USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=7 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= -0.131 K(o=-0.13,f=-1.1) USER MOD Single : A 4 CYS SG : rot -17:sc= -1.32 USER MOD Single : A 5 LYS NZ :NH3+ 163:sc= -0.431 (180deg=-0.799) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.223 K(o=-0.22,f=-2.3!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN :FLIP amide:sc= -0.24! F(o=-1.3,f=-0.24!) USER MOD Single : A 43 ASN : amide:sc= -0.146 K(o=-0.15,f=-1.7!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 114:sc= 0.57 USER MOD Single : A 51 ASN : amide:sc= -2.45 K(o=-2.5,f=-4.1!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 2 -2.151 11.240 4.689 1.00 0.00 N ATOM 21 CA ARG A 2 -2.508 9.849 4.938 1.00 0.00 C ATOM 22 C ARG A 2 -1.388 8.913 4.495 1.00 0.00 C ATOM 23 O ARG A 2 -0.907 8.996 3.364 1.00 0.00 O ATOM 24 CB ARG A 2 -3.806 9.495 4.209 1.00 0.00 C ATOM 25 CG ARG A 2 -5.040 9.567 5.094 1.00 0.00 C ATOM 26 CD ARG A 2 -5.558 8.182 5.446 1.00 0.00 C ATOM 27 NE ARG A 2 -6.176 8.148 6.770 1.00 0.00 N ATOM 28 CZ ARG A 2 -6.998 7.185 7.180 1.00 0.00 C ATOM 29 NH1 ARG A 2 -7.304 6.177 6.374 1.00 0.00 N ATOM 30 NH2 ARG A 2 -7.515 7.231 8.400 1.00 0.00 N ATOM 0 HA ARG A 2 -2.658 9.724 6.010 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.935 10.172 3.364 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.720 8.488 3.800 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.801 10.110 6.008 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -5.822 10.130 4.584 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -6.286 7.866 4.698 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -4.735 7.468 5.412 1.00 0.00 H new ATOM 0 HE ARG A 2 -5.965 8.907 7.418 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.909 6.137 5.435 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.935 5.442 6.694 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -7.283 8.004 9.024 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -8.145 6.493 8.715 1.00 0.00 H new ATOM 44 N GLN A 3 -0.976 8.024 5.393 1.00 0.00 N ATOM 45 CA GLN A 3 0.088 7.073 5.094 1.00 0.00 C ATOM 46 C GLN A 3 -0.121 5.767 5.854 1.00 0.00 C ATOM 47 O GLN A 3 -0.595 5.767 6.990 1.00 0.00 O ATOM 48 CB GLN A 3 1.451 7.675 5.446 1.00 0.00 C ATOM 49 CG GLN A 3 2.462 7.596 4.313 1.00 0.00 C ATOM 50 CD GLN A 3 3.837 8.085 4.724 1.00 0.00 C ATOM 51 OE1 GLN A 3 4.055 8.465 5.875 1.00 0.00 O ATOM 52 NE2 GLN A 3 4.774 8.077 3.783 1.00 0.00 N ATOM 0 H GLN A 3 -1.363 7.942 6.333 1.00 0.00 H new ATOM 0 HA GLN A 3 0.061 6.856 4.026 1.00 0.00 H new ATOM 0 HB2 GLN A 3 1.316 8.719 5.729 1.00 0.00 H new ATOM 0 HB3 GLN A 3 1.853 7.158 6.317 1.00 0.00 H new ATOM 0 HG2 GLN A 3 2.535 6.565 3.968 1.00 0.00 H new ATOM 0 HG3 GLN A 3 2.106 8.190 3.471 1.00 0.00 H new ATOM 0 HE21 GLN A 3 4.549 7.754 2.842 1.00 0.00 H new ATOM 0 HE22 GLN A 3 5.719 8.394 4.001 1.00 0.00 H new ATOM 61 N CYS A 4 0.236 4.656 5.218 1.00 0.00 N ATOM 62 CA CYS A 4 0.088 3.340 5.831 1.00 0.00 C ATOM 63 C CYS A 4 1.191 2.399 5.357 1.00 0.00 C ATOM 64 O CYS A 4 1.601 2.446 4.197 1.00 0.00 O ATOM 65 CB CYS A 4 -1.282 2.746 5.495 1.00 0.00 C ATOM 66 SG CYS A 4 -2.663 3.891 5.728 1.00 0.00 S ATOM 0 H CYS A 4 0.630 4.640 4.277 1.00 0.00 H new ATOM 0 HA CYS A 4 0.168 3.457 6.912 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -1.275 2.409 4.459 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.446 1.865 6.116 1.00 0.00 H new ATOM 0 HG CYS A 4 -2.280 4.888 6.469 1.00 0.00 H new ATOM 72 N LYS A 5 1.670 1.546 6.258 1.00 0.00 N ATOM 73 CA LYS A 5 2.727 0.600 5.918 1.00 0.00 C ATOM 74 C LYS A 5 2.279 -0.841 6.152 1.00 0.00 C ATOM 75 O LYS A 5 1.832 -1.199 7.238 1.00 0.00 O ATOM 76 CB LYS A 5 3.984 0.902 6.742 1.00 0.00 C ATOM 77 CG LYS A 5 5.052 -0.178 6.658 1.00 0.00 C ATOM 78 CD LYS A 5 4.966 -1.135 7.836 1.00 0.00 C ATOM 79 CE LYS A 5 5.441 -0.479 9.123 1.00 0.00 C ATOM 80 NZ LYS A 5 6.924 -0.506 9.246 1.00 0.00 N ATOM 0 H LYS A 5 1.345 1.491 7.223 1.00 0.00 H new ATOM 0 HA LYS A 5 2.954 0.713 4.858 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.410 1.847 6.404 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.699 1.036 7.785 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.938 -0.733 5.727 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.039 0.285 6.634 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.937 -1.473 7.957 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.570 -2.019 7.633 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.093 0.554 9.154 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.997 -0.991 9.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.225 0.183 9.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.232 -1.458 9.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.353 -0.262 8.331 1.00 0.00 H new ATOM 94 N VAL A 6 2.416 -1.659 5.116 1.00 0.00 N ATOM 95 CA VAL A 6 2.042 -3.069 5.171 1.00 0.00 C ATOM 96 C VAL A 6 2.892 -3.830 6.184 1.00 0.00 C ATOM 97 O VAL A 6 4.082 -3.556 6.339 1.00 0.00 O ATOM 98 CB VAL A 6 2.200 -3.747 3.792 1.00 0.00 C ATOM 99 CG1 VAL A 6 1.429 -5.056 3.748 1.00 0.00 C ATOM 100 CG2 VAL A 6 1.752 -2.817 2.669 1.00 0.00 C ATOM 0 H VAL A 6 2.789 -1.365 4.213 1.00 0.00 H new ATOM 0 HA VAL A 6 0.996 -3.101 5.475 1.00 0.00 H new ATOM 0 HB VAL A 6 3.257 -3.966 3.643 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.553 -5.518 2.769 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.809 -5.728 4.517 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.371 -4.862 3.926 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.874 -3.320 1.710 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.704 -2.555 2.810 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.358 -1.911 2.683 1.00 0.00 H new ATOM 110 N LEU A 7 2.277 -4.790 6.869 1.00 0.00 N ATOM 111 CA LEU A 7 2.986 -5.593 7.861 1.00 0.00 C ATOM 112 C LEU A 7 3.482 -6.906 7.254 1.00 0.00 C ATOM 113 O LEU A 7 4.418 -7.520 7.766 1.00 0.00 O ATOM 114 CB LEU A 7 2.088 -5.873 9.072 1.00 0.00 C ATOM 115 CG LEU A 7 0.749 -6.546 8.759 1.00 0.00 C ATOM 116 CD1 LEU A 7 0.958 -8.007 8.400 1.00 0.00 C ATOM 117 CD2 LEU A 7 -0.202 -6.419 9.942 1.00 0.00 C ATOM 0 H LEU A 7 1.292 -5.030 6.756 1.00 0.00 H new ATOM 0 HA LEU A 7 3.853 -5.023 8.194 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.637 -6.504 9.771 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.890 -4.930 9.581 1.00 0.00 H new ATOM 0 HG LEU A 7 0.303 -6.041 7.902 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.005 -8.469 8.181 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.603 -8.078 7.524 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.426 -8.524 9.238 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.149 -6.903 9.701 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.239 -6.898 10.816 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.378 -5.365 10.156 1.00 0.00 H new ATOM 129 N PHE A 8 2.856 -7.329 6.157 1.00 0.00 N ATOM 130 CA PHE A 8 3.243 -8.566 5.481 1.00 0.00 C ATOM 131 C PHE A 8 3.750 -8.278 4.071 1.00 0.00 C ATOM 132 O PHE A 8 3.777 -7.128 3.633 1.00 0.00 O ATOM 133 CB PHE A 8 2.061 -9.540 5.419 1.00 0.00 C ATOM 134 CG PHE A 8 2.206 -10.727 6.331 1.00 0.00 C ATOM 135 CD1 PHE A 8 2.766 -10.590 7.591 1.00 0.00 C ATOM 136 CD2 PHE A 8 1.780 -11.982 5.925 1.00 0.00 C ATOM 137 CE1 PHE A 8 2.899 -11.681 8.428 1.00 0.00 C ATOM 138 CE2 PHE A 8 1.911 -13.077 6.758 1.00 0.00 C ATOM 139 CZ PHE A 8 2.471 -12.927 8.011 1.00 0.00 C ATOM 0 H PHE A 8 2.080 -6.834 5.718 1.00 0.00 H new ATOM 0 HA PHE A 8 4.048 -9.023 6.056 1.00 0.00 H new ATOM 0 HB2 PHE A 8 1.147 -9.005 5.677 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.946 -9.893 4.394 1.00 0.00 H new ATOM 0 HD1 PHE A 8 3.102 -9.619 7.923 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.341 -12.106 4.946 1.00 0.00 H new ATOM 0 HE1 PHE A 8 3.337 -11.560 9.408 1.00 0.00 H new ATOM 0 HE2 PHE A 8 1.576 -14.049 6.429 1.00 0.00 H new ATOM 0 HZ PHE A 8 2.574 -13.781 8.664 1.00 0.00 H new ATOM 149 N GLU A 9 4.152 -9.331 3.365 1.00 0.00 N ATOM 150 CA GLU A 9 4.657 -9.192 2.003 1.00 0.00 C ATOM 151 C GLU A 9 3.643 -9.721 0.991 1.00 0.00 C ATOM 152 O GLU A 9 2.824 -10.582 1.311 1.00 0.00 O ATOM 153 CB GLU A 9 5.987 -9.935 1.852 1.00 0.00 C ATOM 154 CG GLU A 9 7.075 -9.105 1.191 1.00 0.00 C ATOM 155 CD GLU A 9 8.190 -9.957 0.618 1.00 0.00 C ATOM 156 OE1 GLU A 9 8.382 -11.091 1.107 1.00 0.00 O ATOM 157 OE2 GLU A 9 8.872 -9.492 -0.319 1.00 0.00 O ATOM 0 H GLU A 9 4.138 -10.290 3.714 1.00 0.00 H new ATOM 0 HA GLU A 9 4.819 -8.132 1.806 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.331 -10.252 2.837 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.824 -10.839 1.265 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.636 -8.504 0.395 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.491 -8.411 1.921 1.00 0.00 H new ATOM 164 N TYR A 10 3.705 -9.199 -0.231 1.00 0.00 N ATOM 165 CA TYR A 10 2.792 -9.620 -1.288 1.00 0.00 C ATOM 166 C TYR A 10 3.531 -9.794 -2.611 1.00 0.00 C ATOM 167 O TYR A 10 4.461 -9.048 -2.917 1.00 0.00 O ATOM 168 CB TYR A 10 1.663 -8.602 -1.454 1.00 0.00 C ATOM 169 CG TYR A 10 0.634 -9.004 -2.486 1.00 0.00 C ATOM 170 CD1 TYR A 10 -0.393 -9.883 -2.165 1.00 0.00 C ATOM 171 CD2 TYR A 10 0.690 -8.506 -3.782 1.00 0.00 C ATOM 172 CE1 TYR A 10 -1.334 -10.255 -3.107 1.00 0.00 C ATOM 173 CE2 TYR A 10 -0.247 -8.872 -4.728 1.00 0.00 C ATOM 174 CZ TYR A 10 -1.256 -9.747 -4.386 1.00 0.00 C ATOM 175 OH TYR A 10 -2.192 -10.115 -5.326 1.00 0.00 O ATOM 0 H TYR A 10 4.377 -8.485 -0.513 1.00 0.00 H new ATOM 0 HA TYR A 10 2.366 -10.581 -1.000 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.167 -8.462 -0.494 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.091 -7.640 -1.735 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.457 -10.282 -1.163 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.480 -7.821 -4.054 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.126 -10.940 -2.842 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.190 -8.475 -5.731 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.996 -9.668 -6.176 1.00 0.00 H new ATOM 185 N ILE A 11 3.111 -10.786 -3.392 1.00 0.00 N ATOM 186 CA ILE A 11 3.734 -11.059 -4.682 1.00 0.00 C ATOM 187 C ILE A 11 2.746 -10.851 -5.830 1.00 0.00 C ATOM 188 O ILE A 11 1.838 -11.658 -6.029 1.00 0.00 O ATOM 189 CB ILE A 11 4.276 -12.500 -4.747 1.00 0.00 C ATOM 190 CG1 ILE A 11 5.104 -12.814 -3.499 1.00 0.00 C ATOM 191 CG2 ILE A 11 5.107 -12.697 -6.006 1.00 0.00 C ATOM 192 CD1 ILE A 11 4.350 -13.614 -2.459 1.00 0.00 C ATOM 0 H ILE A 11 2.343 -11.413 -3.153 1.00 0.00 H new ATOM 0 HA ILE A 11 4.562 -10.357 -4.787 1.00 0.00 H new ATOM 0 HB ILE A 11 3.432 -13.189 -4.782 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.996 -13.366 -3.794 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.442 -11.879 -3.052 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.483 -13.720 -6.038 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.488 -12.511 -6.883 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.947 -12.002 -6.000 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.998 -13.800 -1.603 1.00 0.00 H new ATOM 0 HD12 ILE A 11 3.472 -13.054 -2.135 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.036 -14.565 -2.889 1.00 0.00 H new ATOM 204 N PRO A 12 2.909 -9.763 -6.606 1.00 0.00 N ATOM 205 CA PRO A 12 2.026 -9.460 -7.735 1.00 0.00 C ATOM 206 C PRO A 12 2.358 -10.294 -8.969 1.00 0.00 C ATOM 207 O PRO A 12 3.109 -11.265 -8.889 1.00 0.00 O ATOM 208 CB PRO A 12 2.302 -7.981 -7.997 1.00 0.00 C ATOM 209 CG PRO A 12 3.721 -7.788 -7.586 1.00 0.00 C ATOM 210 CD PRO A 12 3.965 -8.743 -6.445 1.00 0.00 C ATOM 0 HA PRO A 12 0.982 -9.684 -7.516 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.155 -7.730 -9.047 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.632 -7.344 -7.420 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.397 -7.993 -8.416 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.899 -6.758 -7.276 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.960 -9.185 -6.500 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.892 -8.241 -5.480 1.00 0.00 H new ATOM 218 N GLN A 13 1.794 -9.908 -10.111 1.00 0.00 N ATOM 219 CA GLN A 13 2.036 -10.624 -11.359 1.00 0.00 C ATOM 220 C GLN A 13 1.752 -9.736 -12.569 1.00 0.00 C ATOM 221 O GLN A 13 2.505 -9.743 -13.543 1.00 0.00 O ATOM 222 CB GLN A 13 1.177 -11.889 -11.425 1.00 0.00 C ATOM 223 CG GLN A 13 -0.311 -11.630 -11.258 1.00 0.00 C ATOM 224 CD GLN A 13 -1.152 -12.857 -11.552 1.00 0.00 C ATOM 225 OE1 GLN A 13 -1.683 -13.011 -12.653 1.00 0.00 O ATOM 226 NE2 GLN A 13 -1.279 -13.739 -10.568 1.00 0.00 N ATOM 0 H GLN A 13 1.169 -9.107 -10.197 1.00 0.00 H new ATOM 0 HA GLN A 13 3.088 -10.907 -11.382 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.345 -12.381 -12.383 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.505 -12.581 -10.649 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.506 -11.296 -10.239 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.612 -10.820 -11.922 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.822 -13.572 -9.671 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.833 -14.584 -10.709 1.00 0.00 H new ATOM 235 N ASN A 14 0.663 -8.976 -12.504 1.00 0.00 N ATOM 236 CA ASN A 14 0.286 -8.090 -13.599 1.00 0.00 C ATOM 237 C ASN A 14 0.821 -6.679 -13.372 1.00 0.00 C ATOM 238 O ASN A 14 1.261 -6.340 -12.273 1.00 0.00 O ATOM 239 CB ASN A 14 -1.236 -8.051 -13.751 1.00 0.00 C ATOM 240 CG ASN A 14 -1.670 -8.013 -15.204 1.00 0.00 C ATOM 241 OD1 ASN A 14 -1.354 -8.913 -15.982 1.00 0.00 O ATOM 242 ND2 ASN A 14 -2.397 -6.966 -15.576 1.00 0.00 N ATOM 0 H ASN A 14 0.028 -8.956 -11.706 1.00 0.00 H new ATOM 0 HA ASN A 14 0.727 -8.482 -14.515 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.669 -8.927 -13.268 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.628 -7.175 -13.234 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.717 -6.884 -16.541 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.635 -6.243 -14.897 1.00 0.00 H new ATOM 249 N GLU A 15 0.779 -5.862 -14.419 1.00 0.00 N ATOM 250 CA GLU A 15 1.259 -4.487 -14.336 1.00 0.00 C ATOM 251 C GLU A 15 0.398 -3.658 -13.385 1.00 0.00 C ATOM 252 O GLU A 15 0.823 -2.605 -12.909 1.00 0.00 O ATOM 253 CB GLU A 15 1.266 -3.843 -15.724 1.00 0.00 C ATOM 254 CG GLU A 15 2.240 -2.683 -15.851 1.00 0.00 C ATOM 255 CD GLU A 15 3.665 -3.081 -15.519 1.00 0.00 C ATOM 256 OE1 GLU A 15 4.204 -3.981 -16.197 1.00 0.00 O ATOM 257 OE2 GLU A 15 4.242 -2.492 -14.581 1.00 0.00 O ATOM 0 H GLU A 15 0.418 -6.128 -15.335 1.00 0.00 H new ATOM 0 HA GLU A 15 2.276 -4.511 -13.945 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.518 -4.601 -16.466 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.261 -3.490 -15.957 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.203 -2.292 -16.868 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.928 -1.876 -15.188 1.00 0.00 H new ATOM 264 N ASP A 16 -0.812 -4.138 -13.109 1.00 0.00 N ATOM 265 CA ASP A 16 -1.725 -3.437 -12.213 1.00 0.00 C ATOM 266 C ASP A 16 -1.624 -3.982 -10.791 1.00 0.00 C ATOM 267 O ASP A 16 -2.595 -3.952 -10.034 1.00 0.00 O ATOM 268 CB ASP A 16 -3.164 -3.561 -12.718 1.00 0.00 C ATOM 269 CG ASP A 16 -3.947 -2.273 -12.557 1.00 0.00 C ATOM 270 OD1 ASP A 16 -3.700 -1.327 -13.333 1.00 0.00 O ATOM 271 OD2 ASP A 16 -4.809 -2.212 -11.654 1.00 0.00 O ATOM 0 H ASP A 16 -1.182 -5.008 -13.493 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.441 -2.385 -12.199 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.153 -3.847 -13.770 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.669 -4.360 -12.175 1.00 0.00 H new ATOM 276 N GLU A 17 -0.444 -4.477 -10.434 1.00 0.00 N ATOM 277 CA GLU A 17 -0.216 -5.026 -9.103 1.00 0.00 C ATOM 278 C GLU A 17 1.196 -4.708 -8.622 1.00 0.00 C ATOM 279 O GLU A 17 2.179 -5.077 -9.265 1.00 0.00 O ATOM 280 CB GLU A 17 -0.441 -6.540 -9.106 1.00 0.00 C ATOM 281 CG GLU A 17 -1.861 -6.942 -9.469 1.00 0.00 C ATOM 282 CD GLU A 17 -1.998 -8.431 -9.723 1.00 0.00 C ATOM 283 OE1 GLU A 17 -1.603 -8.886 -10.817 1.00 0.00 O ATOM 284 OE2 GLU A 17 -2.502 -9.142 -8.827 1.00 0.00 O ATOM 0 H GLU A 17 0.370 -4.509 -11.048 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.927 -4.564 -8.418 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.250 -7.000 -9.812 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.201 -6.937 -8.120 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.534 -6.651 -8.663 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.174 -6.395 -10.359 1.00 0.00 H new ATOM 291 N LEU A 18 1.289 -4.021 -7.489 1.00 0.00 N ATOM 292 CA LEU A 18 2.582 -3.652 -6.924 1.00 0.00 C ATOM 293 C LEU A 18 2.999 -4.634 -5.834 1.00 0.00 C ATOM 294 O LEU A 18 2.154 -5.236 -5.172 1.00 0.00 O ATOM 295 CB LEU A 18 2.528 -2.233 -6.357 1.00 0.00 C ATOM 296 CG LEU A 18 3.875 -1.663 -5.907 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.815 -1.517 -7.094 1.00 0.00 C ATOM 298 CD2 LEU A 18 3.680 -0.324 -5.212 1.00 0.00 C ATOM 0 H LEU A 18 0.485 -3.708 -6.944 1.00 0.00 H new ATOM 0 HA LEU A 18 3.323 -3.688 -7.722 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.106 -1.572 -7.114 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.845 -2.223 -5.508 1.00 0.00 H new ATOM 0 HG LEU A 18 4.324 -2.357 -5.197 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.768 -1.110 -6.756 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.979 -2.493 -7.551 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.373 -0.843 -7.827 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.648 0.067 -4.898 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.210 0.378 -5.901 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.042 -0.457 -4.338 1.00 0.00 H new ATOM 310 N GLU A 19 4.306 -4.791 -5.656 1.00 0.00 N ATOM 311 CA GLU A 19 4.834 -5.702 -4.647 1.00 0.00 C ATOM 312 C GLU A 19 4.950 -5.009 -3.294 1.00 0.00 C ATOM 313 O GLU A 19 5.826 -4.169 -3.088 1.00 0.00 O ATOM 314 CB GLU A 19 6.200 -6.237 -5.079 1.00 0.00 C ATOM 315 CG GLU A 19 6.533 -7.598 -4.490 1.00 0.00 C ATOM 316 CD GLU A 19 7.858 -8.140 -4.990 1.00 0.00 C ATOM 317 OE1 GLU A 19 8.276 -7.755 -6.102 1.00 0.00 O ATOM 318 OE2 GLU A 19 8.477 -8.950 -4.269 1.00 0.00 O ATOM 0 H GLU A 19 5.018 -4.300 -6.196 1.00 0.00 H new ATOM 0 HA GLU A 19 4.140 -6.536 -4.548 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.227 -6.304 -6.167 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.970 -5.524 -4.784 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.562 -7.522 -3.403 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.739 -8.302 -4.739 1.00 0.00 H new ATOM 325 N LEU A 20 4.062 -5.371 -2.373 1.00 0.00 N ATOM 326 CA LEU A 20 4.066 -4.788 -1.037 1.00 0.00 C ATOM 327 C LEU A 20 5.129 -5.444 -0.163 1.00 0.00 C ATOM 328 O LEU A 20 5.006 -6.611 0.209 1.00 0.00 O ATOM 329 CB LEU A 20 2.689 -4.941 -0.387 1.00 0.00 C ATOM 330 CG LEU A 20 1.612 -3.994 -0.919 1.00 0.00 C ATOM 331 CD1 LEU A 20 0.290 -4.236 -0.206 1.00 0.00 C ATOM 332 CD2 LEU A 20 2.051 -2.546 -0.759 1.00 0.00 C ATOM 0 H LEU A 20 3.331 -6.065 -2.528 1.00 0.00 H new ATOM 0 HA LEU A 20 4.300 -3.727 -1.130 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.350 -5.967 -0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.792 -4.783 0.687 1.00 0.00 H new ATOM 0 HG LEU A 20 1.469 -4.194 -1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.465 -3.554 -0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.030 -5.265 -0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.416 -4.063 0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.273 -1.886 -1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.221 -2.332 0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.973 -2.382 -1.316 1.00 0.00 H new ATOM 344 N LYS A 21 6.172 -4.688 0.160 1.00 0.00 N ATOM 345 CA LYS A 21 7.257 -5.198 0.991 1.00 0.00 C ATOM 346 C LYS A 21 6.990 -4.915 2.466 1.00 0.00 C ATOM 347 O LYS A 21 6.461 -3.861 2.820 1.00 0.00 O ATOM 348 CB LYS A 21 8.587 -4.570 0.567 1.00 0.00 C ATOM 349 CG LYS A 21 9.677 -5.590 0.278 1.00 0.00 C ATOM 350 CD LYS A 21 10.722 -5.032 -0.675 1.00 0.00 C ATOM 351 CE LYS A 21 12.058 -5.741 -0.517 1.00 0.00 C ATOM 352 NZ LYS A 21 12.336 -6.660 -1.655 1.00 0.00 N ATOM 0 H LYS A 21 6.290 -3.720 -0.140 1.00 0.00 H new ATOM 0 HA LYS A 21 7.314 -6.278 0.854 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.425 -3.962 -0.323 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.929 -3.898 1.354 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.156 -5.887 1.211 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.232 -6.487 -0.152 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.372 -5.138 -1.702 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.851 -3.966 -0.491 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.855 -5.001 -0.444 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.061 -6.306 0.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.255 -7.124 -1.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.589 -7.381 -1.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.358 -6.117 -2.542 1.00 0.00 H new ATOM 366 N VAL A 22 7.360 -5.860 3.323 1.00 0.00 N ATOM 367 CA VAL A 22 7.163 -5.711 4.755 1.00 0.00 C ATOM 368 C VAL A 22 7.981 -4.546 5.301 1.00 0.00 C ATOM 369 O VAL A 22 9.184 -4.453 5.057 1.00 0.00 O ATOM 370 CB VAL A 22 7.555 -6.996 5.504 1.00 0.00 C ATOM 371 CG1 VAL A 22 6.491 -8.068 5.323 1.00 0.00 C ATOM 372 CG2 VAL A 22 8.913 -7.498 5.034 1.00 0.00 C ATOM 0 H VAL A 22 7.799 -6.739 3.047 1.00 0.00 H new ATOM 0 HA VAL A 22 6.103 -5.512 4.915 1.00 0.00 H new ATOM 0 HB VAL A 22 7.627 -6.765 6.567 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.787 -8.969 5.860 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.540 -7.707 5.716 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.382 -8.297 4.263 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.172 -8.408 5.576 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.872 -7.711 3.966 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.668 -6.735 5.223 1.00 0.00 H new ATOM 382 N GLY A 23 7.322 -3.659 6.039 1.00 0.00 N ATOM 383 CA GLY A 23 8.009 -2.513 6.604 1.00 0.00 C ATOM 384 C GLY A 23 8.010 -1.310 5.677 1.00 0.00 C ATOM 385 O GLY A 23 8.466 -0.231 6.056 1.00 0.00 O ATOM 0 H GLY A 23 6.327 -3.713 6.255 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.534 -2.239 7.546 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.038 -2.789 6.834 1.00 0.00 H new ATOM 389 N ASP A 24 7.504 -1.491 4.459 1.00 0.00 N ATOM 390 CA ASP A 24 7.459 -0.406 3.484 1.00 0.00 C ATOM 391 C ASP A 24 6.158 0.381 3.601 1.00 0.00 C ATOM 392 O ASP A 24 5.069 -0.194 3.586 1.00 0.00 O ATOM 393 CB ASP A 24 7.610 -0.962 2.065 1.00 0.00 C ATOM 394 CG ASP A 24 8.951 -0.615 1.449 1.00 0.00 C ATOM 395 OD1 ASP A 24 9.295 0.586 1.412 1.00 0.00 O ATOM 396 OD2 ASP A 24 9.659 -1.543 1.005 1.00 0.00 O ATOM 0 H ASP A 24 7.121 -2.376 4.125 1.00 0.00 H new ATOM 0 HA ASP A 24 8.288 0.270 3.692 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.493 -2.045 2.088 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.811 -0.568 1.436 1.00 0.00 H new ATOM 401 N ILE A 25 6.279 1.700 3.715 1.00 0.00 N ATOM 402 CA ILE A 25 5.112 2.566 3.833 1.00 0.00 C ATOM 403 C ILE A 25 4.738 3.171 2.483 1.00 0.00 C ATOM 404 O ILE A 25 5.559 3.816 1.831 1.00 0.00 O ATOM 405 CB ILE A 25 5.351 3.701 4.850 1.00 0.00 C ATOM 406 CG1 ILE A 25 4.058 4.481 5.092 1.00 0.00 C ATOM 407 CG2 ILE A 25 6.453 4.633 4.366 1.00 0.00 C ATOM 408 CD1 ILE A 25 3.884 4.933 6.526 1.00 0.00 C ATOM 0 H ILE A 25 7.173 2.192 3.728 1.00 0.00 H new ATOM 0 HA ILE A 25 4.290 1.943 4.187 1.00 0.00 H new ATOM 0 HB ILE A 25 5.669 3.256 5.793 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.043 5.354 4.440 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.209 3.858 4.810 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.606 5.426 5.098 1.00 0.00 H new ATOM 0 HG22 ILE A 25 7.378 4.070 4.243 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.165 5.071 3.410 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.946 5.480 6.624 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.867 4.063 7.182 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.713 5.583 6.806 1.00 0.00 H new ATOM 420 N ILE A 26 3.493 2.958 2.069 1.00 0.00 N ATOM 421 CA ILE A 26 3.009 3.481 0.798 1.00 0.00 C ATOM 422 C ILE A 26 1.989 4.593 1.015 1.00 0.00 C ATOM 423 O ILE A 26 0.971 4.393 1.677 1.00 0.00 O ATOM 424 CB ILE A 26 2.368 2.373 -0.060 1.00 0.00 C ATOM 425 CG1 ILE A 26 3.287 1.152 -0.124 1.00 0.00 C ATOM 426 CG2 ILE A 26 2.068 2.892 -1.458 1.00 0.00 C ATOM 427 CD1 ILE A 26 3.124 0.211 1.051 1.00 0.00 C ATOM 0 H ILE A 26 2.801 2.426 2.597 1.00 0.00 H new ATOM 0 HA ILE A 26 3.875 3.882 0.271 1.00 0.00 H new ATOM 0 HB ILE A 26 1.428 2.073 0.403 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.089 0.606 -1.047 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.323 1.489 -0.169 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.616 2.098 -2.052 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.379 3.734 -1.393 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.994 3.217 -1.932 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.806 -0.632 0.940 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.350 0.741 1.976 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.098 -0.155 1.084 1.00 0.00 H new ATOM 439 N ASP A 27 2.267 5.764 0.452 1.00 0.00 N ATOM 440 CA ASP A 27 1.371 6.906 0.585 1.00 0.00 C ATOM 441 C ASP A 27 0.132 6.728 -0.286 1.00 0.00 C ATOM 442 O ASP A 27 0.231 6.614 -1.507 1.00 0.00 O ATOM 443 CB ASP A 27 2.097 8.197 0.203 1.00 0.00 C ATOM 444 CG ASP A 27 1.399 9.432 0.740 1.00 0.00 C ATOM 445 OD1 ASP A 27 0.288 9.741 0.261 1.00 0.00 O ATOM 446 OD2 ASP A 27 1.964 10.089 1.640 1.00 0.00 O ATOM 0 H ASP A 27 3.105 5.947 -0.100 1.00 0.00 H new ATOM 0 HA ASP A 27 1.055 6.970 1.626 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.117 8.164 0.586 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.166 8.265 -0.883 1.00 0.00 H new ATOM 451 N ILE A 28 -1.034 6.707 0.351 1.00 0.00 N ATOM 452 CA ILE A 28 -2.293 6.544 -0.366 1.00 0.00 C ATOM 453 C ILE A 28 -2.828 7.887 -0.850 1.00 0.00 C ATOM 454 O ILE A 28 -3.048 8.802 -0.056 1.00 0.00 O ATOM 455 CB ILE A 28 -3.361 5.860 0.511 1.00 0.00 C ATOM 456 CG1 ILE A 28 -3.429 6.519 1.890 1.00 0.00 C ATOM 457 CG2 ILE A 28 -3.064 4.374 0.644 1.00 0.00 C ATOM 458 CD1 ILE A 28 -4.641 6.107 2.697 1.00 0.00 C ATOM 0 H ILE A 28 -1.133 6.801 1.362 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.085 5.908 -1.226 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.331 5.978 0.028 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.528 6.267 2.449 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.436 7.602 1.766 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.826 3.905 1.266 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.067 3.913 -0.344 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.086 4.238 1.105 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.624 6.612 3.663 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.548 6.383 2.159 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.625 5.028 2.852 1.00 0.00 H new ATOM 470 N ASN A 29 -3.033 8.000 -2.159 1.00 0.00 N ATOM 471 CA ASN A 29 -3.541 9.232 -2.750 1.00 0.00 C ATOM 472 C ASN A 29 -5.059 9.184 -2.892 1.00 0.00 C ATOM 473 O ASN A 29 -5.754 10.148 -2.570 1.00 0.00 O ATOM 474 CB ASN A 29 -2.895 9.470 -4.117 1.00 0.00 C ATOM 475 CG ASN A 29 -1.708 10.409 -4.041 1.00 0.00 C ATOM 476 OD1 ASN A 29 -1.284 10.806 -2.955 1.00 0.00 O ATOM 477 ND2 ASN A 29 -1.164 10.771 -5.197 1.00 0.00 N ATOM 0 H ASN A 29 -2.855 7.253 -2.830 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.284 10.057 -2.086 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.574 8.516 -4.535 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.638 9.883 -4.800 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.363 11.402 -5.208 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.547 10.418 -6.074 1.00 0.00 H new ATOM 484 N GLU A 30 -5.569 8.056 -3.377 1.00 0.00 N ATOM 485 CA GLU A 30 -7.006 7.884 -3.561 1.00 0.00 C ATOM 486 C GLU A 30 -7.380 6.406 -3.588 1.00 0.00 C ATOM 487 O GLU A 30 -6.523 5.541 -3.770 1.00 0.00 O ATOM 488 CB GLU A 30 -7.460 8.561 -4.856 1.00 0.00 C ATOM 489 CG GLU A 30 -6.647 8.153 -6.073 1.00 0.00 C ATOM 490 CD GLU A 30 -7.488 8.061 -7.331 1.00 0.00 C ATOM 491 OE1 GLU A 30 -8.018 9.104 -7.769 1.00 0.00 O ATOM 492 OE2 GLU A 30 -7.618 6.945 -7.878 1.00 0.00 O ATOM 0 H GLU A 30 -5.009 7.248 -3.649 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.513 8.352 -2.717 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.509 8.322 -5.033 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.396 9.642 -4.733 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.845 8.875 -6.228 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.176 7.189 -5.884 1.00 0.00 H new ATOM 499 N GLU A 31 -8.666 6.124 -3.405 1.00 0.00 N ATOM 500 CA GLU A 31 -9.156 4.751 -3.409 1.00 0.00 C ATOM 501 C GLU A 31 -9.610 4.339 -4.806 1.00 0.00 C ATOM 502 O GLU A 31 -10.435 5.011 -5.424 1.00 0.00 O ATOM 503 CB GLU A 31 -10.313 4.599 -2.419 1.00 0.00 C ATOM 504 CG GLU A 31 -10.344 3.248 -1.722 1.00 0.00 C ATOM 505 CD GLU A 31 -11.698 2.572 -1.816 1.00 0.00 C ATOM 506 OE1 GLU A 31 -12.334 2.665 -2.887 1.00 0.00 O ATOM 507 OE2 GLU A 31 -12.122 1.951 -0.820 1.00 0.00 O ATOM 0 H GLU A 31 -9.387 6.829 -3.252 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.338 4.098 -3.106 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.242 5.385 -1.667 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.255 4.747 -2.948 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.587 2.599 -2.163 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.080 3.379 -0.673 1.00 0.00 H new ATOM 514 N VAL A 32 -9.066 3.230 -5.297 1.00 0.00 N ATOM 515 CA VAL A 32 -9.416 2.730 -6.621 1.00 0.00 C ATOM 516 C VAL A 32 -10.816 2.127 -6.629 1.00 0.00 C ATOM 517 O VAL A 32 -11.558 2.269 -7.601 1.00 0.00 O ATOM 518 CB VAL A 32 -8.408 1.671 -7.110 1.00 0.00 C ATOM 519 CG1 VAL A 32 -7.075 2.319 -7.449 1.00 0.00 C ATOM 520 CG2 VAL A 32 -8.228 0.578 -6.066 1.00 0.00 C ATOM 0 H VAL A 32 -8.382 2.661 -4.798 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.388 3.584 -7.298 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.804 1.212 -8.016 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.376 1.556 -7.792 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.220 3.059 -8.236 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.672 2.807 -6.562 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.513 -0.159 -6.431 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.856 1.017 -5.140 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.186 0.093 -5.879 1.00 0.00 H new ATOM 530 N GLU A 33 -11.172 1.453 -5.539 1.00 0.00 N ATOM 531 CA GLU A 33 -12.485 0.828 -5.420 1.00 0.00 C ATOM 532 C GLU A 33 -12.648 0.163 -4.057 1.00 0.00 C ATOM 533 O GLU A 33 -11.748 0.214 -3.219 1.00 0.00 O ATOM 534 CB GLU A 33 -12.684 -0.206 -6.530 1.00 0.00 C ATOM 535 CG GLU A 33 -11.705 -1.366 -6.464 1.00 0.00 C ATOM 536 CD GLU A 33 -11.618 -2.131 -7.771 1.00 0.00 C ATOM 537 OE1 GLU A 33 -10.926 -1.653 -8.694 1.00 0.00 O ATOM 538 OE2 GLU A 33 -12.243 -3.208 -7.871 1.00 0.00 O ATOM 0 H GLU A 33 -10.569 1.326 -4.726 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.241 1.607 -5.519 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -13.700 -0.596 -6.474 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -12.585 0.288 -7.497 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.717 -0.988 -6.202 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.007 -2.047 -5.668 1.00 0.00 H new ATOM 545 N GLU A 34 -13.802 -0.460 -3.843 1.00 0.00 N ATOM 546 CA GLU A 34 -14.083 -1.136 -2.581 1.00 0.00 C ATOM 547 C GLU A 34 -13.312 -2.448 -2.484 1.00 0.00 C ATOM 548 O GLU A 34 -13.693 -3.450 -3.089 1.00 0.00 O ATOM 549 CB GLU A 34 -15.583 -1.401 -2.444 1.00 0.00 C ATOM 550 CG GLU A 34 -16.049 -1.531 -1.003 1.00 0.00 C ATOM 551 CD GLU A 34 -16.664 -0.252 -0.471 1.00 0.00 C ATOM 552 OE1 GLU A 34 -16.297 0.834 -0.966 1.00 0.00 O ATOM 553 OE2 GLU A 34 -17.513 -0.336 0.441 1.00 0.00 O ATOM 0 H GLU A 34 -14.558 -0.511 -4.526 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.760 -0.485 -1.768 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -16.132 -0.590 -2.923 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.832 -2.316 -2.982 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -16.779 -2.337 -0.933 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -15.203 -1.811 -0.375 1.00 0.00 H new ATOM 560 N GLY A 35 -12.225 -2.435 -1.719 1.00 0.00 N ATOM 561 CA GLY A 35 -11.417 -3.629 -1.557 1.00 0.00 C ATOM 562 C GLY A 35 -9.951 -3.380 -1.849 1.00 0.00 C ATOM 563 O GLY A 35 -9.088 -3.665 -1.018 1.00 0.00 O ATOM 0 H GLY A 35 -11.889 -1.618 -1.208 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.523 -4.001 -0.538 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.789 -4.409 -2.221 1.00 0.00 H new ATOM 567 N TRP A 36 -9.668 -2.844 -3.032 1.00 0.00 N ATOM 568 CA TRP A 36 -8.295 -2.555 -3.431 1.00 0.00 C ATOM 569 C TRP A 36 -7.973 -1.078 -3.225 1.00 0.00 C ATOM 570 O TRP A 36 -8.801 -0.209 -3.497 1.00 0.00 O ATOM 571 CB TRP A 36 -8.072 -2.938 -4.897 1.00 0.00 C ATOM 572 CG TRP A 36 -8.738 -4.223 -5.287 1.00 0.00 C ATOM 573 CD1 TRP A 36 -10.037 -4.388 -5.672 1.00 0.00 C ATOM 574 CD2 TRP A 36 -8.138 -5.524 -5.331 1.00 0.00 C ATOM 575 NE1 TRP A 36 -10.283 -5.710 -5.952 1.00 0.00 N ATOM 576 CE2 TRP A 36 -9.133 -6.428 -5.751 1.00 0.00 C ATOM 577 CE3 TRP A 36 -6.857 -6.012 -5.057 1.00 0.00 C ATOM 578 CZ2 TRP A 36 -8.885 -7.790 -5.902 1.00 0.00 C ATOM 579 CZ3 TRP A 36 -6.613 -7.364 -5.208 1.00 0.00 C ATOM 580 CH2 TRP A 36 -7.623 -8.239 -5.628 1.00 0.00 C ATOM 0 H TRP A 36 -10.370 -2.601 -3.731 1.00 0.00 H new ATOM 0 HA TRP A 36 -7.628 -3.148 -2.805 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -8.445 -2.136 -5.535 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.001 -3.022 -5.084 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -10.766 -3.594 -5.746 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -11.176 -6.095 -6.259 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -6.072 -5.345 -4.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -9.662 -8.468 -6.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.627 -7.752 -4.999 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -7.400 -9.290 -5.738 1.00 0.00 H new ATOM 591 N TRP A 37 -6.766 -0.801 -2.742 1.00 0.00 N ATOM 592 CA TRP A 37 -6.338 0.572 -2.499 1.00 0.00 C ATOM 593 C TRP A 37 -5.129 0.928 -3.358 1.00 0.00 C ATOM 594 O TRP A 37 -4.433 0.047 -3.864 1.00 0.00 O ATOM 595 CB TRP A 37 -6.002 0.768 -1.019 1.00 0.00 C ATOM 596 CG TRP A 37 -7.174 1.208 -0.196 1.00 0.00 C ATOM 597 CD1 TRP A 37 -8.495 0.986 -0.465 1.00 0.00 C ATOM 598 CD2 TRP A 37 -7.133 1.946 1.031 1.00 0.00 C ATOM 599 NE1 TRP A 37 -9.276 1.541 0.519 1.00 0.00 N ATOM 600 CE2 TRP A 37 -8.464 2.136 1.449 1.00 0.00 C ATOM 601 CE3 TRP A 37 -6.099 2.464 1.817 1.00 0.00 C ATOM 602 CZ2 TRP A 37 -8.787 2.821 2.617 1.00 0.00 C ATOM 603 CZ3 TRP A 37 -6.422 3.144 2.976 1.00 0.00 C ATOM 604 CH2 TRP A 37 -7.755 3.317 3.367 1.00 0.00 C ATOM 0 H TRP A 37 -6.068 -1.508 -2.511 1.00 0.00 H new ATOM 0 HA TRP A 37 -7.160 1.235 -2.770 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -5.615 -0.167 -0.615 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -5.206 1.508 -0.930 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -8.870 0.452 -1.326 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -10.295 1.515 0.552 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.068 2.335 1.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -9.815 2.956 2.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.632 3.549 3.591 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -7.974 3.853 4.279 1.00 0.00 H new ATOM 615 N SER A 38 -4.884 2.224 -3.519 1.00 0.00 N ATOM 616 CA SER A 38 -3.758 2.697 -4.318 1.00 0.00 C ATOM 617 C SER A 38 -2.780 3.493 -3.460 1.00 0.00 C ATOM 618 O SER A 38 -3.154 4.048 -2.427 1.00 0.00 O ATOM 619 CB SER A 38 -4.256 3.561 -5.478 1.00 0.00 C ATOM 620 OG SER A 38 -3.188 3.935 -6.330 1.00 0.00 O ATOM 0 H SER A 38 -5.450 2.966 -3.107 1.00 0.00 H new ATOM 0 HA SER A 38 -3.238 1.827 -4.719 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.006 3.012 -6.048 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.744 4.454 -5.087 1.00 0.00 H new ATOM 0 HG SER A 38 -3.533 4.485 -7.064 1.00 0.00 H new ATOM 626 N GLY A 39 -1.526 3.546 -3.896 1.00 0.00 N ATOM 627 CA GLY A 39 -0.514 4.278 -3.157 1.00 0.00 C ATOM 628 C GLY A 39 0.654 4.694 -4.028 1.00 0.00 C ATOM 629 O GLY A 39 0.720 4.334 -5.204 1.00 0.00 O ATOM 0 H GLY A 39 -1.192 3.095 -4.748 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.965 5.165 -2.711 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.149 3.660 -2.337 1.00 0.00 H new ATOM 633 N THR A 40 1.577 5.456 -3.451 1.00 0.00 N ATOM 634 CA THR A 40 2.750 5.924 -4.182 1.00 0.00 C ATOM 635 C THR A 40 4.008 5.788 -3.331 1.00 0.00 C ATOM 636 O THR A 40 3.932 5.558 -2.124 1.00 0.00 O ATOM 637 CB THR A 40 2.562 7.380 -4.609 1.00 0.00 C ATOM 638 OG1 THR A 40 1.198 7.651 -4.880 1.00 0.00 O ATOM 639 CG2 THR A 40 3.358 7.749 -5.843 1.00 0.00 C ATOM 0 H THR A 40 1.536 5.763 -2.479 1.00 0.00 H new ATOM 0 HA THR A 40 2.866 5.305 -5.072 1.00 0.00 H new ATOM 0 HB THR A 40 2.924 7.976 -3.771 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.098 8.588 -5.150 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.179 8.795 -6.092 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.420 7.598 -5.649 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.048 7.120 -6.677 1.00 0.00 H new ATOM 647 N LEU A 41 5.166 5.933 -3.968 1.00 0.00 N ATOM 648 CA LEU A 41 6.441 5.826 -3.268 1.00 0.00 C ATOM 649 C LEU A 41 7.492 6.726 -3.912 1.00 0.00 C ATOM 650 O LEU A 41 8.116 7.548 -3.240 1.00 0.00 O ATOM 651 CB LEU A 41 6.923 4.373 -3.264 1.00 0.00 C ATOM 652 CG LEU A 41 7.245 3.803 -1.882 1.00 0.00 C ATOM 653 CD1 LEU A 41 6.009 3.164 -1.268 1.00 0.00 C ATOM 654 CD2 LEU A 41 8.379 2.793 -1.974 1.00 0.00 C ATOM 0 H LEU A 41 5.247 6.125 -4.967 1.00 0.00 H new ATOM 0 HA LEU A 41 6.293 6.153 -2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.158 3.751 -3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.814 4.300 -3.887 1.00 0.00 H new ATOM 0 HG LEU A 41 7.565 4.621 -1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.257 2.764 -0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.224 3.913 -1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.659 2.356 -1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.595 2.397 -0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.086 1.977 -2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.269 3.280 -2.372 1.00 0.00 H new ATOM 666 N ASN A 42 7.682 6.565 -5.217 1.00 0.00 N ATOM 667 CA ASN A 42 8.656 7.362 -5.952 1.00 0.00 C ATOM 668 C ASN A 42 8.441 7.229 -7.455 1.00 0.00 C ATOM 669 O ASN A 42 9.108 6.436 -8.120 1.00 0.00 O ATOM 670 CB ASN A 42 10.079 6.933 -5.587 1.00 0.00 C ATOM 671 CG ASN A 42 10.259 5.428 -5.629 1.00 0.00 C ATOM 672 OD1 ASN A 42 10.172 4.789 -4.468 1.00 0.00 O flip ATOM 673 ND2 ASN A 42 10.475 4.846 -6.692 1.00 0.00 N flip ATOM 0 H ASN A 42 7.174 5.889 -5.787 1.00 0.00 H new ATOM 0 HA ASN A 42 8.518 8.407 -5.674 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.784 7.400 -6.275 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.320 7.297 -4.588 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.534 5.377 -7.561 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.595 3.833 -6.704 1.00 0.00 H new ATOM 680 N ASN A 43 7.505 8.010 -7.985 1.00 0.00 N ATOM 681 CA ASN A 43 7.201 7.978 -9.411 1.00 0.00 C ATOM 682 C ASN A 43 6.725 6.592 -9.840 1.00 0.00 C ATOM 683 O ASN A 43 6.794 6.240 -11.017 1.00 0.00 O ATOM 684 CB ASN A 43 8.433 8.380 -10.223 1.00 0.00 C ATOM 685 CG ASN A 43 8.079 9.222 -11.433 1.00 0.00 C ATOM 686 OD1 ASN A 43 7.083 9.945 -11.431 1.00 0.00 O ATOM 687 ND2 ASN A 43 8.897 9.131 -12.476 1.00 0.00 N ATOM 0 H ASN A 43 6.944 8.672 -7.449 1.00 0.00 H new ATOM 0 HA ASN A 43 6.398 8.690 -9.601 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.119 8.937 -9.585 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.958 7.482 -10.550 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.711 9.674 -13.319 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.711 8.518 -12.433 1.00 0.00 H new ATOM 694 N LYS A 44 6.242 5.809 -8.878 1.00 0.00 N ATOM 695 CA LYS A 44 5.756 4.464 -9.160 1.00 0.00 C ATOM 696 C LYS A 44 4.349 4.268 -8.606 1.00 0.00 C ATOM 697 O LYS A 44 4.128 4.360 -7.399 1.00 0.00 O ATOM 698 CB LYS A 44 6.702 3.421 -8.563 1.00 0.00 C ATOM 699 CG LYS A 44 6.803 2.148 -9.388 1.00 0.00 C ATOM 700 CD LYS A 44 8.242 1.839 -9.769 1.00 0.00 C ATOM 701 CE LYS A 44 8.339 1.296 -11.186 1.00 0.00 C ATOM 702 NZ LYS A 44 9.679 1.545 -11.786 1.00 0.00 N ATOM 0 H LYS A 44 6.177 6.084 -7.898 1.00 0.00 H new ATOM 0 HA LYS A 44 5.723 4.336 -10.242 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.695 3.859 -8.463 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.362 3.167 -7.559 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.389 1.314 -8.822 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.201 2.251 -10.291 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.844 2.743 -9.683 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.656 1.112 -9.070 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.138 0.225 -11.179 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.572 1.760 -11.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.704 1.160 -12.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.861 2.569 -11.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.409 1.081 -11.209 1.00 0.00 H new ATOM 716 N LEU A 45 3.400 3.998 -9.496 1.00 0.00 N ATOM 717 CA LEU A 45 2.013 3.789 -9.096 1.00 0.00 C ATOM 718 C LEU A 45 1.620 2.322 -9.240 1.00 0.00 C ATOM 719 O LEU A 45 2.089 1.629 -10.143 1.00 0.00 O ATOM 720 CB LEU A 45 1.082 4.670 -9.934 1.00 0.00 C ATOM 721 CG LEU A 45 0.499 5.879 -9.197 1.00 0.00 C ATOM 722 CD1 LEU A 45 0.877 7.173 -9.902 1.00 0.00 C ATOM 723 CD2 LEU A 45 -1.014 5.757 -9.081 1.00 0.00 C ATOM 0 H LEU A 45 3.566 3.919 -10.499 1.00 0.00 H new ATOM 0 HA LEU A 45 1.915 4.067 -8.047 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.630 5.025 -10.807 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.260 4.057 -10.302 1.00 0.00 H new ATOM 0 HG LEU A 45 0.921 5.901 -8.192 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.452 8.019 -9.362 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.962 7.268 -9.930 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.487 7.160 -10.920 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.410 6.625 -8.554 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.452 5.706 -10.078 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.265 4.852 -8.528 1.00 0.00 H new ATOM 735 N GLY A 46 0.755 1.856 -8.345 1.00 0.00 N ATOM 736 CA GLY A 46 0.313 0.475 -8.389 1.00 0.00 C ATOM 737 C GLY A 46 -0.899 0.227 -7.512 1.00 0.00 C ATOM 738 O GLY A 46 -1.281 1.082 -6.714 1.00 0.00 O ATOM 0 H GLY A 46 0.352 2.411 -7.590 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.075 0.205 -9.418 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.128 -0.175 -8.070 1.00 0.00 H new ATOM 742 N LEU A 47 -1.506 -0.947 -7.661 1.00 0.00 N ATOM 743 CA LEU A 47 -2.682 -1.303 -6.876 1.00 0.00 C ATOM 744 C LEU A 47 -2.486 -2.646 -6.180 1.00 0.00 C ATOM 745 O LEU A 47 -1.724 -3.493 -6.645 1.00 0.00 O ATOM 746 CB LEU A 47 -3.925 -1.356 -7.770 1.00 0.00 C ATOM 747 CG LEU A 47 -4.098 -0.168 -8.721 1.00 0.00 C ATOM 748 CD1 LEU A 47 -3.923 1.148 -7.979 1.00 0.00 C ATOM 749 CD2 LEU A 47 -3.115 -0.265 -9.879 1.00 0.00 C ATOM 0 H LEU A 47 -1.203 -1.666 -8.317 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.823 -0.536 -6.115 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.889 -2.271 -8.361 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.807 -1.422 -7.134 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.110 -0.198 -9.124 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.050 1.978 -8.675 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.668 1.221 -7.187 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.925 1.190 -7.543 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.252 0.587 -10.545 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.096 -0.263 -9.492 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.292 -1.188 -10.430 1.00 0.00 H new ATOM 761 N PHE A 48 -3.179 -2.832 -5.061 1.00 0.00 N ATOM 762 CA PHE A 48 -3.083 -4.072 -4.298 1.00 0.00 C ATOM 763 C PHE A 48 -4.207 -4.164 -3.269 1.00 0.00 C ATOM 764 O PHE A 48 -4.860 -3.167 -2.961 1.00 0.00 O ATOM 765 CB PHE A 48 -1.723 -4.176 -3.598 1.00 0.00 C ATOM 766 CG PHE A 48 -1.078 -2.849 -3.306 1.00 0.00 C ATOM 767 CD1 PHE A 48 -1.821 -1.800 -2.787 1.00 0.00 C ATOM 768 CD2 PHE A 48 0.271 -2.652 -3.551 1.00 0.00 C ATOM 769 CE1 PHE A 48 -1.229 -0.581 -2.518 1.00 0.00 C ATOM 770 CE2 PHE A 48 0.868 -1.435 -3.284 1.00 0.00 C ATOM 771 CZ PHE A 48 0.117 -0.398 -2.767 1.00 0.00 C ATOM 0 H PHE A 48 -3.813 -2.140 -4.662 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.181 -4.902 -4.997 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.849 -4.720 -2.662 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.050 -4.765 -4.221 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.874 -1.937 -2.591 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.863 -3.459 -3.956 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.819 0.228 -2.113 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.921 -1.295 -3.479 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.581 0.554 -2.558 1.00 0.00 H new ATOM 781 N PRO A 49 -4.450 -5.368 -2.721 1.00 0.00 N ATOM 782 CA PRO A 49 -5.502 -5.584 -1.723 1.00 0.00 C ATOM 783 C PRO A 49 -5.318 -4.705 -0.490 1.00 0.00 C ATOM 784 O PRO A 49 -4.279 -4.750 0.168 1.00 0.00 O ATOM 785 CB PRO A 49 -5.361 -7.067 -1.351 1.00 0.00 C ATOM 786 CG PRO A 49 -4.006 -7.466 -1.829 1.00 0.00 C ATOM 787 CD PRO A 49 -3.723 -6.610 -3.028 1.00 0.00 C ATOM 0 HA PRO A 49 -6.486 -5.328 -2.115 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.457 -7.213 -0.275 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.138 -7.667 -1.825 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.257 -7.310 -1.053 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.980 -8.524 -2.090 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.655 -6.433 -3.155 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.081 -7.072 -3.948 1.00 0.00 H new ATOM 795 N SER A 50 -6.335 -3.906 -0.185 1.00 0.00 N ATOM 796 CA SER A 50 -6.289 -3.014 0.968 1.00 0.00 C ATOM 797 C SER A 50 -6.211 -3.803 2.273 1.00 0.00 C ATOM 798 O SER A 50 -5.798 -3.272 3.304 1.00 0.00 O ATOM 799 CB SER A 50 -7.519 -2.105 0.983 1.00 0.00 C ATOM 800 OG SER A 50 -7.500 -1.238 2.103 1.00 0.00 O ATOM 0 H SER A 50 -7.202 -3.858 -0.721 1.00 0.00 H new ATOM 0 HA SER A 50 -5.391 -2.403 0.883 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.552 -1.518 0.065 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.424 -2.713 1.005 1.00 0.00 H new ATOM 0 HG SER A 50 -7.403 -0.312 1.798 1.00 0.00 H new ATOM 806 N ASN A 51 -6.610 -5.071 2.225 1.00 0.00 N ATOM 807 CA ASN A 51 -6.583 -5.923 3.407 1.00 0.00 C ATOM 808 C ASN A 51 -5.157 -6.102 3.922 1.00 0.00 C ATOM 809 O ASN A 51 -4.943 -6.338 5.111 1.00 0.00 O ATOM 810 CB ASN A 51 -7.201 -7.289 3.096 1.00 0.00 C ATOM 811 CG ASN A 51 -6.691 -7.876 1.794 1.00 0.00 C ATOM 812 OD1 ASN A 51 -7.342 -7.769 0.755 1.00 0.00 O ATOM 813 ND2 ASN A 51 -5.520 -8.501 1.845 1.00 0.00 N ATOM 0 H ASN A 51 -6.955 -5.529 1.382 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.171 -5.435 4.184 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.981 -7.978 3.912 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.285 -7.190 3.046 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.126 -8.916 1.001 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.015 -8.566 2.729 1.00 0.00 H new ATOM 820 N PHE A 52 -4.185 -5.986 3.022 1.00 0.00 N ATOM 821 CA PHE A 52 -2.783 -6.133 3.393 1.00 0.00 C ATOM 822 C PHE A 52 -2.300 -4.916 4.181 1.00 0.00 C ATOM 823 O PHE A 52 -2.300 -4.936 5.411 1.00 0.00 O ATOM 824 CB PHE A 52 -1.920 -6.338 2.144 1.00 0.00 C ATOM 825 CG PHE A 52 -1.476 -7.760 1.947 1.00 0.00 C ATOM 826 CD1 PHE A 52 -2.292 -8.669 1.293 1.00 0.00 C ATOM 827 CD2 PHE A 52 -0.244 -8.186 2.415 1.00 0.00 C ATOM 828 CE1 PHE A 52 -1.887 -9.977 1.109 1.00 0.00 C ATOM 829 CE2 PHE A 52 0.167 -9.493 2.235 1.00 0.00 C ATOM 830 CZ PHE A 52 -0.656 -10.390 1.581 1.00 0.00 C ATOM 0 H PHE A 52 -4.343 -5.791 2.033 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.688 -7.012 4.031 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.482 -6.017 1.267 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.041 -5.697 2.211 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.256 -8.351 0.923 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.403 -7.489 2.927 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.532 -10.676 0.597 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.130 -9.813 2.605 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.337 -11.412 1.439 1.00 0.00 H new ATOM 840 N VAL A 53 -1.888 -3.868 3.454 1.00 0.00 N ATOM 841 CA VAL A 53 -1.396 -2.611 4.044 1.00 0.00 C ATOM 842 C VAL A 53 -1.763 -2.447 5.518 1.00 0.00 C ATOM 843 O VAL A 53 -2.845 -2.846 5.950 1.00 0.00 O ATOM 844 CB VAL A 53 -1.928 -1.393 3.267 1.00 0.00 C ATOM 845 CG1 VAL A 53 -1.296 -1.322 1.886 1.00 0.00 C ATOM 846 CG2 VAL A 53 -3.445 -1.446 3.166 1.00 0.00 C ATOM 0 H VAL A 53 -1.886 -3.867 2.434 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.310 -2.664 3.974 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.654 -0.490 3.812 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.685 -0.455 1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.214 -1.232 1.985 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.536 -2.228 1.329 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.803 -0.577 2.614 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.743 -2.356 2.645 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.877 -1.443 4.167 1.00 0.00 H new ATOM 856 N LYS A 54 -0.867 -1.831 6.283 1.00 0.00 N ATOM 857 CA LYS A 54 -1.113 -1.601 7.700 1.00 0.00 C ATOM 858 C LYS A 54 -0.957 -0.128 8.060 1.00 0.00 C ATOM 859 O LYS A 54 0.129 0.439 7.944 1.00 0.00 O ATOM 860 CB LYS A 54 -0.179 -2.452 8.562 1.00 0.00 C ATOM 861 CG LYS A 54 -0.845 -3.002 9.813 1.00 0.00 C ATOM 862 CD LYS A 54 -0.529 -2.152 11.032 1.00 0.00 C ATOM 863 CE LYS A 54 0.824 -2.512 11.626 1.00 0.00 C ATOM 864 NZ LYS A 54 1.283 -1.501 12.617 1.00 0.00 N ATOM 0 H LYS A 54 0.031 -1.484 5.946 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.143 -1.895 7.902 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.198 -3.283 7.965 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.683 -1.851 8.853 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.924 -3.040 9.665 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.510 -4.025 9.985 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.537 -1.098 10.754 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.306 -2.289 11.784 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.761 -3.488 12.106 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.560 -2.597 10.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.209 -1.784 12.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.368 -0.574 12.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.594 -1.438 13.393 1.00 0.00 H new ATOM 878 N GLU A 55 -2.049 0.486 8.503 1.00 0.00 N ATOM 879 CA GLU A 55 -2.034 1.894 8.884 1.00 0.00 C ATOM 880 C GLU A 55 -1.297 2.091 10.205 1.00 0.00 C ATOM 881 O GLU A 55 -1.484 1.326 11.151 1.00 0.00 O ATOM 882 CB GLU A 55 -3.463 2.429 9.001 1.00 0.00 C ATOM 883 CG GLU A 55 -4.390 1.945 7.897 1.00 0.00 C ATOM 884 CD GLU A 55 -5.530 2.907 7.628 1.00 0.00 C ATOM 885 OE1 GLU A 55 -5.410 4.091 8.008 1.00 0.00 O ATOM 886 OE2 GLU A 55 -6.543 2.477 7.037 1.00 0.00 O ATOM 0 H GLU A 55 -2.956 0.031 8.607 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.508 2.449 8.107 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.875 2.132 9.965 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.436 3.519 8.988 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.815 1.804 6.982 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.798 0.972 8.171 1.00 0.00 H new ATOM 893 N LEU A 56 -0.458 3.121 10.263 1.00 0.00 N ATOM 894 CA LEU A 56 0.306 3.417 11.469 1.00 0.00 C ATOM 895 C LEU A 56 -0.057 4.793 12.019 1.00 0.00 C ATOM 896 O LEU A 56 0.101 5.806 11.338 1.00 0.00 O ATOM 897 CB LEU A 56 1.807 3.353 11.178 1.00 0.00 C ATOM 898 CG LEU A 56 2.271 4.180 9.978 1.00 0.00 C ATOM 899 CD1 LEU A 56 3.721 4.604 10.151 1.00 0.00 C ATOM 900 CD2 LEU A 56 2.093 3.393 8.689 1.00 0.00 C ATOM 0 H LEU A 56 -0.290 3.764 9.489 1.00 0.00 H new ATOM 0 HA LEU A 56 0.056 2.667 12.219 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.348 3.690 12.063 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.085 2.312 11.012 1.00 0.00 H new ATOM 0 HG LEU A 56 1.656 5.078 9.920 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.034 5.191 9.288 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.819 5.206 11.054 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.351 3.719 10.235 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.428 3.996 7.845 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.683 2.477 8.737 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.041 3.140 8.559 1.00 0.00 H new