297 1.00 0.00 N ATOM 45 CA GLN A 3 0.425 6.856 4.860 1.00 0.00 C ATOM 46 C GLN A 3 0.292 5.593 5.706 1.00 0.00 C ATOM 47 O GLN A 3 -0.037 5.660 6.890 1.00 0.00 O ATOM 48 CB GLN A 3 1.857 7.389 4.942 1.00 0.00 C ATOM 49 CG GLN A 3 2.132 8.545 3.994 1.00 0.00 C ATOM 50 CD GLN A 3 2.854 9.695 4.669 1.00 0.00 C ATOM 51 OE1 GLN A 3 2.543 10.863 4.433 1.00 0.00 O ATOM 52 NE2 GLN A 3 3.824 9.369 5.515 1.00 0.00 N ATOM 0 H GLN A 3 -0.648 7.928 6.308 1.00 0.00 H new ATOM 0 HA GLN A 3 0.197 6.605 3.824 1.00 0.00 H new ATOM 0 HB2 GLN A 3 2.057 7.712 5.963 1.00 0.00 H new ATOM 0 HB3 GLN A 3 2.551 6.577 4.723 1.00 0.00 H new ATOM 0 HG2 GLN A 3 2.730 8.188 3.156 1.00 0.00 H new ATOM 0 HG3 GLN A 3 1.189 8.905 3.583 1.00 0.00 H new ATOM 0 HE21 GLN A 3 4.048 8.388 5.680 1.00 0.00 H new ATOM 0 HE22 GLN A 3 4.345 10.100 6.000 1.00 0.00 H new ATOM 61 N CYS A 4 0.549 4.444 5.090 1.00 0.00 N ATOM 62 CA CYS A 4 0.457 3.166 5.786 1.00 0.00 C ATOM 63 C CYS A 4 1.468 2.169 5.228 1.00 0.00 C ATOM 64 O CYS A 4 1.737 2.154 4.027 1.00 0.00 O ATOM 65 CB CYS A 4 -0.958 2.597 5.662 1.00 0.00 C ATOM 66 SG CYS A 4 -2.210 3.526 6.579 1.00 0.00 S ATOM 0 H CYS A 4 0.823 4.372 4.110 1.00 0.00 H new ATOM 0 HA CYS A 4 0.684 3.336 6.839 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -1.238 2.573 4.609 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -0.956 1.566 6.015 1.00 0.00 H new ATOM 0 HG CYS A 4 -1.668 4.585 7.102 1.00 0.00 H new ATOM 72 N LYS A 5 2.023 1.334 6.102 1.00 0.00 N ATOM 73 CA LYS A 5 3.000 0.336 5.682 1.00 0.00 C ATOM 74 C LYS A 5 2.519 -1.076 6.003 1.00 0.00 C ATOM 75 O LYS A 5 2.168 -1.383 7.140 1.00 0.00 O ATOM 76 CB LYS A 5 4.347 0.594 6.359 1.00 0.00 C ATOM 77 CG LYS A 5 4.322 0.396 7.867 1.00 0.00 C ATOM 78 CD LYS A 5 4.964 -0.922 8.268 1.00 0.00 C ATOM 79 CE LYS A 5 5.632 -0.825 9.631 1.00 0.00 C ATOM 80 NZ LYS A 5 7.072 -0.457 9.523 1.00 0.00 N ATOM 0 H LYS A 5 1.814 1.329 7.100 1.00 0.00 H new ATOM 0 HA LYS A 5 3.120 0.419 4.602 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.094 -0.071 5.927 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.664 1.614 6.141 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.847 1.219 8.352 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.291 0.422 8.221 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.207 -1.706 8.288 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.702 -1.211 7.520 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.113 -0.083 10.237 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.540 -1.780 10.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.350 0.106 10.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.649 -1.321 9.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.224 0.101 8.659 1.00 0.00 H new ATOM 94 N VAL A 6 2.514 -1.926 4.985 1.00 0.00 N ATOM 95 CA VAL A 6 2.084 -3.314 5.122 1.00 0.00 C ATOM 96 C VAL A 6 2.969 -4.074 6.105 1.00 0.00 C ATOM 97 O VAL A 6 4.177 -3.847 6.173 1.00 0.00 O ATOM 98 CB VAL A 6 2.113 -4.051 3.765 1.00 0.00 C ATOM 99 CG1 VAL A 6 1.324 -5.348 3.847 1.00 0.00 C ATOM 100 CG2 VAL A 6 1.581 -3.163 2.646 1.00 0.00 C ATOM 0 H VAL A 6 2.807 -1.675 4.041 1.00 0.00 H new ATOM 0 HA VAL A 6 1.061 -3.286 5.498 1.00 0.00 H new ATOM 0 HB VAL A 6 3.150 -4.293 3.533 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.355 -5.854 2.882 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.762 -5.993 4.609 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.289 -5.128 4.108 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.613 -3.708 1.703 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.552 -2.878 2.866 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.197 -2.267 2.569 1.00 0.00 H new ATOM 110 N LEU A 7 2.357 -4.979 6.863 1.00 0.00 N ATOM 111 CA LEU A 7 3.087 -5.777 7.843 1.00 0.00 C ATOM 112 C LEU A 7 3.554 -7.102 7.242 1.00 0.00 C ATOM 113 O LEU A 7 4.497 -7.718 7.740 1.00 0.00 O ATOM 114 CB LEU A 7 2.219 -6.040 9.078 1.00 0.00 C ATOM 115 CG LEU A 7 0.798 -6.535 8.792 1.00 0.00 C ATOM 116 CD1 LEU A 7 0.816 -7.974 8.300 1.00 0.00 C ATOM 117 CD2 LEU A 7 -0.070 -6.405 10.035 1.00 0.00 C ATOM 0 H LEU A 7 1.358 -5.178 6.818 1.00 0.00 H new ATOM 0 HA LEU A 7 3.967 -5.208 8.142 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.722 -6.777 9.704 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.154 -5.119 9.658 1.00 0.00 H new ATOM 0 HG LEU A 7 0.371 -5.913 8.005 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.204 -8.304 8.103 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.401 -8.038 7.383 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.264 -8.613 9.061 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.076 -6.761 9.815 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.357 -7.001 10.841 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.114 -5.360 10.341 1.00 0.00 H new ATOM 129 N PHE A 8 2.892 -7.537 6.173 1.00 0.00 N ATOM 130 CA PHE A 8 3.248 -8.791 5.513 1.00 0.00 C ATOM 131 C PHE A 8 3.767 -8.537 4.101 1.00 0.00 C ATOM 132 O PHE A 8 3.825 -7.395 3.645 1.00 0.00 O ATOM 133 CB PHE A 8 2.039 -9.729 5.463 1.00 0.00 C ATOM 134 CG PHE A 8 2.368 -11.151 5.819 1.00 0.00 C ATOM 135 CD1 PHE A 8 2.574 -11.518 7.139 1.00 0.00 C ATOM 136 CD2 PHE A 8 2.469 -12.120 4.834 1.00 0.00 C ATOM 137 CE1 PHE A 8 2.875 -12.825 7.471 1.00 0.00 C ATOM 138 CE2 PHE A 8 2.771 -13.429 5.159 1.00 0.00 C ATOM 139 CZ PHE A 8 2.974 -13.782 6.479 1.00 0.00 C ATOM 0 H PHE A 8 2.109 -7.042 5.746 1.00 0.00 H new ATOM 0 HA PHE A 8 4.041 -9.263 6.093 1.00 0.00 H new ATOM 0 HB2 PHE A 8 1.274 -9.360 6.146 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.611 -9.704 4.461 1.00 0.00 H new ATOM 0 HD1 PHE A 8 2.498 -10.774 7.918 1.00 0.00 H new ATOM 0 HD2 PHE A 8 2.310 -11.849 3.801 1.00 0.00 H new ATOM 0 HE1 PHE A 8 3.033 -13.098 8.504 1.00 0.00 H new ATOM 0 HE2 PHE A 8 2.848 -14.175 4.382 1.00 0.00 H new ATOM 0 HZ PHE A 8 3.210 -14.804 6.735 1.00 0.00 H new ATOM 149 N GLU A 9 4.144 -9.611 3.414 1.00 0.00 N ATOM 150 CA GLU A 9 4.659 -9.507 2.054 1.00 0.00 C ATOM 151 C GLU A 9 3.573 -9.836 1.033 1.00 0.00 C ATOM 152 O GLU A 9 2.615 -10.545 1.338 1.00 0.00 O ATOM 153 CB GLU A 9 5.854 -10.445 1.868 1.00 0.00 C ATOM 154 CG GLU A 9 7.017 -9.808 1.124 1.00 0.00 C ATOM 155 CD GLU A 9 7.664 -10.755 0.134 1.00 0.00 C ATOM 156 OE1 GLU A 9 6.937 -11.321 -0.709 1.00 0.00 O ATOM 157 OE2 GLU A 9 8.899 -10.931 0.201 1.00 0.00 O ATOM 0 H GLU A 9 4.102 -10.563 3.777 1.00 0.00 H new ATOM 0 HA GLU A 9 4.983 -8.479 1.891 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.199 -10.779 2.847 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.528 -11.332 1.325 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.664 -8.922 0.596 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.765 -9.474 1.844 1.00 0.00 H new ATOM 164 N TYR A 10 3.731 -9.315 -0.181 1.00 0.00 N ATOM 165 CA TYR A 10 2.764 -9.554 -1.246 1.00 0.00 C ATOM 166 C TYR A 10 3.453 -9.619 -2.605 1.00 0.00 C ATOM 167 O TYR A 10 4.419 -8.898 -2.858 1.00 0.00 O ATOM 168 CB TYR A 10 1.700 -8.455 -1.256 1.00 0.00 C ATOM 169 CG TYR A 10 0.541 -8.741 -2.185 1.00 0.00 C ATOM 170 CD1 TYR A 10 -0.422 -9.685 -1.854 1.00 0.00 C ATOM 171 CD2 TYR A 10 0.411 -8.067 -3.394 1.00 0.00 C ATOM 172 CE1 TYR A 10 -1.482 -9.950 -2.701 1.00 0.00 C ATOM 173 CE2 TYR A 10 -0.646 -8.326 -4.245 1.00 0.00 C ATOM 174 CZ TYR A 10 -1.590 -9.268 -3.894 1.00 0.00 C ATOM 175 OH TYR A 10 -2.644 -9.529 -4.740 1.00 0.00 O ATOM 0 H TYR A 10 4.519 -8.726 -0.450 1.00 0.00 H new ATOM 0 HA TYR A 10 2.285 -10.514 -1.055 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.319 -8.321 -0.244 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.165 -7.514 -1.548 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.342 -10.221 -0.920 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.148 -7.329 -3.672 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.222 -10.688 -2.429 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.733 -7.793 -5.181 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.572 -8.963 -5.536 1.00 0.00 H new ATOM 185 N ILE A 11 2.950 -10.486 -3.477 1.00 0.00 N ATOM 186 CA ILE A 11 3.515 -10.645 -4.811 1.00 0.00 C ATOM 187 C ILE A 11 2.537 -10.161 -5.881 1.00 0.00 C ATOM 188 O ILE A 11 1.534 -10.820 -6.156 1.00 0.00 O ATOM 189 CB ILE A 11 3.879 -12.116 -5.097 1.00 0.00 C ATOM 190 CG1 ILE A 11 4.582 -12.737 -3.888 1.00 0.00 C ATOM 191 CG2 ILE A 11 4.758 -12.214 -6.335 1.00 0.00 C ATOM 192 CD1 ILE A 11 5.847 -12.011 -3.485 1.00 0.00 C ATOM 0 H ILE A 11 2.151 -11.090 -3.283 1.00 0.00 H new ATOM 0 HA ILE A 11 4.421 -10.040 -4.845 1.00 0.00 H new ATOM 0 HB ILE A 11 2.960 -12.671 -5.283 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.893 -12.747 -3.043 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.825 -13.775 -4.113 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.006 -13.259 -6.523 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.224 -11.807 -7.194 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.675 -11.646 -6.176 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.292 -12.506 -2.622 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.554 -12.024 -4.315 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.608 -10.979 -3.228 1.00 0.00 H new ATOM 204 N PRO A 12 2.812 -8.999 -6.502 1.00 0.00 N ATOM 205 CA PRO A 12 1.944 -8.438 -7.540 1.00 0.00 C ATOM 206 C PRO A 12 2.071 -9.177 -8.867 1.00 0.00 C ATOM 207 O PRO A 12 1.072 -9.507 -9.506 1.00 0.00 O ATOM 208 CB PRO A 12 2.443 -7.000 -7.677 1.00 0.00 C ATOM 209 CG PRO A 12 3.878 -7.060 -7.284 1.00 0.00 C ATOM 210 CD PRO A 12 3.983 -8.139 -6.238 1.00 0.00 C ATOM 0 HA PRO A 12 0.889 -8.515 -7.275 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.327 -6.636 -8.698 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.883 -6.323 -7.031 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.508 -7.289 -8.144 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.214 -6.101 -6.889 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.916 -8.695 -6.329 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.956 -7.724 -5.231 1.00 0.00 H new ATOM 218 N GLN A 13 3.307 -9.432 -9.273 1.00 0.00 N ATOM 219 CA GLN A 13 3.576 -10.132 -10.525 1.00 0.00 C ATOM 220 C GLN A 13 2.895 -9.438 -11.702 1.00 0.00 C ATOM 221 O GLN A 13 2.567 -10.073 -12.704 1.00 0.00 O ATOM 222 CB GLN A 13 3.102 -11.584 -10.432 1.00 0.00 C ATOM 223 CG GLN A 13 3.999 -12.463 -9.577 1.00 0.00 C ATOM 224 CD GLN A 13 5.141 -13.072 -10.366 1.00 0.00 C ATOM 225 OE1 GLN A 13 4.997 -13.387 -11.547 1.00 0.00 O ATOM 226 NE2 GLN A 13 6.286 -13.243 -9.714 1.00 0.00 N ATOM 0 H GLN A 13 4.143 -9.164 -8.753 1.00 0.00 H new ATOM 0 HA GLN A 13 4.653 -10.115 -10.694 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.092 -11.602 -10.022 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.046 -12.004 -11.436 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.404 -11.872 -8.756 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.403 -13.260 -9.133 1.00 0.00 H new ATOM 0 HE21 GLN A 13 6.361 -12.968 -8.735 1.00 0.00 H new ATOM 0 HE22 GLN A 13 7.090 -13.650 -10.193 1.00 0.00 H new ATOM 235 N ASN A 14 2.685 -8.131 -11.574 1.00 0.00 N ATOM 236 CA ASN A 14 2.043 -7.354 -12.629 1.00 0.00 C ATOM 237 C ASN A 14 2.336 -5.866 -12.463 1.00 0.00 C ATOM 238 O ASN A 14 2.563 -5.387 -11.352 1.00 0.00 O ATOM 239 CB ASN A 14 0.531 -7.595 -12.619 1.00 0.00 C ATOM 240 CG ASN A 14 -0.014 -7.901 -14.000 1.00 0.00 C ATOM 241 OD1 ASN A 14 0.305 -8.933 -14.591 1.00 0.00 O ATOM 242 ND2 ASN A 14 -0.842 -7.004 -14.522 1.00 0.00 N ATOM 0 H ASN A 14 2.950 -7.589 -10.752 1.00 0.00 H new ATOM 0 HA ASN A 14 2.449 -7.680 -13.587 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.302 -8.424 -11.949 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.028 -6.714 -12.220 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.241 -7.156 -15.448 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.079 -6.162 -13.997 1.00 0.00 H new ATOM 249 N GLU A 15 2.327 -5.139 -13.576 1.00 0.00 N ATOM 250 CA GLU A 15 2.589 -3.704 -13.553 1.00 0.00 C ATOM 251 C GLU A 15 1.488 -2.964 -12.802 1.00 0.00 C ATOM 252 O GLU A 15 1.736 -1.941 -12.164 1.00 0.00 O ATOM 253 CB GLU A 15 2.707 -3.164 -14.981 1.00 0.00 C ATOM 254 CG GLU A 15 4.107 -2.691 -15.338 1.00 0.00 C ATOM 255 CD GLU A 15 4.170 -1.200 -15.605 1.00 0.00 C ATOM 256 OE1 GLU A 15 3.169 -0.643 -16.105 1.00 0.00 O ATOM 257 OE2 GLU A 15 5.220 -0.588 -15.316 1.00 0.00 O ATOM 0 H GLU A 15 2.141 -5.519 -14.504 1.00 0.00 H new ATOM 0 HA GLU A 15 3.532 -3.538 -13.032 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.406 -3.943 -15.681 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.010 -2.336 -15.106 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.789 -2.939 -14.524 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.454 -3.229 -16.220 1.00 0.00 H new ATOM 264 N ASP A 16 0.269 -3.489 -12.881 1.00 0.00 N ATOM 265 CA ASP A 16 -0.872 -2.879 -12.208 1.00 0.00 C ATOM 266 C ASP A 16 -0.797 -3.102 -10.701 1.00 0.00 C ATOM 267 O ASP A 16 -1.292 -2.290 -9.919 1.00 0.00 O ATOM 268 CB ASP A 16 -2.179 -3.453 -12.756 1.00 0.00 C ATOM 269 CG ASP A 16 -3.296 -2.428 -12.776 1.00 0.00 C ATOM 270 OD1 ASP A 16 -3.300 -1.572 -13.685 1.00 0.00 O ATOM 271 OD2 ASP A 16 -4.167 -2.482 -11.882 1.00 0.00 O ATOM 0 H ASP A 16 0.046 -4.336 -13.405 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.845 -1.806 -12.400 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.013 -3.826 -13.767 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.482 -4.305 -12.147 1.00 0.00 H new ATOM 276 N GLU A 17 -0.177 -4.207 -10.300 1.00 0.00 N ATOM 277 CA GLU A 17 -0.039 -4.537 -8.886 1.00 0.00 C ATOM 278 C GLU A 17 1.341 -4.147 -8.368 1.00 0.00 C ATOM 279 O GLU A 17 2.349 -4.341 -9.049 1.00 0.00 O ATOM 280 CB GLU A 17 -0.280 -6.031 -8.664 1.00 0.00 C ATOM 281 CG GLU A 17 -1.691 -6.476 -9.012 1.00 0.00 C ATOM 282 CD GLU A 17 -1.814 -7.983 -9.134 1.00 0.00 C ATOM 283 OE1 GLU A 17 -1.526 -8.515 -10.226 1.00 0.00 O ATOM 284 OE2 GLU A 17 -2.198 -8.630 -8.137 1.00 0.00 O ATOM 0 H GLU A 17 0.238 -4.889 -10.934 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.787 -3.970 -8.331 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.430 -6.599 -9.265 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.078 -6.272 -7.620 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.380 -6.120 -8.246 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.993 -6.013 -9.952 1.00 0.00 H new ATOM 291 N LEU A 18 1.379 -3.595 -7.160 1.00 0.00 N ATOM 292 CA LEU A 18 2.634 -3.176 -6.549 1.00 0.00 C ATOM 293 C LEU A 18 3.150 -4.237 -5.582 1.00 0.00 C ATOM 294 O LEU A 18 2.407 -5.126 -5.168 1.00 0.00 O ATOM 295 CB LEU A 18 2.445 -1.849 -5.811 1.00 0.00 C ATOM 296 CG LEU A 18 3.717 -1.017 -5.635 1.00 0.00 C ATOM 297 CD1 LEU A 18 3.411 0.466 -5.783 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.354 -1.298 -4.282 1.00 0.00 C ATOM 0 H LEU A 18 0.554 -3.427 -6.584 1.00 0.00 H new ATOM 0 HA LEU A 18 3.370 -3.044 -7.342 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.711 -1.252 -6.352 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.025 -2.055 -4.826 1.00 0.00 H new ATOM 0 HG LEU A 18 4.424 -1.301 -6.415 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.328 1.041 -5.655 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.000 0.655 -6.774 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.686 0.765 -5.026 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.257 -0.698 -4.174 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.651 -1.042 -3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.610 -2.355 -4.213 1.00 0.00 H new ATOM 310 N GLU A 19 4.426 -4.135 -5.225 1.00 0.00 N ATOM 311 CA GLU A 19 5.038 -5.086 -4.306 1.00 0.00 C ATOM 312 C GLU A 19 4.949 -4.584 -2.868 1.00 0.00 C ATOM 313 O GLU A 19 5.653 -3.652 -2.480 1.00 0.00 O ATOM 314 CB GLU A 19 6.501 -5.329 -4.687 1.00 0.00 C ATOM 315 CG GLU A 19 6.877 -6.801 -4.749 1.00 0.00 C ATOM 316 CD GLU A 19 8.330 -7.046 -4.391 1.00 0.00 C ATOM 317 OE1 GLU A 19 9.209 -6.401 -5.000 1.00 0.00 O ATOM 318 OE2 GLU A 19 8.589 -7.884 -3.501 1.00 0.00 O ATOM 0 H GLU A 19 5.055 -3.404 -5.558 1.00 0.00 H new ATOM 0 HA GLU A 19 4.492 -6.027 -4.378 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.696 -4.872 -5.657 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.144 -4.828 -3.963 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.239 -7.364 -4.068 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.685 -7.180 -5.753 1.00 0.00 H new ATOM 325 N LEU A 20 4.078 -5.209 -2.082 1.00 0.00 N ATOM 326 CA LEU A 20 3.896 -4.827 -0.687 1.00 0.00 C ATOM 327 C LEU A 20 4.778 -5.671 0.227 1.00 0.00 C ATOM 328 O LEU A 20 4.402 -6.775 0.621 1.00 0.00 O ATOM 329 CB LEU A 20 2.428 -4.981 -0.280 1.00 0.00 C ATOM 330 CG LEU A 20 1.422 -4.303 -1.213 1.00 0.00 C ATOM 331 CD1 LEU A 20 0.816 -5.317 -2.172 1.00 0.00 C ATOM 332 CD2 LEU A 20 0.331 -3.610 -0.410 1.00 0.00 C ATOM 0 H LEU A 20 3.487 -5.982 -2.388 1.00 0.00 H new ATOM 0 HA LEU A 20 4.188 -3.782 -0.582 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.191 -6.044 -0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.301 -4.575 0.723 1.00 0.00 H new ATOM 0 HG LEU A 20 1.950 -3.549 -1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.103 -4.817 -2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.606 -5.768 -2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.304 -6.094 -1.604 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.375 -3.134 -1.091 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.193 -4.345 0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.779 -2.854 0.236 1.00 0.00 H new ATOM 344 N LYS A 21 5.952 -5.145 0.561 1.00 0.00 N ATOM 345 CA LYS A 21 6.886 -5.852 1.430 1.00 0.00 C ATOM 346 C LYS A 21 6.782 -5.346 2.865 1.00 0.00 C ATOM 347 O LYS A 21 6.400 -4.200 3.103 1.00 0.00 O ATOM 348 CB LYS A 21 8.318 -5.683 0.919 1.00 0.00 C ATOM 349 CG LYS A 21 8.608 -6.468 -0.350 1.00 0.00 C ATOM 350 CD LYS A 21 9.642 -5.767 -1.216 1.00 0.00 C ATOM 351 CE LYS A 21 9.077 -4.504 -1.844 1.00 0.00 C ATOM 352 NZ LYS A 21 9.781 -4.149 -3.107 1.00 0.00 N ATOM 0 H LYS A 21 6.279 -4.233 0.243 1.00 0.00 H new ATOM 0 HA LYS A 21 6.626 -6.911 1.417 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.506 -4.626 0.733 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.012 -5.998 1.698 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.966 -7.464 -0.089 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.686 -6.599 -0.917 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.514 -5.516 -0.612 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.981 -6.444 -2.000 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.015 -4.643 -2.047 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.161 -3.678 -1.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.400 -3.255 -3.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.798 -4.041 -2.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.637 -4.903 -3.809 1.00 0.00 H new ATOM 366 N VAL A 22 7.124 -6.207 3.820 1.00 0.00 N ATOM 367 CA VAL A 22 7.068 -5.844 5.231 1.00 0.00 C ATOM 368 C VAL A 22 7.940 -4.627 5.521 1.00 0.00 C ATOM 369 O VAL A 22 9.115 -4.590 5.154 1.00 0.00 O ATOM 370 CB VAL A 22 7.522 -7.009 6.130 1.00 0.00 C ATOM 371 CG1 VAL A 22 7.277 -6.682 7.595 1.00 0.00 C ATOM 372 CG2 VAL A 22 6.810 -8.295 5.738 1.00 0.00 C ATOM 0 H VAL A 22 7.442 -7.159 3.642 1.00 0.00 H new ATOM 0 HA VAL A 22 6.028 -5.606 5.454 1.00 0.00 H new ATOM 0 HB VAL A 22 8.593 -7.155 5.989 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.604 -7.517 8.214 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.838 -5.788 7.867 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.213 -6.506 7.756 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.144 -9.107 6.384 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.734 -8.163 5.848 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.042 -8.538 4.701 1.00 0.00 H new ATOM 382 N GLY A 23 7.357 -3.631 6.181 1.00 0.00 N ATOM 383 CA GLY A 23 8.096 -2.426 6.507 1.00 0.00 C ATOM 384 C GLY A 23 8.015 -1.372 5.417 1.00 0.00 C ATOM 385 O GLY A 23 8.502 -0.255 5.591 1.00 0.00 O ATOM 0 H GLY A 23 6.387 -3.637 6.495 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.711 -2.010 7.438 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.141 -2.682 6.681 1.00 0.00 H new ATOM 389 N ASP A 24 7.403 -1.724 4.289 1.00 0.00 N ATOM 390 CA ASP A 24 7.267 -0.796 3.173 1.00 0.00 C ATOM 391 C ASP A 24 6.025 0.074 3.334 1.00 0.00 C ATOM 392 O ASP A 24 4.924 -0.433 3.547 1.00 0.00 O ATOM 393 CB ASP A 24 7.199 -1.562 1.851 1.00 0.00 C ATOM 394 CG ASP A 24 7.563 -0.696 0.661 1.00 0.00 C ATOM 395 OD1 ASP A 24 8.220 0.347 0.865 1.00 0.00 O ATOM 396 OD2 ASP A 24 7.192 -1.060 -0.474 1.00 0.00 O ATOM 0 H ASP A 24 6.994 -2.644 4.125 1.00 0.00 H new ATOM 0 HA ASP A 24 8.143 -0.147 3.165 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.874 -2.417 1.895 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.192 -1.957 1.715 1.00 0.00 H new ATOM 401 N ILE A 25 6.209 1.386 3.228 1.00 0.00 N ATOM 402 CA ILE A 25 5.102 2.325 3.359 1.00 0.00 C ATOM 403 C ILE A 25 4.740 2.941 2.011 1.00 0.00 C ATOM 404 O ILE A 25 5.588 3.528 1.339 1.00 0.00 O ATOM 405 CB ILE A 25 5.432 3.452 4.360 1.00 0.00 C ATOM 406 CG1 ILE A 25 4.195 4.314 4.618 1.00 0.00 C ATOM 407 CG2 ILE A 25 6.583 4.306 3.846 1.00 0.00 C ATOM 408 CD1 ILE A 25 3.980 4.640 6.080 1.00 0.00 C ATOM 0 H ILE A 25 7.114 1.822 3.052 1.00 0.00 H new ATOM 0 HA ILE A 25 4.250 1.758 3.735 1.00 0.00 H new ATOM 0 HB ILE A 25 5.739 2.998 5.302 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.286 5.244 4.056 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.315 3.796 4.236 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.800 5.095 4.566 1.00 0.00 H new ATOM 0 HG22 ILE A 25 7.467 3.683 3.713 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.306 4.753 2.891 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.086 5.254 6.188 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.857 3.716 6.645 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.843 5.186 6.462 1.00 0.00 H new ATOM 420 N ILE A 26 3.477 2.803 1.623 1.00 0.00 N ATOM 421 CA ILE A 26 3.004 3.347 0.356 1.00 0.00 C ATOM 422 C ILE A 26 2.062 4.524 0.583 1.00 0.00 C ATOM 423 O ILE A 26 1.207 4.486 1.468 1.00 0.00 O ATOM 424 CB ILE A 26 2.278 2.275 -0.481 1.00 0.00 C ATOM 425 CG1 ILE A 26 3.126 1.004 -0.573 1.00 0.00 C ATOM 426 CG2 ILE A 26 1.962 2.813 -1.869 1.00 0.00 C ATOM 427 CD1 ILE A 26 2.549 -0.164 0.196 1.00 0.00 C ATOM 0 H ILE A 26 2.763 2.319 2.168 1.00 0.00 H new ATOM 0 HA ILE A 26 3.883 3.688 -0.191 1.00 0.00 H new ATOM 0 HB ILE A 26 1.339 2.024 0.012 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.231 0.722 -1.621 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.127 1.217 -0.198 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.450 2.045 -2.449 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.321 3.690 -1.782 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.889 3.089 -2.372 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.202 -1.030 0.086 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.469 0.099 1.251 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.560 -0.403 -0.194 1.00 0.00 H new ATOM 439 N ASP A 27 2.226 5.569 -0.221 1.00 0.00 N ATOM 440 CA ASP A 27 1.390 6.758 -0.107 1.00 0.00 C ATOM 441 C ASP A 27 0.069 6.567 -0.844 1.00 0.00 C ATOM 442 O ASP A 27 0.048 6.349 -2.055 1.00 0.00 O ATOM 443 CB ASP A 27 2.125 7.979 -0.663 1.00 0.00 C ATOM 444 CG ASP A 27 3.478 8.187 -0.011 1.00 0.00 C ATOM 445 OD1 ASP A 27 4.366 7.329 -0.200 1.00 0.00 O ATOM 446 OD2 ASP A 27 3.649 9.207 0.689 1.00 0.00 O ATOM 0 H ASP A 27 2.930 5.617 -0.958 1.00 0.00 H new ATOM 0 HA ASP A 27 1.176 6.921 0.949 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.258 7.861 -1.738 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.512 8.868 -0.513 1.00 0.00 H new ATOM 451 N ILE A 28 -1.032 6.652 -0.105 1.00 0.00 N ATOM 452 CA ILE A 28 -2.358 6.492 -0.692 1.00 0.00 C ATOM 453 C ILE A 28 -2.879 7.817 -1.236 1.00 0.00 C ATOM 454 O ILE A 28 -3.077 8.773 -0.486 1.00 0.00 O ATOM 455 CB ILE A 28 -3.377 5.930 0.323 1.00 0.00 C ATOM 456 CG1 ILE A 28 -3.206 6.598 1.696 1.00 0.00 C ATOM 457 CG2 ILE A 28 -3.245 4.415 0.424 1.00 0.00 C ATOM 458 CD1 ILE A 28 -2.296 5.844 2.647 1.00 0.00 C ATOM 0 H ILE A 28 -1.033 6.830 0.899 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.250 5.778 -1.508 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.382 6.159 -0.032 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.809 7.603 1.551 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.187 6.706 2.159 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.970 4.034 1.143 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.433 3.968 -0.552 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.238 4.159 0.753 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.230 6.383 3.592 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.701 4.848 2.825 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.302 5.758 2.208 1.00 0.00 H new ATOM 470 N ASN A 29 -3.096 7.867 -2.546 1.00 0.00 N ATOM 471 CA ASN A 29 -3.593 9.076 -3.193 1.00 0.00 C ATOM 472 C ASN A 29 -5.116 9.066 -3.272 1.00 0.00 C ATOM 473 O ASN A 29 -5.770 10.063 -2.965 1.00 0.00 O ATOM 474 CB ASN A 29 -2.999 9.207 -4.597 1.00 0.00 C ATOM 475 CG ASN A 29 -3.016 10.636 -5.102 1.00 0.00 C ATOM 476 OD1 ASN A 29 -2.117 11.423 -4.802 1.00 0.00 O ATOM 477 ND2 ASN A 29 -4.041 10.980 -5.873 1.00 0.00 N ATOM 0 H ASN A 29 -2.936 7.085 -3.180 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.285 9.932 -2.593 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.973 8.840 -4.590 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.559 8.575 -5.286 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -4.106 11.929 -6.242 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.764 10.296 -6.096 1.00 0.00 H new ATOM 484 N GLU A 30 -5.675 7.934 -3.686 1.00 0.00 N ATOM 485 CA GLU A 30 -7.122 7.797 -3.806 1.00 0.00 C ATOM 486 C GLU A 30 -7.541 6.332 -3.730 1.00 0.00 C ATOM 487 O GLU A 30 -6.714 5.431 -3.870 1.00 0.00 O ATOM 488 CB GLU A 30 -7.605 8.409 -5.123 1.00 0.00 C ATOM 489 CG GLU A 30 -6.817 7.940 -6.336 1.00 0.00 C ATOM 490 CD GLU A 30 -7.629 7.039 -7.247 1.00 0.00 C ATOM 491 OE1 GLU A 30 -8.841 7.295 -7.409 1.00 0.00 O ATOM 492 OE2 GLU A 30 -7.053 6.078 -7.799 1.00 0.00 O ATOM 0 H GLU A 30 -5.149 7.099 -3.944 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.581 8.330 -2.974 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.657 8.161 -5.265 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.540 9.495 -5.055 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.475 8.808 -6.900 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.927 7.406 -6.002 1.00 0.00 H new ATOM 499 N GLU A 31 -8.832 6.104 -3.510 1.00 0.00 N ATOM 500 CA GLU A 31 -9.365 4.750 -3.417 1.00 0.00 C ATOM 501 C GLU A 31 -10.194 4.408 -4.651 1.00 0.00 C ATOM 502 O GLU A 31 -11.175 5.085 -4.957 1.00 0.00 O ATOM 503 CB GLU A 31 -10.219 4.601 -2.157 1.00 0.00 C ATOM 504 CG GLU A 31 -9.528 5.084 -0.892 1.00 0.00 C ATOM 505 CD GLU A 31 -10.012 6.450 -0.449 1.00 0.00 C ATOM 506 OE1 GLU A 31 -9.580 7.457 -1.049 1.00 0.00 O ATOM 507 OE2 GLU A 31 -10.823 6.514 0.499 1.00 0.00 O ATOM 0 H GLU A 31 -9.528 6.840 -3.393 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.525 4.058 -3.361 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.147 5.158 -2.289 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.491 3.553 -2.035 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.700 4.365 -0.091 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.452 5.121 -1.062 1.00 0.00 H new ATOM 514 N VAL A 32 -9.791 3.357 -5.357 1.00 0.00 N ATOM 515 CA VAL A 32 -10.498 2.930 -6.559 1.00 0.00 C ATOM 516 C VAL A 32 -11.870 2.357 -6.220 1.00 0.00 C ATOM 517 O VAL A 32 -12.853 2.628 -6.910 1.00 0.00 O ATOM 518 CB VAL A 32 -9.692 1.878 -7.347 1.00 0.00 C ATOM 519 CG1 VAL A 32 -8.444 2.505 -7.951 1.00 0.00 C ATOM 520 CG2 VAL A 32 -9.327 0.699 -6.457 1.00 0.00 C ATOM 0 H VAL A 32 -8.980 2.786 -5.118 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.623 3.817 -7.180 1.00 0.00 H new ATOM 0 HB VAL A 32 -10.316 1.507 -8.160 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.887 1.748 -8.503 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.732 3.310 -8.628 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.817 2.907 -7.155 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.759 -0.030 -7.034 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.723 1.049 -5.619 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.237 0.233 -6.079 1.00 0.00 H new ATOM 530 N GLU A 33 -11.931 1.564 -5.154 1.00 0.00 N ATOM 531 CA GLU A 33 -13.185 0.952 -4.724 1.00 0.00 C ATOM 532 C GLU A 33 -12.964 0.049 -3.515 1.00 0.00 C ATOM 533 O GLU A 33 -11.848 -0.065 -3.008 1.00 0.00 O ATOM 534 CB GLU A 33 -13.807 0.146 -5.867 1.00 0.00 C ATOM 535 CG GLU A 33 -12.851 -0.855 -6.497 1.00 0.00 C ATOM 536 CD GLU A 33 -13.567 -2.060 -7.075 1.00 0.00 C ATOM 537 OE1 GLU A 33 -14.152 -1.933 -8.172 1.00 0.00 O ATOM 538 OE2 GLU A 33 -13.543 -3.130 -6.432 1.00 0.00 O ATOM 0 H GLU A 33 -11.127 1.330 -4.572 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.868 1.752 -4.440 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -14.681 -0.386 -5.492 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.158 0.834 -6.636 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.282 -0.362 -7.285 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.134 -1.188 -5.747 1.00 0.00 H new ATOM 545 N GLU A 34 -14.036 -0.592 -3.059 1.00 0.00 N ATOM 546 CA GLU A 34 -13.960 -1.487 -1.911 1.00 0.00 C ATOM 547 C GLU A 34 -13.205 -2.763 -2.267 1.00 0.00 C ATOM 548 O GLU A 34 -13.637 -3.534 -3.124 1.00 0.00 O ATOM 549 CB GLU A 34 -15.366 -1.833 -1.416 1.00 0.00 C ATOM 550 CG GLU A 34 -16.112 -0.647 -0.827 1.00 0.00 C ATOM 551 CD GLU A 34 -17.616 -0.776 -0.969 1.00 0.00 C ATOM 552 OE1 GLU A 34 -18.130 -1.907 -0.841 1.00 0.00 O ATOM 553 OE2 GLU A 34 -18.280 0.255 -1.208 1.00 0.00 O ATOM 0 H GLU A 34 -14.967 -0.508 -3.467 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.418 -0.975 -1.116 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.944 -2.240 -2.245 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.294 -2.617 -0.662 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -15.857 -0.550 0.228 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -15.781 0.267 -1.320 1.00 0.00 H new ATOM 560 N GLY A 35 -12.073 -2.978 -1.606 1.00 0.00 N ATOM 561 CA GLY A 35 -11.273 -4.160 -1.868 1.00 0.00 C ATOM 562 C GLY A 35 -9.948 -3.827 -2.525 1.00 0.00 C ATOM 563 O GLY A 35 -8.971 -4.562 -2.377 1.00 0.00 O ATOM 0 H GLY A 35 -11.695 -2.354 -0.893 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.089 -4.686 -0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.833 -4.840 -2.510 1.00 0.00 H new ATOM 567 N TRP A 36 -9.915 -2.716 -3.254 1.00 0.00 N ATOM 568 CA TRP A 36 -8.701 -2.285 -3.936 1.00 0.00 C ATOM 569 C TRP A 36 -8.442 -0.801 -3.698 1.00 0.00 C ATOM 570 O TRP A 36 -9.356 0.020 -3.781 1.00 0.00 O ATOM 571 CB TRP A 36 -8.809 -2.561 -5.437 1.00 0.00 C ATOM 572 CG TRP A 36 -9.250 -3.957 -5.754 1.00 0.00 C ATOM 573 CD1 TRP A 36 -10.475 -4.345 -6.216 1.00 0.00 C ATOM 574 CD2 TRP A 36 -8.470 -5.153 -5.632 1.00 0.00 C ATOM 575 NE1 TRP A 36 -10.505 -5.708 -6.389 1.00 0.00 N ATOM 576 CE2 TRP A 36 -9.286 -6.226 -6.037 1.00 0.00 C ATOM 577 CE3 TRP A 36 -7.161 -5.420 -5.220 1.00 0.00 C ATOM 578 CZ2 TRP A 36 -8.835 -7.544 -6.043 1.00 0.00 C ATOM 579 CZ3 TRP A 36 -6.715 -6.728 -5.226 1.00 0.00 C ATOM 580 CH2 TRP A 36 -7.549 -7.776 -5.635 1.00 0.00 C ATOM 0 H TRP A 36 -10.716 -2.098 -3.387 1.00 0.00 H new ATOM 0 HA TRP A 36 -7.864 -2.852 -3.529 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -9.513 -1.856 -5.879 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.841 -2.379 -5.903 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -11.300 -3.678 -6.416 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -11.304 -6.246 -6.725 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -6.510 -4.619 -4.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -9.477 -8.354 -6.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.706 -6.946 -4.910 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -7.170 -8.787 -5.628 1.00 0.00 H new ATOM 591 N TRP A 37 -7.192 -0.464 -3.399 1.00 0.00 N ATOM 592 CA TRP A 37 -6.813 0.921 -3.146 1.00 0.00 C ATOM 593 C TRP A 37 -5.696 1.360 -4.088 1.00 0.00 C ATOM 594 O TRP A 37 -5.006 0.529 -4.678 1.00 0.00 O ATOM 595 CB TRP A 37 -6.366 1.092 -1.693 1.00 0.00 C ATOM 596 CG TRP A 37 -7.488 1.437 -0.762 1.00 0.00 C ATOM 597 CD1 TRP A 37 -8.770 0.973 -0.817 1.00 0.00 C ATOM 598 CD2 TRP A 37 -7.428 2.323 0.362 1.00 0.00 C ATOM 599 NE1 TRP A 37 -9.512 1.514 0.205 1.00 0.00 N ATOM 600 CE2 TRP A 37 -8.710 2.346 0.943 1.00 0.00 C ATOM 601 CE3 TRP A 37 -6.415 3.097 0.936 1.00 0.00 C ATOM 602 CZ2 TRP A 37 -9.005 3.113 2.067 1.00 0.00 C ATOM 603 CZ3 TRP A 37 -6.709 3.858 2.052 1.00 0.00 C ATOM 604 CH2 TRP A 37 -7.995 3.861 2.607 1.00 0.00 C ATOM 0 H TRP A 37 -6.424 -1.131 -3.326 1.00 0.00 H new ATOM 0 HA TRP A 37 -7.685 1.549 -3.327 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -5.894 0.170 -1.355 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -5.609 1.874 -1.643 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -9.147 0.281 -1.556 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -10.498 1.327 0.385 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.420 3.100 0.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -9.996 3.117 2.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.934 4.460 2.503 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -8.193 4.466 3.479 1.00 0.00 H new ATOM 615 N SER A 38 -5.524 2.671 -4.224 1.00 0.00 N ATOM 616 CA SER A 38 -4.490 3.220 -5.094 1.00 0.00 C ATOM 617 C SER A 38 -3.397 3.900 -4.277 1.00 0.00 C ATOM 618 O SER A 38 -3.681 4.702 -3.387 1.00 0.00 O ATOM 619 CB SER A 38 -5.101 4.217 -6.081 1.00 0.00 C ATOM 620 OG SER A 38 -4.501 4.102 -7.360 1.00 0.00 O ATOM 0 H SER A 38 -6.087 3.373 -3.743 1.00 0.00 H new ATOM 0 HA SER A 38 -4.043 2.396 -5.651 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.174 4.042 -6.162 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.971 5.232 -5.705 1.00 0.00 H new ATOM 0 HG SER A 38 -5.008 4.634 -8.008 1.00 0.00 H new ATOM 626 N GLY A 39 -2.146 3.574 -4.585 1.00 0.00 N ATOM 627 CA GLY A 39 -1.029 4.162 -3.869 1.00 0.00 C ATOM 628 C GLY A 39 0.086 4.604 -4.796 1.00 0.00 C ATOM 629 O GLY A 39 -0.036 4.507 -6.017 1.00 0.00 O ATOM 0 H GLY A 39 -1.886 2.913 -5.317 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.380 5.019 -3.294 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.638 3.438 -3.155 1.00 0.00 H new ATOM 633 N THR A 40 1.178 5.090 -4.214 1.00 0.00 N ATOM 634 CA THR A 40 2.320 5.549 -4.995 1.00 0.00 C ATOM 635 C THR A 40 3.562 5.675 -4.119 1.00 0.00 C ATOM 636 O THR A 40 3.645 6.558 -3.265 1.00 0.00 O ATOM 637 CB THR A 40 2.008 6.894 -5.653 1.00 0.00 C ATOM 638 OG1 THR A 40 0.739 6.861 -6.283 1.00 0.00 O ATOM 639 CG2 THR A 40 3.027 7.301 -6.696 1.00 0.00 C ATOM 0 H THR A 40 1.296 5.176 -3.204 1.00 0.00 H new ATOM 0 HA THR A 40 2.518 4.810 -5.772 1.00 0.00 H new ATOM 0 HB THR A 40 2.029 7.624 -4.843 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.612 5.992 -6.717 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.746 8.264 -7.123 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.010 7.383 -6.232 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.060 6.550 -7.485 1.00 0.00 H new ATOM 647 N LEU A 41 4.525 4.785 -4.335 1.00 0.00 N ATOM 648 CA LEU A 41 5.763 4.797 -3.565 1.00 0.00 C ATOM 649 C LEU A 41 6.590 6.037 -3.886 1.00 0.00 C ATOM 650 O LEU A 41 6.832 6.876 -3.018 1.00 0.00 O ATOM 651 CB LEU A 41 6.579 3.536 -3.854 1.00 0.00 C ATOM 652 CG LEU A 41 7.603 3.166 -2.776 1.00 0.00 C ATOM 653 CD1 LEU A 41 7.247 1.835 -2.132 1.00 0.00 C ATOM 654 CD2 LEU A 41 9.006 3.115 -3.365 1.00 0.00 C ATOM 0 H LEU A 41 4.472 4.047 -5.037 1.00 0.00 H new ATOM 0 HA LEU A 41 5.504 4.819 -2.506 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.893 2.699 -3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.103 3.669 -4.801 1.00 0.00 H new ATOM 0 HG LEU A 41 7.581 3.937 -2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.986 1.590 -1.369 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.261 1.905 -1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.238 1.054 -2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.719 2.851 -2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.041 2.367 -4.157 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.264 4.091 -3.776 1.00 0.00 H new ATOM 666 N ASN A 42 7.021 6.147 -5.138 1.00 0.00 N ATOM 667 CA ASN A 42 7.821 7.285 -5.575 1.00 0.00 C ATOM 668 C ASN A 42 7.462 7.683 -7.003 1.00 0.00 C ATOM 669 O ASN A 42 7.005 8.799 -7.250 1.00 0.00 O ATOM 670 CB ASN A 42 9.312 6.953 -5.482 1.00 0.00 C ATOM 671 CG ASN A 42 9.956 7.532 -4.237 1.00 0.00 C ATOM 672 OD1 ASN A 42 10.664 8.537 -4.301 1.00 0.00 O ATOM 673 ND2 ASN A 42 9.713 6.899 -3.095 1.00 0.00 N ATOM 0 H ASN A 42 6.829 5.461 -5.868 1.00 0.00 H new ATOM 0 HA ASN A 42 7.604 8.126 -4.917 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.441 5.871 -5.485 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.823 7.338 -6.365 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.119 7.243 -2.225 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.120 6.069 -3.088 1.00 0.00 H new ATOM 680 N ASN A 43 7.670 6.763 -7.939 1.00 0.00 N ATOM 681 CA ASN A 43 7.366 7.018 -9.342 1.00 0.00 C ATOM 682 C ASN A 43 6.684 5.811 -9.983 1.00 0.00 C ATOM 683 O ASN A 43 6.716 5.645 -11.202 1.00 0.00 O ATOM 684 CB ASN A 43 8.645 7.364 -10.107 1.00 0.00 C ATOM 685 CG ASN A 43 8.447 8.510 -11.079 1.00 0.00 C ATOM 686 OD1 ASN A 43 7.363 8.689 -11.634 1.00 0.00 O ATOM 687 ND2 ASN A 43 9.498 9.294 -11.292 1.00 0.00 N ATOM 0 H ASN A 43 8.048 5.834 -7.751 1.00 0.00 H new ATOM 0 HA ASN A 43 6.681 7.865 -9.391 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.430 7.625 -9.397 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.988 6.485 -10.652 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.425 10.081 -11.937 1.00 0.00 H new ATOM 0 HD22 ASN A 43 10.378 9.109 -10.810 1.00 0.00 H new ATOM 694 N LYS A 44 6.068 4.971 -9.155 1.00 0.00 N ATOM 695 CA LYS A 44 5.380 3.782 -9.644 1.00 0.00 C ATOM 696 C LYS A 44 3.951 3.724 -9.114 1.00 0.00 C ATOM 697 O LYS A 44 3.716 3.876 -7.915 1.00 0.00 O ATOM 698 CB LYS A 44 6.144 2.521 -9.233 1.00 0.00 C ATOM 699 CG LYS A 44 7.007 1.945 -10.344 1.00 0.00 C ATOM 700 CD LYS A 44 6.238 0.936 -11.181 1.00 0.00 C ATOM 701 CE LYS A 44 7.144 -0.178 -11.681 1.00 0.00 C ATOM 702 NZ LYS A 44 8.225 0.341 -12.565 1.00 0.00 N ATOM 0 H LYS A 44 6.032 5.093 -8.143 1.00 0.00 H new ATOM 0 HA LYS A 44 5.341 3.835 -10.732 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.776 2.752 -8.376 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.431 1.763 -8.908 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.365 2.752 -10.983 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.886 1.466 -9.912 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.429 0.510 -10.587 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.778 1.441 -12.030 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.588 -0.695 -10.830 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.550 -0.912 -12.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.758 -0.457 -12.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.805 0.899 -13.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.867 0.943 -12.011 1.00 0.00 H new ATOM 716 N LEU A 45 2.999 3.503 -10.015 1.00 0.00 N ATOM 717 CA LEU A 45 1.593 3.423 -9.638 1.00 0.00 C ATOM 718 C LEU A 45 1.101 1.980 -9.681 1.00 0.00 C ATOM 719 O LEU A 45 1.096 1.347 -10.737 1.00 0.00 O ATOM 720 CB LEU A 45 0.744 4.295 -10.566 1.00 0.00 C ATOM 721 CG LEU A 45 0.318 5.642 -9.979 1.00 0.00 C ATOM 722 CD1 LEU A 45 0.108 6.664 -11.085 1.00 0.00 C ATOM 723 CD2 LEU A 45 -0.947 5.483 -9.148 1.00 0.00 C ATOM 0 H LEU A 45 3.176 3.376 -11.011 1.00 0.00 H new ATOM 0 HA LEU A 45 1.493 3.791 -8.617 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.305 4.477 -11.483 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.151 3.738 -10.845 1.00 0.00 H new ATOM 0 HG LEU A 45 1.114 6.002 -9.328 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.195 7.616 -10.648 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.038 6.798 -11.638 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.670 6.312 -11.763 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.237 6.450 -8.738 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.750 5.101 -9.778 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.761 4.784 -8.333 1.00 0.00 H new ATOM 735 N GLY A 46 0.687 1.466 -8.527 1.00 0.00 N ATOM 736 CA GLY A 46 0.199 0.101 -8.456 1.00 0.00 C ATOM 737 C GLY A 46 -0.936 -0.059 -7.465 1.00 0.00 C ATOM 738 O GLY A 46 -0.922 0.544 -6.392 1.00 0.00 O ATOM 0 H GLY A 46 0.681 1.970 -7.640 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.139 -0.212 -9.444 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.019 -0.560 -8.175 1.00 0.00 H new ATOM 742 N LEU A 47 -1.921 -0.875 -7.824 1.00 0.00 N ATOM 743 CA LEU A 47 -3.070 -1.115 -6.958 1.00 0.00 C ATOM 744 C LEU A 47 -2.944 -2.460 -6.251 1.00 0.00 C ATOM 745 O LEU A 47 -2.311 -3.384 -6.763 1.00 0.00 O ATOM 746 CB LEU A 47 -4.366 -1.075 -7.770 1.00 0.00 C ATOM 747 CG LEU A 47 -4.444 0.041 -8.813 1.00 0.00 C ATOM 748 CD1 LEU A 47 -5.347 -0.367 -9.966 1.00 0.00 C ATOM 749 CD2 LEU A 47 -4.939 1.331 -8.175 1.00 0.00 C ATOM 0 H LEU A 47 -1.947 -1.382 -8.709 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.096 -0.327 -6.205 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.489 -2.033 -8.275 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.204 -0.967 -7.082 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.443 0.214 -9.208 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.390 0.440 -10.698 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.950 -1.265 -10.439 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.350 -0.569 -9.589 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.989 2.115 -8.931 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.931 1.171 -7.753 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.252 1.633 -7.384 1.00 0.00 H new ATOM 761 N PHE A 48 -3.549 -2.564 -5.072 1.00 0.00 N ATOM 762 CA PHE A 48 -3.502 -3.800 -4.298 1.00 0.00 C ATOM 763 C PHE A 48 -4.568 -3.806 -3.205 1.00 0.00 C ATOM 764 O PHE A 48 -5.180 -2.777 -2.916 1.00 0.00 O ATOM 765 CB PHE A 48 -2.114 -3.995 -3.678 1.00 0.00 C ATOM 766 CG PHE A 48 -1.444 -2.718 -3.247 1.00 0.00 C ATOM 767 CD1 PHE A 48 -2.185 -1.661 -2.740 1.00 0.00 C ATOM 768 CD2 PHE A 48 -0.069 -2.578 -3.347 1.00 0.00 C ATOM 769 CE1 PHE A 48 -1.566 -0.491 -2.342 1.00 0.00 C ATOM 770 CE2 PHE A 48 0.555 -1.411 -2.950 1.00 0.00 C ATOM 771 CZ PHE A 48 -0.195 -0.366 -2.447 1.00 0.00 C ATOM 0 H PHE A 48 -4.076 -1.810 -4.632 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.704 -4.627 -4.979 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.204 -4.654 -2.814 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.474 -4.502 -4.400 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.258 -1.753 -2.655 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.522 -3.392 -3.740 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.154 0.325 -1.949 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.628 -1.316 -3.033 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.290 0.547 -2.136 1.00 0.00 H new ATOM 781 N PRO A 49 -4.810 -4.974 -2.583 1.00 0.00 N ATOM 782 CA PRO A 49 -5.812 -5.113 -1.520 1.00 0.00 C ATOM 783 C PRO A 49 -5.511 -4.221 -0.319 1.00 0.00 C ATOM 784 O PRO A 49 -4.455 -4.334 0.302 1.00 0.00 O ATOM 785 CB PRO A 49 -5.718 -6.591 -1.120 1.00 0.00 C ATOM 786 CG PRO A 49 -5.065 -7.265 -2.278 1.00 0.00 C ATOM 787 CD PRO A 49 -4.133 -6.249 -2.871 1.00 0.00 C ATOM 0 HA PRO A 49 -6.803 -4.814 -1.861 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.133 -6.717 -0.209 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.705 -7.010 -0.925 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.522 -8.154 -1.957 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.805 -7.590 -3.009 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.144 -6.293 -2.415 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.997 -6.402 -3.942 1.00 0.00 H new ATOM 795 N SER A 50 -6.449 -3.337 0.003 1.00 0.00 N ATOM 796 CA SER A 50 -6.290 -2.426 1.131 1.00 0.00 C ATOM 797 C SER A 50 -6.249 -3.187 2.455 1.00 0.00 C ATOM 798 O SER A 50 -5.765 -2.671 3.462 1.00 0.00 O ATOM 799 CB SER A 50 -7.430 -1.406 1.154 1.00 0.00 C ATOM 800 OG SER A 50 -8.654 -2.018 1.520 1.00 0.00 O ATOM 0 H SER A 50 -7.329 -3.232 -0.502 1.00 0.00 H new ATOM 0 HA SER A 50 -5.342 -1.903 1.007 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.194 -0.608 1.858 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.530 -0.945 0.171 1.00 0.00 H new ATOM 0 HG SER A 50 -9.366 -1.345 1.529 1.00 0.00 H new ATOM 806 N ASN A 51 -6.764 -4.414 2.449 1.00 0.00 N ATOM 807 CA ASN A 51 -6.788 -5.238 3.652 1.00 0.00 C ATOM 808 C ASN A 51 -5.374 -5.536 4.142 1.00 0.00 C ATOM 809 O ASN A 51 -5.147 -5.705 5.340 1.00 0.00 O ATOM 810 CB ASN A 51 -7.532 -6.546 3.382 1.00 0.00 C ATOM 811 CG ASN A 51 -6.960 -7.302 2.199 1.00 0.00 C ATOM 812 OD1 ASN A 51 -5.756 -7.550 2.129 1.00 0.00 O ATOM 813 ND2 ASN A 51 -7.823 -7.674 1.260 1.00 0.00 N ATOM 0 H ASN A 51 -7.169 -4.858 1.625 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.310 -4.682 4.431 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.486 -7.177 4.270 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.585 -6.331 3.198 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.496 -8.186 0.441 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.813 -7.448 1.358 1.00 0.00 H new ATOM 820 N PHE A 52 -4.428 -5.599 3.211 1.00 0.00 N ATOM 821 CA PHE A 52 -3.039 -5.877 3.555 1.00 0.00 C ATOM 822 C PHE A 52 -2.433 -4.721 4.351 1.00 0.00 C ATOM 823 O PHE A 52 -2.371 -4.780 5.577 1.00 0.00 O ATOM 824 CB PHE A 52 -2.219 -6.136 2.288 1.00 0.00 C ATOM 825 CG PHE A 52 -1.943 -7.591 2.037 1.00 0.00 C ATOM 826 CD1 PHE A 52 -2.875 -8.385 1.389 1.00 0.00 C ATOM 827 CD2 PHE A 52 -0.750 -8.164 2.449 1.00 0.00 C ATOM 828 CE1 PHE A 52 -2.623 -9.724 1.156 1.00 0.00 C ATOM 829 CE2 PHE A 52 -0.493 -9.502 2.219 1.00 0.00 C ATOM 830 CZ PHE A 52 -1.430 -10.283 1.572 1.00 0.00 C ATOM 0 H PHE A 52 -4.598 -5.462 2.215 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.015 -6.771 4.179 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.750 -5.722 1.431 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.271 -5.603 2.363 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.809 -7.953 1.062 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.013 -7.558 2.955 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.358 -10.332 0.649 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.440 -9.937 2.545 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.231 -11.329 1.391 1.00 0.00 H new ATOM 840 N VAL A 53 -1.988 -3.683 3.631 1.00 0.00 N ATOM 841 CA VAL A 53 -1.377 -2.482 4.224 1.00 0.00 C ATOM 842 C VAL A 53 -1.648 -2.336 5.720 1.00 0.00 C ATOM 843 O VAL A 53 -2.728 -2.676 6.205 1.00 0.00 O ATOM 844 CB VAL A 53 -1.862 -1.207 3.510 1.00 0.00 C ATOM 845 CG1 VAL A 53 -1.234 -1.094 2.129 1.00 0.00 C ATOM 846 CG2 VAL A 53 -3.380 -1.194 3.416 1.00 0.00 C ATOM 0 H VAL A 53 -2.041 -3.651 2.613 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.303 -2.610 4.090 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.549 -0.343 4.096 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.589 -0.187 1.641 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.149 -1.053 2.225 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.513 -1.961 1.530 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.705 -0.286 2.909 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.717 -2.065 2.853 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.807 -1.222 4.419 1.00 0.00 H new ATOM 856 N LYS A 54 -0.668 -1.804 6.445 1.00 0.00 N ATOM 857 CA LYS A 54 -0.813 -1.600 7.880 1.00 0.00 C ATOM 858 C LYS A 54 -0.651 -0.130 8.254 1.00 0.00 C ATOM 859 O LYS A 54 0.156 0.587 7.666 1.00 0.00 O ATOM 860 CB LYS A 54 0.195 -2.450 8.657 1.00 0.00 C ATOM 861 CG LYS A 54 -0.374 -3.042 9.936 1.00 0.00 C ATOM 862 CD LYS A 54 0.659 -3.056 11.052 1.00 0.00 C ATOM 863 CE LYS A 54 0.001 -3.064 12.422 1.00 0.00 C ATOM 864 NZ LYS A 54 0.980 -2.789 13.510 1.00 0.00 N ATOM 0 H LYS A 54 0.230 -1.508 6.063 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.821 -1.913 8.151 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.547 -3.259 8.017 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.062 -1.837 8.903 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.243 -2.464 10.250 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.719 -4.058 9.746 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.296 -3.934 10.948 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.304 -2.182 10.963 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.791 -2.316 12.449 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.469 -4.032 12.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.492 -2.803 14.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.722 -3.517 13.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.411 -1.854 13.361 1.00 0.00 H new ATOM 878 N GLU A 55 -1.426 0.309 9.241 1.00 0.00 N ATOM 879 CA GLU A 55 -1.375 1.692 9.702 1.00 0.00 C ATOM 880 C GLU A 55 -0.259 1.886 10.724 1.00 0.00 C ATOM 881 O GLU A 55 -0.076 1.062 11.621 1.00 0.00 O ATOM 882 CB GLU A 55 -2.719 2.096 10.314 1.00 0.00 C ATOM 883 CG GLU A 55 -3.559 2.982 9.409 1.00 0.00 C ATOM 884 CD GLU A 55 -4.834 3.457 10.080 1.00 0.00 C ATOM 885 OE1 GLU A 55 -4.753 3.958 11.221 1.00 0.00 O ATOM 886 OE2 GLU A 55 -5.912 3.327 9.463 1.00 0.00 O ATOM 0 H GLU A 55 -2.099 -0.275 9.738 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.168 2.328 8.841 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.285 1.196 10.553 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.538 2.618 11.254 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.969 3.846 9.104 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.813 2.433 8.502 1.00 0.00 H new ATOM 893 N LEU A 56 0.483 2.980 10.585 1.00 0.00 N ATOM 894 CA LEU A 56 1.579 3.281 11.499 1.00 0.00 C ATOM 895 C LEU A 56 1.187 4.389 12.474 1.00 0.00 C ATOM 896 O LEU A 56 2.036 5.149 12.940 1.00 0.00 O ATOM 897 CB LEU A 56 2.829 3.690 10.713 1.00 0.00 C ATOM 898 CG LEU A 56 3.894 2.600 10.576 1.00 0.00 C ATOM 899 CD1 LEU A 56 5.126 3.143 9.870 1.00 0.00 C ATOM 900 CD2 LEU A 56 4.263 2.041 11.942 1.00 0.00 C ATOM 0 H LEU A 56 0.345 3.672 9.849 1.00 0.00 H new ATOM 0 HA LEU A 56 1.799 2.381 12.073 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.525 4.007 9.715 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.278 4.556 11.199 1.00 0.00 H new ATOM 0 HG LEU A 56 3.483 1.791 9.973 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.872 2.354 9.782 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.850 3.494 8.876 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.540 3.971 10.446 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.022 1.267 11.826 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.655 2.842 12.569 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.377 1.613 12.411 1.00 0.00 H new