USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 473 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 MET CE :methyl -134:sc= -0.341 (180deg=-1.44!) USER MOD Single : A 7 LYS NZ :NH3+ -168:sc= 1.26 (180deg=1.16) USER MOD Single : A 11 THR OG1 : rot 75:sc= 1.27 USER MOD Single : A 12 MET CE :methyl 139:sc= -0.105 (180deg=-2.12!) USER MOD Single : A 14 LYS NZ :NH3+ -158:sc= -1.32 (180deg=-1.91) USER MOD Single : A 16 ASN : amide:sc= 0.33 K(o=0.33,f=-5!) USER MOD Single : A 17 GLN : amide:sc= -0.554 K(o=-0.55,f=-4.2!) USER MOD Single : A 20 SER OG : rot 9:sc= 0.602 USER MOD Single : A 21 THR OG1 : rot -113:sc= 1.08 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -119:sc= 0.379 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl -140:sc= -0.32 (180deg=-1.08) USER MOD Single : A 48 LYS NZ :NH3+ -159:sc= -1.14! (180deg=-1.66!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -175:sc= -3.51! (180deg=-3.79!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.825 USER MOD Single : A 57 SER OG : rot -46:sc= 0.513 USER MOD Single : A 58 ASN : amide:sc= -0.0746 X(o=-0.075,f=-0.09) USER MOD ----------------------------------------------------------------- ATOM 20 N MET A 3 -8.616 -4.434 8.165 1.00 0.00 N ATOM 21 CA MET A 3 -8.245 -3.332 9.040 1.00 0.00 C ATOM 22 C MET A 3 -6.862 -3.563 9.622 1.00 0.00 C ATOM 23 O MET A 3 -6.020 -2.667 9.611 1.00 0.00 O ATOM 24 CB MET A 3 -9.274 -3.154 10.158 1.00 0.00 C ATOM 25 CG MET A 3 -10.625 -2.633 9.684 1.00 0.00 C ATOM 26 SD MET A 3 -10.545 -0.967 8.983 1.00 0.00 S ATOM 27 CE MET A 3 -10.354 -1.310 7.231 1.00 0.00 C ATOM 0 HA MET A 3 -8.226 -2.417 8.448 1.00 0.00 H new ATOM 0 HB2 MET A 3 -9.421 -4.112 10.657 1.00 0.00 H new ATOM 0 HB3 MET A 3 -8.872 -2.465 10.901 1.00 0.00 H new ATOM 0 HG2 MET A 3 -11.027 -3.316 8.935 1.00 0.00 H new ATOM 0 HG3 MET A 3 -11.321 -2.634 10.523 1.00 0.00 H new ATOM 0 HE1 MET A 3 -9.564 -0.680 6.821 1.00 0.00 H new ATOM 0 HE2 MET A 3 -10.091 -2.359 7.092 1.00 0.00 H new ATOM 0 HE3 MET A 3 -11.291 -1.099 6.715 1.00 0.00 H new ATOM 37 N GLU A 4 -6.619 -4.776 10.103 1.00 0.00 N ATOM 38 CA GLU A 4 -5.311 -5.141 10.605 1.00 0.00 C ATOM 39 C GLU A 4 -4.330 -5.188 9.443 1.00 0.00 C ATOM 40 O GLU A 4 -3.160 -4.819 9.575 1.00 0.00 O ATOM 41 CB GLU A 4 -5.377 -6.487 11.303 1.00 0.00 C ATOM 42 CG GLU A 4 -4.171 -6.770 12.168 1.00 0.00 C ATOM 43 CD GLU A 4 -4.127 -8.196 12.677 1.00 0.00 C ATOM 44 OE1 GLU A 4 -5.181 -8.707 13.113 1.00 0.00 O ATOM 45 OE2 GLU A 4 -3.038 -8.802 12.662 1.00 0.00 O ATOM 0 H GLU A 4 -7.315 -5.520 10.154 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.974 -4.400 11.330 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.275 -6.525 11.920 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.471 -7.273 10.554 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.265 -6.566 11.597 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.172 -6.087 13.018 1.00 0.00 H new ATOM 52 N ALA A 5 -4.834 -5.619 8.293 1.00 0.00 N ATOM 53 CA ALA A 5 -4.056 -5.629 7.066 1.00 0.00 C ATOM 54 C ALA A 5 -3.693 -4.207 6.656 1.00 0.00 C ATOM 55 O ALA A 5 -2.571 -3.944 6.229 1.00 0.00 O ATOM 56 CB ALA A 5 -4.827 -6.323 5.957 1.00 0.00 C ATOM 0 H ALA A 5 -5.786 -5.968 8.187 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.134 -6.182 7.243 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.231 -6.322 5.044 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.040 -7.351 6.250 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.764 -5.794 5.779 1.00 0.00 H new ATOM 62 N GLU A 6 -4.655 -3.295 6.799 1.00 0.00 N ATOM 63 CA GLU A 6 -4.426 -1.882 6.516 1.00 0.00 C ATOM 64 C GLU A 6 -3.281 -1.360 7.366 1.00 0.00 C ATOM 65 O GLU A 6 -2.390 -0.679 6.869 1.00 0.00 O ATOM 66 CB GLU A 6 -5.677 -1.065 6.825 1.00 0.00 C ATOM 67 CG GLU A 6 -5.546 0.398 6.445 1.00 0.00 C ATOM 68 CD GLU A 6 -6.677 1.257 6.975 1.00 0.00 C ATOM 69 OE1 GLU A 6 -7.729 1.352 6.310 1.00 0.00 O ATOM 70 OE2 GLU A 6 -6.512 1.854 8.063 1.00 0.00 O ATOM 0 H GLU A 6 -5.602 -3.513 7.110 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.180 -1.783 5.459 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -6.525 -1.497 6.294 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.897 -1.139 7.890 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.599 0.782 6.824 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.512 0.483 5.359 1.00 0.00 H new ATOM 77 N LYS A 7 -3.327 -1.683 8.654 1.00 0.00 N ATOM 78 CA LYS A 7 -2.296 -1.254 9.598 1.00 0.00 C ATOM 79 C LYS A 7 -0.909 -1.633 9.082 1.00 0.00 C ATOM 80 O LYS A 7 -0.017 -0.786 8.980 1.00 0.00 O ATOM 81 CB LYS A 7 -2.516 -1.875 10.983 1.00 0.00 C ATOM 82 CG LYS A 7 -3.877 -1.608 11.621 1.00 0.00 C ATOM 83 CD LYS A 7 -4.219 -0.131 11.697 1.00 0.00 C ATOM 84 CE LYS A 7 -4.874 0.319 10.411 1.00 0.00 C ATOM 85 NZ LYS A 7 -5.120 1.783 10.372 1.00 0.00 N ATOM 0 H LYS A 7 -4.070 -2.243 9.072 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.364 -0.170 9.690 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.378 -2.953 10.903 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.742 -1.504 11.654 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.648 -2.124 11.049 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.890 -2.030 12.626 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.888 0.052 12.538 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.315 0.451 11.876 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.241 0.039 9.569 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.820 -0.207 10.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.745 2.009 9.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.571 2.083 11.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.216 2.284 10.257 1.00 0.00 H new ATOM 99 N GLU A 8 -0.743 -2.905 8.736 1.00 0.00 N ATOM 100 CA GLU A 8 0.518 -3.398 8.190 1.00 0.00 C ATOM 101 C GLU A 8 0.853 -2.729 6.866 1.00 0.00 C ATOM 102 O GLU A 8 2.008 -2.405 6.599 1.00 0.00 O ATOM 103 CB GLU A 8 0.465 -4.914 8.004 1.00 0.00 C ATOM 104 CG GLU A 8 0.656 -5.687 9.293 1.00 0.00 C ATOM 105 CD GLU A 8 1.962 -5.338 9.975 1.00 0.00 C ATOM 106 OE1 GLU A 8 3.029 -5.748 9.473 1.00 0.00 O ATOM 107 OE2 GLU A 8 1.928 -4.641 11.005 1.00 0.00 O ATOM 0 H GLU A 8 -1.469 -3.616 8.824 1.00 0.00 H new ATOM 0 HA GLU A 8 1.302 -3.150 8.905 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.495 -5.185 7.566 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.235 -5.212 7.293 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.173 -5.476 9.968 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.632 -6.756 9.082 1.00 0.00 H new ATOM 114 N PHE A 9 -0.165 -2.518 6.052 1.00 0.00 N ATOM 115 CA PHE A 9 -0.011 -1.910 4.736 1.00 0.00 C ATOM 116 C PHE A 9 0.512 -0.480 4.866 1.00 0.00 C ATOM 117 O PHE A 9 1.380 -0.060 4.110 1.00 0.00 O ATOM 118 CB PHE A 9 -1.380 -1.926 4.048 1.00 0.00 C ATOM 119 CG PHE A 9 -1.373 -1.703 2.557 1.00 0.00 C ATOM 120 CD1 PHE A 9 -1.211 -0.434 2.017 1.00 0.00 C ATOM 121 CD2 PHE A 9 -1.577 -2.770 1.700 1.00 0.00 C ATOM 122 CE1 PHE A 9 -1.247 -0.242 0.645 1.00 0.00 C ATOM 123 CE2 PHE A 9 -1.623 -2.582 0.333 1.00 0.00 C ATOM 124 CZ PHE A 9 -1.458 -1.319 -0.196 1.00 0.00 C ATOM 0 H PHE A 9 -1.128 -2.763 6.283 1.00 0.00 H new ATOM 0 HA PHE A 9 0.712 -2.470 4.143 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -1.855 -2.886 4.250 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.004 -1.159 4.507 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -1.056 0.411 2.672 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.702 -3.763 2.106 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.110 0.747 0.233 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.788 -3.424 -0.322 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.494 -1.172 -1.265 1.00 0.00 H new ATOM 134 N ILE A 10 0.019 0.244 5.865 1.00 0.00 N ATOM 135 CA ILE A 10 0.451 1.616 6.094 1.00 0.00 C ATOM 136 C ILE A 10 1.850 1.634 6.698 1.00 0.00 C ATOM 137 O ILE A 10 2.679 2.478 6.360 1.00 0.00 O ATOM 138 CB ILE A 10 -0.520 2.354 7.039 1.00 0.00 C ATOM 139 CG1 ILE A 10 -1.935 2.334 6.465 1.00 0.00 C ATOM 140 CG2 ILE A 10 -0.064 3.787 7.283 1.00 0.00 C ATOM 141 CD1 ILE A 10 -2.078 3.066 5.144 1.00 0.00 C ATOM 0 H ILE A 10 -0.678 -0.096 6.527 1.00 0.00 H new ATOM 0 HA ILE A 10 0.460 2.127 5.131 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.522 1.834 7.997 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.246 1.298 6.330 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.616 2.779 7.190 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.767 4.283 7.952 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.927 3.781 7.737 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.026 4.323 6.335 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.112 3.005 4.804 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.800 4.112 5.276 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.425 2.608 4.402 1.00 0.00 H new ATOM 153 N THR A 11 2.117 0.671 7.566 1.00 0.00 N ATOM 154 CA THR A 11 3.437 0.520 8.162 1.00 0.00 C ATOM 155 C THR A 11 4.469 0.184 7.086 1.00 0.00 C ATOM 156 O THR A 11 5.605 0.650 7.116 1.00 0.00 O ATOM 157 CB THR A 11 3.425 -0.574 9.251 1.00 0.00 C ATOM 158 OG1 THR A 11 2.376 -0.303 10.189 1.00 0.00 O ATOM 159 CG2 THR A 11 4.753 -0.636 9.987 1.00 0.00 C ATOM 0 H THR A 11 1.434 -0.021 7.875 1.00 0.00 H new ATOM 0 HA THR A 11 3.711 1.466 8.630 1.00 0.00 H new ATOM 0 HB THR A 11 3.257 -1.535 8.765 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.512 -0.532 9.788 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.712 -1.416 10.747 1.00 0.00 H new ATOM 0 HG22 THR A 11 5.551 -0.861 9.279 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.950 0.324 10.463 1.00 0.00 H new ATOM 167 N MET A 12 4.023 -0.576 6.103 1.00 0.00 N ATOM 168 CA MET A 12 4.852 -0.989 4.993 1.00 0.00 C ATOM 169 C MET A 12 5.029 0.177 4.039 1.00 0.00 C ATOM 170 O MET A 12 6.068 0.324 3.396 1.00 0.00 O ATOM 171 CB MET A 12 4.197 -2.191 4.296 1.00 0.00 C ATOM 172 CG MET A 12 4.658 -2.432 2.870 1.00 0.00 C ATOM 173 SD MET A 12 4.044 -3.986 2.193 1.00 0.00 S ATOM 174 CE MET A 12 2.287 -3.653 2.129 1.00 0.00 C ATOM 0 H MET A 12 3.066 -0.926 6.055 1.00 0.00 H new ATOM 0 HA MET A 12 5.838 -1.293 5.345 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.398 -3.087 4.884 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.117 -2.047 4.294 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.322 -1.608 2.240 1.00 0.00 H new ATOM 0 HG3 MET A 12 5.748 -2.433 2.840 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.875 -4.049 1.201 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.795 -4.130 2.977 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.119 -2.577 2.171 1.00 0.00 H new ATOM 184 N LEU A 13 4.018 1.030 3.981 1.00 0.00 N ATOM 185 CA LEU A 13 4.066 2.196 3.125 1.00 0.00 C ATOM 186 C LEU A 13 5.065 3.223 3.653 1.00 0.00 C ATOM 187 O LEU A 13 5.794 3.845 2.878 1.00 0.00 O ATOM 188 CB LEU A 13 2.678 2.821 2.975 1.00 0.00 C ATOM 189 CG LEU A 13 1.751 2.149 1.950 1.00 0.00 C ATOM 190 CD1 LEU A 13 1.364 3.148 0.880 1.00 0.00 C ATOM 191 CD2 LEU A 13 2.408 0.934 1.303 1.00 0.00 C ATOM 0 H LEU A 13 3.156 0.933 4.518 1.00 0.00 H new ATOM 0 HA LEU A 13 4.402 1.873 2.140 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.186 2.805 3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.799 3.868 2.696 1.00 0.00 H new ATOM 0 HG LEU A 13 0.862 1.806 2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.707 2.668 0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.845 3.990 1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.261 3.506 0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.720 0.488 0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.318 1.243 0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.656 0.202 2.072 1.00 0.00 H new ATOM 203 N LYS A 14 5.124 3.379 4.973 1.00 0.00 N ATOM 204 CA LYS A 14 6.103 4.277 5.581 1.00 0.00 C ATOM 205 C LYS A 14 7.502 3.682 5.488 1.00 0.00 C ATOM 206 O LYS A 14 8.486 4.407 5.329 1.00 0.00 O ATOM 207 CB LYS A 14 5.751 4.599 7.042 1.00 0.00 C ATOM 208 CG LYS A 14 4.719 5.710 7.188 1.00 0.00 C ATOM 209 CD LYS A 14 3.349 5.191 7.578 1.00 0.00 C ATOM 210 CE LYS A 14 3.182 5.027 9.088 1.00 0.00 C ATOM 211 NZ LYS A 14 4.107 4.023 9.680 1.00 0.00 N ATOM 0 H LYS A 14 4.513 2.902 5.636 1.00 0.00 H new ATOM 0 HA LYS A 14 6.080 5.214 5.024 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.373 3.697 7.523 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.659 4.886 7.571 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.061 6.421 7.940 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.642 6.254 6.247 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.587 5.876 7.206 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.178 4.230 7.092 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.346 5.990 9.571 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.154 4.734 9.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.720 3.685 10.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.213 3.221 9.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.036 4.461 9.843 1.00 0.00 H new ATOM 225 N GLU A 15 7.583 2.357 5.568 1.00 0.00 N ATOM 226 CA GLU A 15 8.840 1.649 5.427 1.00 0.00 C ATOM 227 C GLU A 15 9.403 1.785 4.017 1.00 0.00 C ATOM 228 O GLU A 15 10.613 1.706 3.801 1.00 0.00 O ATOM 229 CB GLU A 15 8.619 0.184 5.754 1.00 0.00 C ATOM 230 CG GLU A 15 8.725 -0.148 7.223 1.00 0.00 C ATOM 231 CD GLU A 15 8.694 -1.639 7.477 1.00 0.00 C ATOM 232 OE1 GLU A 15 9.770 -2.273 7.444 1.00 0.00 O ATOM 233 OE2 GLU A 15 7.597 -2.188 7.700 1.00 0.00 O ATOM 0 H GLU A 15 6.779 1.751 5.732 1.00 0.00 H new ATOM 0 HA GLU A 15 9.564 2.085 6.116 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.632 -0.111 5.397 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.348 -0.413 5.205 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.651 0.267 7.621 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.905 0.327 7.761 1.00 0.00 H new ATOM 240 N ASN A 16 8.515 1.991 3.054 1.00 0.00 N ATOM 241 CA ASN A 16 8.915 2.080 1.657 1.00 0.00 C ATOM 242 C ASN A 16 8.959 3.516 1.175 1.00 0.00 C ATOM 243 O ASN A 16 9.025 3.771 -0.027 1.00 0.00 O ATOM 244 CB ASN A 16 7.983 1.250 0.781 1.00 0.00 C ATOM 245 CG ASN A 16 8.363 -0.209 0.799 1.00 0.00 C ATOM 246 OD1 ASN A 16 9.149 -0.660 -0.026 1.00 0.00 O ATOM 247 ND2 ASN A 16 7.818 -0.953 1.745 1.00 0.00 N ATOM 0 H ASN A 16 7.514 2.100 3.215 1.00 0.00 H new ATOM 0 HA ASN A 16 9.925 1.677 1.578 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.957 1.364 1.129 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.016 1.623 -0.243 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.047 -1.945 1.809 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.168 -0.536 2.411 1.00 0.00 H new ATOM 254 N GLN A 17 8.935 4.451 2.126 1.00 0.00 N ATOM 255 CA GLN A 17 9.067 5.868 1.826 1.00 0.00 C ATOM 256 C GLN A 17 8.045 6.327 0.785 1.00 0.00 C ATOM 257 O GLN A 17 8.314 7.235 -0.003 1.00 0.00 O ATOM 258 CB GLN A 17 10.482 6.127 1.341 1.00 0.00 C ATOM 259 CG GLN A 17 11.505 6.088 2.457 1.00 0.00 C ATOM 260 CD GLN A 17 11.485 7.330 3.324 1.00 0.00 C ATOM 261 OE1 GLN A 17 10.447 7.959 3.508 1.00 0.00 O ATOM 262 NE2 GLN A 17 12.639 7.694 3.858 1.00 0.00 N ATOM 0 H GLN A 17 8.824 4.244 3.119 1.00 0.00 H new ATOM 0 HA GLN A 17 8.870 6.442 2.731 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.744 5.383 0.589 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.521 7.101 0.854 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.320 5.213 3.081 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.499 5.968 2.027 1.00 0.00 H new ATOM 0 HE21 GLN A 17 13.479 7.144 3.680 1.00 0.00 H new ATOM 0 HE22 GLN A 17 12.689 8.525 4.447 1.00 0.00 H new ATOM 271 N VAL A 18 6.881 5.691 0.790 1.00 0.00 N ATOM 272 CA VAL A 18 5.875 5.922 -0.237 1.00 0.00 C ATOM 273 C VAL A 18 5.300 7.333 -0.154 1.00 0.00 C ATOM 274 O VAL A 18 5.006 7.842 0.932 1.00 0.00 O ATOM 275 CB VAL A 18 4.728 4.890 -0.149 1.00 0.00 C ATOM 276 CG1 VAL A 18 3.681 5.149 -1.222 1.00 0.00 C ATOM 277 CG2 VAL A 18 5.270 3.472 -0.266 1.00 0.00 C ATOM 0 H VAL A 18 6.610 5.008 1.498 1.00 0.00 H new ATOM 0 HA VAL A 18 6.378 5.806 -1.197 1.00 0.00 H new ATOM 0 HB VAL A 18 4.252 4.998 0.825 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.884 4.410 -1.139 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.264 6.148 -1.090 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.143 5.076 -2.206 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.446 2.761 -0.202 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.777 3.354 -1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.975 3.284 0.543 1.00 0.00 H new ATOM 287 N ASP A 19 5.163 7.963 -1.308 1.00 0.00 N ATOM 288 CA ASP A 19 4.543 9.272 -1.407 1.00 0.00 C ATOM 289 C ASP A 19 4.043 9.486 -2.825 1.00 0.00 C ATOM 290 O ASP A 19 3.869 8.526 -3.574 1.00 0.00 O ATOM 291 CB ASP A 19 5.517 10.392 -1.014 1.00 0.00 C ATOM 292 CG ASP A 19 6.592 10.657 -2.052 1.00 0.00 C ATOM 293 OD1 ASP A 19 7.636 9.979 -2.028 1.00 0.00 O ATOM 294 OD2 ASP A 19 6.396 11.555 -2.897 1.00 0.00 O ATOM 0 H ASP A 19 5.478 7.582 -2.200 1.00 0.00 H new ATOM 0 HA ASP A 19 3.706 9.308 -0.710 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.953 11.309 -0.845 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.993 10.132 -0.069 1.00 0.00 H new ATOM 299 N SER A 20 3.829 10.736 -3.186 1.00 0.00 N ATOM 300 CA SER A 20 3.351 11.097 -4.514 1.00 0.00 C ATOM 301 C SER A 20 4.258 10.541 -5.627 1.00 0.00 C ATOM 302 O SER A 20 3.816 10.345 -6.757 1.00 0.00 O ATOM 303 CB SER A 20 3.268 12.618 -4.611 1.00 0.00 C ATOM 304 OG SER A 20 4.416 13.227 -4.030 1.00 0.00 O ATOM 0 H SER A 20 3.981 11.534 -2.569 1.00 0.00 H new ATOM 0 HA SER A 20 2.365 10.654 -4.657 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.183 12.916 -5.656 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.369 12.970 -4.105 1.00 0.00 H new ATOM 0 HG SER A 20 5.082 12.539 -3.823 1.00 0.00 H new ATOM 310 N THR A 21 5.526 10.285 -5.300 1.00 0.00 N ATOM 311 CA THR A 21 6.491 9.771 -6.272 1.00 0.00 C ATOM 312 C THR A 21 6.188 8.321 -6.671 1.00 0.00 C ATOM 313 O THR A 21 6.772 7.788 -7.617 1.00 0.00 O ATOM 314 CB THR A 21 7.929 9.845 -5.720 1.00 0.00 C ATOM 315 OG1 THR A 21 8.018 9.125 -4.481 1.00 0.00 O ATOM 316 CG2 THR A 21 8.358 11.290 -5.509 1.00 0.00 C ATOM 0 H THR A 21 5.909 10.426 -4.365 1.00 0.00 H new ATOM 0 HA THR A 21 6.404 10.404 -7.155 1.00 0.00 H new ATOM 0 HB THR A 21 8.598 9.391 -6.451 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.186 9.754 -3.748 1.00 0.00 H new ATOM 0 HG21 THR A 21 9.376 11.314 -5.119 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.320 11.823 -6.459 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.685 11.769 -4.797 1.00 0.00 H new ATOM 324 N TRP A 22 5.284 7.682 -5.943 1.00 0.00 N ATOM 325 CA TRP A 22 4.897 6.311 -6.234 1.00 0.00 C ATOM 326 C TRP A 22 3.636 6.270 -7.092 1.00 0.00 C ATOM 327 O TRP A 22 2.669 6.990 -6.839 1.00 0.00 O ATOM 328 CB TRP A 22 4.642 5.534 -4.943 1.00 0.00 C ATOM 329 CG TRP A 22 5.864 4.963 -4.281 1.00 0.00 C ATOM 330 CD1 TRP A 22 6.949 5.635 -3.795 1.00 0.00 C ATOM 331 CD2 TRP A 22 6.097 3.580 -4.005 1.00 0.00 C ATOM 332 NE1 TRP A 22 7.840 4.744 -3.237 1.00 0.00 N ATOM 333 CE2 TRP A 22 7.333 3.477 -3.354 1.00 0.00 C ATOM 334 CE3 TRP A 22 5.375 2.418 -4.250 1.00 0.00 C ATOM 335 CZ2 TRP A 22 7.848 2.247 -2.943 1.00 0.00 C ATOM 336 CZ3 TRP A 22 5.879 1.213 -3.846 1.00 0.00 C ATOM 337 CH2 TRP A 22 7.100 1.132 -3.198 1.00 0.00 C ATOM 0 H TRP A 22 4.803 8.094 -5.143 1.00 0.00 H new ATOM 0 HA TRP A 22 5.720 5.850 -6.780 1.00 0.00 H new ATOM 0 HB2 TRP A 22 4.141 6.194 -4.235 1.00 0.00 H new ATOM 0 HB3 TRP A 22 3.953 4.718 -5.160 1.00 0.00 H new ATOM 0 HD1 TRP A 22 7.088 6.705 -3.841 1.00 0.00 H new ATOM 0 HE1 TRP A 22 8.732 4.988 -2.807 1.00 0.00 H new ATOM 0 HE3 TRP A 22 4.422 2.467 -4.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 8.802 2.179 -2.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 5.316 0.311 -4.035 1.00 0.00 H new ATOM 0 HH2 TRP A 22 7.470 0.166 -2.887 1.00 0.00 H new ATOM 348 N SER A 23 3.673 5.446 -8.121 1.00 0.00 N ATOM 349 CA SER A 23 2.486 5.111 -8.891 1.00 0.00 C ATOM 350 C SER A 23 2.074 3.690 -8.517 1.00 0.00 C ATOM 351 O SER A 23 2.851 2.981 -7.866 1.00 0.00 O ATOM 352 CB SER A 23 2.800 5.210 -10.380 1.00 0.00 C ATOM 353 OG SER A 23 3.581 6.364 -10.658 1.00 0.00 O ATOM 0 H SER A 23 4.524 4.989 -8.448 1.00 0.00 H new ATOM 0 HA SER A 23 1.670 5.800 -8.672 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.335 4.317 -10.703 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.872 5.248 -10.950 1.00 0.00 H new ATOM 0 HG SER A 23 3.772 6.406 -11.618 1.00 0.00 H new ATOM 359 N PHE A 24 0.882 3.240 -8.917 1.00 0.00 N ATOM 360 CA PHE A 24 0.437 1.911 -8.498 1.00 0.00 C ATOM 361 C PHE A 24 1.043 0.845 -9.415 1.00 0.00 C ATOM 362 O PHE A 24 0.733 -0.348 -9.329 1.00 0.00 O ATOM 363 CB PHE A 24 -1.092 1.878 -8.596 1.00 0.00 C ATOM 364 CG PHE A 24 -1.770 0.818 -7.776 1.00 0.00 C ATOM 365 CD1 PHE A 24 -1.988 1.013 -6.424 1.00 0.00 C ATOM 366 CD2 PHE A 24 -2.209 -0.362 -8.356 1.00 0.00 C ATOM 367 CE1 PHE A 24 -2.623 0.054 -5.665 1.00 0.00 C ATOM 368 CE2 PHE A 24 -2.851 -1.326 -7.600 1.00 0.00 C ATOM 369 CZ PHE A 24 -3.056 -1.115 -6.251 1.00 0.00 C ATOM 0 H PHE A 24 0.229 3.755 -9.508 1.00 0.00 H new ATOM 0 HA PHE A 24 0.757 1.706 -7.477 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.479 2.851 -8.292 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.369 1.737 -9.641 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.656 1.929 -5.957 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.048 -0.531 -9.411 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.781 0.219 -4.610 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.191 -2.241 -8.063 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.555 -1.865 -5.656 1.00 0.00 H new ATOM 379 N SER A 25 2.054 1.271 -10.142 1.00 0.00 N ATOM 380 CA SER A 25 2.880 0.382 -10.922 1.00 0.00 C ATOM 381 C SER A 25 4.061 -0.014 -10.068 1.00 0.00 C ATOM 382 O SER A 25 4.542 -1.135 -10.118 1.00 0.00 O ATOM 383 CB SER A 25 3.343 1.074 -12.212 1.00 0.00 C ATOM 384 OG SER A 25 4.049 0.181 -13.056 1.00 0.00 O ATOM 0 H SER A 25 2.326 2.252 -10.207 1.00 0.00 H new ATOM 0 HA SER A 25 2.317 -0.504 -11.215 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.478 1.472 -12.743 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.981 1.922 -11.962 1.00 0.00 H new ATOM 0 HG SER A 25 4.329 0.651 -13.869 1.00 0.00 H new ATOM 390 N ARG A 26 4.492 0.934 -9.248 1.00 0.00 N ATOM 391 CA ARG A 26 5.586 0.729 -8.323 1.00 0.00 C ATOM 392 C ARG A 26 5.133 -0.218 -7.223 1.00 0.00 C ATOM 393 O ARG A 26 5.895 -1.056 -6.745 1.00 0.00 O ATOM 394 CB ARG A 26 5.994 2.076 -7.729 1.00 0.00 C ATOM 395 CG ARG A 26 7.381 2.128 -7.156 1.00 0.00 C ATOM 396 CD ARG A 26 7.765 3.570 -6.888 1.00 0.00 C ATOM 397 NE ARG A 26 9.198 3.726 -6.716 1.00 0.00 N ATOM 398 CZ ARG A 26 9.805 4.893 -6.519 1.00 0.00 C ATOM 399 NH1 ARG A 26 9.108 6.025 -6.517 1.00 0.00 N ATOM 400 NH2 ARG A 26 11.115 4.929 -6.334 1.00 0.00 N ATOM 0 H ARG A 26 4.088 1.870 -9.209 1.00 0.00 H new ATOM 0 HA ARG A 26 6.442 0.293 -8.838 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.910 2.837 -8.504 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.284 2.339 -6.945 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.426 1.551 -6.232 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.089 1.675 -7.850 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.429 4.195 -7.715 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.252 3.922 -5.993 1.00 0.00 H new ATOM 0 HE ARG A 26 9.777 2.887 -6.748 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.099 6.003 -6.667 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.582 6.915 -6.365 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.655 4.064 -6.343 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.584 5.822 -6.183 1.00 0.00 H new ATOM 414 N ILE A 27 3.870 -0.080 -6.845 1.00 0.00 N ATOM 415 CA ILE A 27 3.263 -0.952 -5.857 1.00 0.00 C ATOM 416 C ILE A 27 3.197 -2.383 -6.382 1.00 0.00 C ATOM 417 O ILE A 27 3.576 -3.320 -5.691 1.00 0.00 O ATOM 418 CB ILE A 27 1.852 -0.463 -5.471 1.00 0.00 C ATOM 419 CG1 ILE A 27 1.941 0.927 -4.837 1.00 0.00 C ATOM 420 CG2 ILE A 27 1.180 -1.446 -4.523 1.00 0.00 C ATOM 421 CD1 ILE A 27 0.613 1.472 -4.361 1.00 0.00 C ATOM 0 H ILE A 27 3.243 0.635 -7.213 1.00 0.00 H new ATOM 0 HA ILE A 27 3.886 -0.929 -4.963 1.00 0.00 H new ATOM 0 HB ILE A 27 1.243 -0.400 -6.373 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.629 0.887 -3.993 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.367 1.620 -5.563 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.186 -1.081 -4.264 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.094 -2.418 -5.008 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.778 -1.544 -3.617 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.761 2.460 -3.924 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.073 1.547 -5.205 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.193 0.803 -3.610 1.00 0.00 H new ATOM 433 N ILE A 28 2.738 -2.564 -7.611 1.00 0.00 N ATOM 434 CA ILE A 28 2.705 -3.909 -8.176 1.00 0.00 C ATOM 435 C ILE A 28 4.118 -4.432 -8.482 1.00 0.00 C ATOM 436 O ILE A 28 4.438 -5.581 -8.175 1.00 0.00 O ATOM 437 CB ILE A 28 1.839 -3.964 -9.455 1.00 0.00 C ATOM 438 CG1 ILE A 28 0.399 -3.540 -9.137 1.00 0.00 C ATOM 439 CG2 ILE A 28 1.865 -5.365 -10.059 1.00 0.00 C ATOM 440 CD1 ILE A 28 -0.503 -3.493 -10.352 1.00 0.00 C ATOM 0 H ILE A 28 2.393 -1.824 -8.222 1.00 0.00 H new ATOM 0 HA ILE A 28 2.255 -4.554 -7.421 1.00 0.00 H new ATOM 0 HB ILE A 28 2.252 -3.270 -10.187 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.022 -4.233 -8.409 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.414 -2.556 -8.668 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.250 -5.385 -10.959 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.890 -5.632 -10.315 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.473 -6.080 -9.336 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.504 -3.186 -10.050 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.106 -2.778 -11.073 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.549 -4.481 -10.809 1.00 0.00 H new ATOM 452 N SER A 29 4.968 -3.585 -9.048 1.00 0.00 N ATOM 453 CA SER A 29 6.266 -4.023 -9.557 1.00 0.00 C ATOM 454 C SER A 29 7.297 -4.233 -8.448 1.00 0.00 C ATOM 455 O SER A 29 8.078 -5.184 -8.499 1.00 0.00 O ATOM 456 CB SER A 29 6.808 -2.988 -10.540 1.00 0.00 C ATOM 457 OG SER A 29 7.811 -3.544 -11.373 1.00 0.00 O ATOM 0 H SER A 29 4.784 -2.589 -9.167 1.00 0.00 H new ATOM 0 HA SER A 29 6.105 -4.983 -10.048 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.993 -2.605 -11.154 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.218 -2.141 -9.990 1.00 0.00 H new ATOM 0 HG SER A 29 8.138 -2.859 -11.993 1.00 0.00 H new ATOM 463 N GLU A 30 7.298 -3.363 -7.445 1.00 0.00 N ATOM 464 CA GLU A 30 8.324 -3.415 -6.408 1.00 0.00 C ATOM 465 C GLU A 30 7.742 -3.839 -5.079 1.00 0.00 C ATOM 466 O GLU A 30 8.368 -4.562 -4.318 1.00 0.00 O ATOM 467 CB GLU A 30 8.958 -2.034 -6.222 1.00 0.00 C ATOM 468 CG GLU A 30 9.668 -1.502 -7.452 1.00 0.00 C ATOM 469 CD GLU A 30 10.954 -2.246 -7.741 1.00 0.00 C ATOM 470 OE1 GLU A 30 11.962 -1.968 -7.068 1.00 0.00 O ATOM 471 OE2 GLU A 30 10.967 -3.106 -8.643 1.00 0.00 O ATOM 0 H GLU A 30 6.609 -2.621 -7.327 1.00 0.00 H new ATOM 0 HA GLU A 30 9.070 -4.142 -6.729 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.181 -1.327 -5.931 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.670 -2.082 -5.398 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.005 -1.580 -8.313 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.887 -0.443 -7.313 1.00 0.00 H new ATOM 478 N LEU A 31 6.526 -3.415 -4.821 1.00 0.00 N ATOM 479 CA LEU A 31 5.951 -3.545 -3.497 1.00 0.00 C ATOM 480 C LEU A 31 5.329 -4.921 -3.320 1.00 0.00 C ATOM 481 O LEU A 31 5.428 -5.528 -2.254 1.00 0.00 O ATOM 482 CB LEU A 31 4.931 -2.428 -3.304 1.00 0.00 C ATOM 483 CG LEU A 31 4.682 -1.989 -1.871 1.00 0.00 C ATOM 484 CD1 LEU A 31 5.989 -1.626 -1.192 1.00 0.00 C ATOM 485 CD2 LEU A 31 3.715 -0.816 -1.830 1.00 0.00 C ATOM 0 H LEU A 31 5.914 -2.977 -5.509 1.00 0.00 H new ATOM 0 HA LEU A 31 6.725 -3.451 -2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.260 -1.561 -3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.983 -2.752 -3.733 1.00 0.00 H new ATOM 0 HG LEU A 31 4.232 -2.822 -1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.792 -1.314 -0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.649 -2.493 -1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.466 -0.810 -1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.550 -0.517 -0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.135 0.021 -2.387 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.766 -1.111 -2.278 1.00 0.00 H new ATOM 497 N GLY A 32 4.731 -5.425 -4.391 1.00 0.00 N ATOM 498 CA GLY A 32 4.207 -6.775 -4.394 1.00 0.00 C ATOM 499 C GLY A 32 5.319 -7.812 -4.331 1.00 0.00 C ATOM 500 O GLY A 32 5.082 -8.975 -4.014 1.00 0.00 O ATOM 0 H GLY A 32 4.599 -4.917 -5.265 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.538 -6.907 -3.544 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.613 -6.933 -5.294 1.00 0.00 H new ATOM 504 N THR A 33 6.539 -7.393 -4.640 1.00 0.00 N ATOM 505 CA THR A 33 7.674 -8.300 -4.641 1.00 0.00 C ATOM 506 C THR A 33 8.595 -8.048 -3.449 1.00 0.00 C ATOM 507 O THR A 33 9.591 -8.749 -3.262 1.00 0.00 O ATOM 508 CB THR A 33 8.479 -8.177 -5.943 1.00 0.00 C ATOM 509 OG1 THR A 33 8.914 -6.824 -6.128 1.00 0.00 O ATOM 510 CG2 THR A 33 7.644 -8.608 -7.138 1.00 0.00 C ATOM 0 H THR A 33 6.766 -6.431 -4.893 1.00 0.00 H new ATOM 0 HA THR A 33 7.272 -9.310 -4.564 1.00 0.00 H new ATOM 0 HB THR A 33 9.347 -8.832 -5.867 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.533 -6.469 -6.958 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.235 -8.512 -8.049 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.337 -9.646 -7.012 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.760 -7.975 -7.211 1.00 0.00 H new ATOM 518 N ARG A 34 8.260 -7.053 -2.643 1.00 0.00 N ATOM 519 CA ARG A 34 9.072 -6.716 -1.483 1.00 0.00 C ATOM 520 C ARG A 34 8.642 -7.500 -0.254 1.00 0.00 C ATOM 521 O ARG A 34 9.473 -8.090 0.438 1.00 0.00 O ATOM 522 CB ARG A 34 9.013 -5.228 -1.192 1.00 0.00 C ATOM 523 CG ARG A 34 10.053 -4.427 -1.944 1.00 0.00 C ATOM 524 CD ARG A 34 9.835 -2.947 -1.736 1.00 0.00 C ATOM 525 NE ARG A 34 10.761 -2.118 -2.509 1.00 0.00 N ATOM 526 CZ ARG A 34 11.844 -1.539 -1.989 1.00 0.00 C ATOM 527 NH1 ARG A 34 12.138 -1.702 -0.706 1.00 0.00 N ATOM 528 NH2 ARG A 34 12.630 -0.791 -2.747 1.00 0.00 N ATOM 0 H ARG A 34 7.435 -6.466 -2.769 1.00 0.00 H new ATOM 0 HA ARG A 34 10.100 -6.989 -1.721 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.022 -4.854 -1.449 1.00 0.00 H new ATOM 0 HB3 ARG A 34 9.146 -5.069 -0.122 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.050 -4.705 -1.603 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.002 -4.662 -3.007 1.00 0.00 H new ATOM 0 HD2 ARG A 34 8.812 -2.694 -2.013 1.00 0.00 H new ATOM 0 HD3 ARG A 34 9.945 -2.714 -0.677 1.00 0.00 H new ATOM 0 HE ARG A 34 10.567 -1.975 -3.500 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.535 -2.272 -0.113 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.967 -1.257 -0.312 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.408 -0.655 -3.733 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.457 -0.350 -2.345 1.00 0.00 H new ATOM 542 N ASP A 35 7.342 -7.534 0.001 1.00 0.00 N ATOM 543 CA ASP A 35 6.836 -8.125 1.234 1.00 0.00 C ATOM 544 C ASP A 35 5.450 -8.735 1.027 1.00 0.00 C ATOM 545 O ASP A 35 4.593 -8.143 0.364 1.00 0.00 O ATOM 546 CB ASP A 35 6.778 -7.055 2.327 1.00 0.00 C ATOM 547 CG ASP A 35 6.596 -7.643 3.710 1.00 0.00 C ATOM 548 OD1 ASP A 35 5.451 -7.952 4.083 1.00 0.00 O ATOM 549 OD2 ASP A 35 7.601 -7.796 4.433 1.00 0.00 O ATOM 0 H ASP A 35 6.624 -7.164 -0.621 1.00 0.00 H new ATOM 0 HA ASP A 35 7.513 -8.924 1.537 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.696 -6.468 2.304 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.956 -6.370 2.117 1.00 0.00 H new ATOM 554 N PRO A 36 5.221 -9.935 1.593 1.00 0.00 N ATOM 555 CA PRO A 36 3.944 -10.654 1.490 1.00 0.00 C ATOM 556 C PRO A 36 2.766 -9.924 2.138 1.00 0.00 C ATOM 557 O PRO A 36 1.628 -10.372 2.020 1.00 0.00 O ATOM 558 CB PRO A 36 4.206 -11.980 2.218 1.00 0.00 C ATOM 559 CG PRO A 36 5.688 -12.110 2.255 1.00 0.00 C ATOM 560 CD PRO A 36 6.207 -10.707 2.359 1.00 0.00 C ATOM 0 HA PRO A 36 3.653 -10.765 0.446 1.00 0.00 H new ATOM 0 HB2 PRO A 36 3.785 -11.969 3.223 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.749 -12.817 1.691 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.009 -12.712 3.105 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.062 -12.602 1.357 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.265 -10.373 3.395 1.00 0.00 H new ATOM 0 HD3 PRO A 36 7.208 -10.614 1.938 1.00 0.00 H new ATOM 568 N ARG A 37 3.027 -8.818 2.837 1.00 0.00 N ATOM 569 CA ARG A 37 1.958 -7.999 3.395 1.00 0.00 C ATOM 570 C ARG A 37 0.975 -7.535 2.320 1.00 0.00 C ATOM 571 O ARG A 37 -0.205 -7.330 2.605 1.00 0.00 O ATOM 572 CB ARG A 37 2.533 -6.799 4.131 1.00 0.00 C ATOM 573 CG ARG A 37 3.043 -7.154 5.508 1.00 0.00 C ATOM 574 CD ARG A 37 3.493 -5.925 6.269 1.00 0.00 C ATOM 575 NE ARG A 37 4.888 -5.580 5.999 1.00 0.00 N ATOM 576 CZ ARG A 37 5.573 -4.665 6.689 1.00 0.00 C ATOM 577 NH1 ARG A 37 5.005 -4.040 7.715 1.00 0.00 N ATOM 578 NH2 ARG A 37 6.834 -4.392 6.379 1.00 0.00 N ATOM 0 H ARG A 37 3.967 -8.472 3.028 1.00 0.00 H new ATOM 0 HA ARG A 37 1.408 -8.622 4.101 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.347 -6.373 3.544 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.766 -6.029 4.218 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.258 -7.662 6.068 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.875 -7.853 5.420 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.855 -5.082 6.002 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.364 -6.096 7.338 1.00 0.00 H new ATOM 0 HE ARG A 37 5.365 -6.066 5.240 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.044 -4.259 7.977 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.530 -3.341 8.241 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.287 -4.883 5.608 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.350 -3.691 6.911 1.00 0.00 H new ATOM 592 N TYR A 38 1.453 -7.385 1.087 1.00 0.00 N ATOM 593 CA TYR A 38 0.594 -6.973 -0.012 1.00 0.00 C ATOM 594 C TYR A 38 -0.354 -8.107 -0.412 1.00 0.00 C ATOM 595 O TYR A 38 -1.399 -7.871 -1.022 1.00 0.00 O ATOM 596 CB TYR A 38 1.453 -6.544 -1.208 1.00 0.00 C ATOM 597 CG TYR A 38 0.666 -5.954 -2.358 1.00 0.00 C ATOM 598 CD1 TYR A 38 0.027 -4.729 -2.228 1.00 0.00 C ATOM 599 CD2 TYR A 38 0.562 -6.621 -3.572 1.00 0.00 C ATOM 600 CE1 TYR A 38 -0.693 -4.185 -3.275 1.00 0.00 C ATOM 601 CE2 TYR A 38 -0.154 -6.085 -4.624 1.00 0.00 C ATOM 602 CZ TYR A 38 -0.779 -4.867 -4.470 1.00 0.00 C ATOM 603 OH TYR A 38 -1.496 -4.329 -5.513 1.00 0.00 O ATOM 0 H TYR A 38 2.427 -7.543 0.828 1.00 0.00 H new ATOM 0 HA TYR A 38 -0.011 -6.126 0.313 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.186 -5.811 -0.870 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.010 -7.408 -1.569 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.093 -4.192 -1.293 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.050 -7.576 -3.695 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.185 -3.231 -3.158 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.224 -6.617 -5.561 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.457 -4.934 -6.283 1.00 0.00 H new ATOM 613 N TRP A 39 0.008 -9.333 -0.042 1.00 0.00 N ATOM 614 CA TRP A 39 -0.751 -10.520 -0.432 1.00 0.00 C ATOM 615 C TRP A 39 -1.531 -11.094 0.745 1.00 0.00 C ATOM 616 O TRP A 39 -2.516 -11.810 0.553 1.00 0.00 O ATOM 617 CB TRP A 39 0.194 -11.578 -0.997 1.00 0.00 C ATOM 618 CG TRP A 39 1.110 -11.022 -2.040 1.00 0.00 C ATOM 619 CD1 TRP A 39 2.456 -10.826 -1.929 1.00 0.00 C ATOM 620 CD2 TRP A 39 0.740 -10.555 -3.342 1.00 0.00 C ATOM 621 NE1 TRP A 39 2.946 -10.281 -3.088 1.00 0.00 N ATOM 622 CE2 TRP A 39 1.914 -10.103 -3.969 1.00 0.00 C ATOM 623 CE3 TRP A 39 -0.470 -10.476 -4.040 1.00 0.00 C ATOM 624 CZ2 TRP A 39 1.916 -9.580 -5.259 1.00 0.00 C ATOM 625 CZ3 TRP A 39 -0.467 -9.957 -5.321 1.00 0.00 C ATOM 626 CH2 TRP A 39 0.722 -9.515 -5.919 1.00 0.00 C ATOM 0 H TRP A 39 0.828 -9.532 0.531 1.00 0.00 H new ATOM 0 HA TRP A 39 -1.468 -10.225 -1.198 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.786 -12.003 -0.186 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -0.390 -12.392 -1.426 1.00 0.00 H new ATOM 0 HD1 TRP A 39 3.048 -11.065 -1.058 1.00 0.00 H new ATOM 0 HE1 TRP A 39 3.923 -10.046 -3.265 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.390 -10.814 -3.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 2.830 -9.238 -5.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.395 -9.891 -5.870 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.693 -9.115 -6.922 1.00 0.00 H new ATOM 637 N MET A 40 -1.069 -10.798 1.962 1.00 0.00 N ATOM 638 CA MET A 40 -1.761 -11.193 3.177 1.00 0.00 C ATOM 639 C MET A 40 -3.217 -10.753 3.112 1.00 0.00 C ATOM 640 O MET A 40 -4.134 -11.525 3.400 1.00 0.00 O ATOM 641 CB MET A 40 -1.070 -10.570 4.384 1.00 0.00 C ATOM 642 CG MET A 40 -1.451 -11.228 5.685 1.00 0.00 C ATOM 643 SD MET A 40 -0.467 -10.643 7.077 1.00 0.00 S ATOM 644 CE MET A 40 1.172 -11.153 6.564 1.00 0.00 C ATOM 0 H MET A 40 -0.206 -10.279 2.126 1.00 0.00 H new ATOM 0 HA MET A 40 -1.731 -12.278 3.274 1.00 0.00 H new ATOM 0 HB2 MET A 40 0.010 -10.637 4.252 1.00 0.00 H new ATOM 0 HB3 MET A 40 -1.320 -9.510 4.432 1.00 0.00 H new ATOM 0 HG2 MET A 40 -2.506 -11.040 5.887 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.332 -12.307 5.590 1.00 0.00 H new ATOM 0 HE1 MET A 40 1.721 -11.534 7.425 1.00 0.00 H new ATOM 0 HE2 MET A 40 1.090 -11.936 5.810 1.00 0.00 H new ATOM 0 HE3 MET A 40 1.704 -10.299 6.144 1.00 0.00 H new ATOM 654 N VAL A 41 -3.415 -9.507 2.727 1.00 0.00 N ATOM 655 CA VAL A 41 -4.732 -9.027 2.366 1.00 0.00 C ATOM 656 C VAL A 41 -4.958 -9.313 0.887 1.00 0.00 C ATOM 657 O VAL A 41 -4.240 -8.786 0.033 1.00 0.00 O ATOM 658 CB VAL A 41 -4.899 -7.512 2.661 1.00 0.00 C ATOM 659 CG1 VAL A 41 -3.729 -6.707 2.111 1.00 0.00 C ATOM 660 CG2 VAL A 41 -6.220 -6.997 2.101 1.00 0.00 C ATOM 0 H VAL A 41 -2.676 -8.807 2.656 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.476 -9.546 2.971 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.910 -7.383 3.743 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.877 -5.651 2.335 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.803 -7.049 2.573 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.668 -6.844 1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.317 -5.933 2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.242 -7.150 1.022 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.046 -7.539 2.562 1.00 0.00 H new ATOM 670 N ASP A 42 -5.945 -10.153 0.588 1.00 0.00 N ATOM 671 CA ASP A 42 -6.175 -10.610 -0.762 1.00 0.00 C ATOM 672 C ASP A 42 -6.418 -9.447 -1.692 1.00 0.00 C ATOM 673 O ASP A 42 -6.995 -8.428 -1.310 1.00 0.00 O ATOM 674 CB ASP A 42 -7.338 -11.582 -0.808 1.00 0.00 C ATOM 675 CG ASP A 42 -8.564 -11.094 -0.072 1.00 0.00 C ATOM 676 OD1 ASP A 42 -9.411 -10.425 -0.701 1.00 0.00 O ATOM 677 OD2 ASP A 42 -8.695 -11.386 1.136 1.00 0.00 O ATOM 0 H ASP A 42 -6.599 -10.529 1.275 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.278 -11.131 -1.098 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.601 -11.772 -1.849 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.022 -12.534 -0.380 1.00 0.00 H new ATOM 682 N ASP A 43 -5.945 -9.619 -2.907 1.00 0.00 N ATOM 683 CA ASP A 43 -5.770 -8.532 -3.839 1.00 0.00 C ATOM 684 C ASP A 43 -7.060 -7.849 -4.233 1.00 0.00 C ATOM 685 O ASP A 43 -7.819 -8.303 -5.090 1.00 0.00 O ATOM 686 CB ASP A 43 -4.996 -9.013 -5.067 1.00 0.00 C ATOM 687 CG ASP A 43 -5.657 -10.177 -5.780 1.00 0.00 C ATOM 688 OD1 ASP A 43 -5.690 -11.288 -5.209 1.00 0.00 O ATOM 689 OD2 ASP A 43 -6.126 -9.994 -6.925 1.00 0.00 O ATOM 0 H ASP A 43 -5.669 -10.528 -3.277 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.190 -7.768 -3.322 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -4.887 -8.184 -5.766 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.992 -9.307 -4.762 1.00 0.00 H new ATOM 694 N ASP A 44 -7.288 -6.749 -3.556 1.00 0.00 N ATOM 695 CA ASP A 44 -8.279 -5.789 -3.918 1.00 0.00 C ATOM 696 C ASP A 44 -7.590 -4.521 -4.384 1.00 0.00 C ATOM 697 O ASP A 44 -7.216 -3.665 -3.585 1.00 0.00 O ATOM 698 CB ASP A 44 -9.172 -5.517 -2.711 1.00 0.00 C ATOM 699 CG ASP A 44 -8.447 -5.489 -1.374 1.00 0.00 C ATOM 700 OD1 ASP A 44 -7.198 -5.451 -1.346 1.00 0.00 O ATOM 701 OD2 ASP A 44 -9.142 -5.531 -0.340 1.00 0.00 O ATOM 0 H ASP A 44 -6.769 -6.499 -2.715 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.900 -6.165 -4.731 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.674 -4.560 -2.856 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.948 -6.281 -2.671 1.00 0.00 H new ATOM 706 N PRO A 45 -7.421 -4.380 -5.700 1.00 0.00 N ATOM 707 CA PRO A 45 -6.665 -3.282 -6.281 1.00 0.00 C ATOM 708 C PRO A 45 -7.345 -1.939 -6.091 1.00 0.00 C ATOM 709 O PRO A 45 -6.680 -0.923 -5.944 1.00 0.00 O ATOM 710 CB PRO A 45 -6.580 -3.637 -7.765 1.00 0.00 C ATOM 711 CG PRO A 45 -6.972 -5.066 -7.854 1.00 0.00 C ATOM 712 CD PRO A 45 -7.926 -5.293 -6.731 1.00 0.00 C ATOM 0 HA PRO A 45 -5.691 -3.173 -5.804 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.246 -3.010 -8.357 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.572 -3.482 -8.148 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.439 -5.285 -8.814 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.102 -5.717 -7.766 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.952 -5.058 -7.015 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.918 -6.330 -6.395 1.00 0.00 H new ATOM 720 N LEU A 46 -8.669 -1.937 -6.090 1.00 0.00 N ATOM 721 CA LEU A 46 -9.428 -0.711 -5.892 1.00 0.00 C ATOM 722 C LEU A 46 -9.286 -0.252 -4.444 1.00 0.00 C ATOM 723 O LEU A 46 -9.212 0.937 -4.175 1.00 0.00 O ATOM 724 CB LEU A 46 -10.911 -0.944 -6.222 1.00 0.00 C ATOM 725 CG LEU A 46 -11.668 0.201 -6.911 1.00 0.00 C ATOM 726 CD1 LEU A 46 -11.539 1.505 -6.137 1.00 0.00 C ATOM 727 CD2 LEU A 46 -11.194 0.371 -8.343 1.00 0.00 C ATOM 0 H LEU A 46 -9.241 -2.771 -6.224 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.039 0.060 -6.557 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.980 -1.826 -6.859 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.430 -1.181 -5.293 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.725 -0.064 -6.927 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -12.088 2.292 -6.655 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.949 1.376 -5.136 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.487 1.783 -6.065 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.743 1.187 -8.813 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.128 0.599 -8.349 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.370 -0.551 -8.897 1.00 0.00 H new ATOM 739 N TRP A 47 -9.235 -1.187 -3.501 1.00 0.00 N ATOM 740 CA TRP A 47 -9.010 -0.800 -2.116 1.00 0.00 C ATOM 741 C TRP A 47 -7.559 -0.404 -1.914 1.00 0.00 C ATOM 742 O TRP A 47 -7.274 0.565 -1.223 1.00 0.00 O ATOM 743 CB TRP A 47 -9.398 -1.900 -1.125 1.00 0.00 C ATOM 744 CG TRP A 47 -9.137 -1.489 0.296 1.00 0.00 C ATOM 745 CD1 TRP A 47 -9.749 -0.481 0.980 1.00 0.00 C ATOM 746 CD2 TRP A 47 -8.175 -2.052 1.190 1.00 0.00 C ATOM 747 NE1 TRP A 47 -9.246 -0.400 2.258 1.00 0.00 N ATOM 748 CE2 TRP A 47 -8.276 -1.355 2.408 1.00 0.00 C ATOM 749 CE3 TRP A 47 -7.248 -3.083 1.081 1.00 0.00 C ATOM 750 CZ2 TRP A 47 -7.477 -1.660 3.507 1.00 0.00 C ATOM 751 CZ3 TRP A 47 -6.451 -3.385 2.171 1.00 0.00 C ATOM 752 CH2 TRP A 47 -6.573 -2.679 3.371 1.00 0.00 C ATOM 0 H TRP A 47 -9.343 -2.188 -3.663 1.00 0.00 H new ATOM 0 HA TRP A 47 -9.657 0.054 -1.914 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -10.454 -2.141 -1.245 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -8.836 -2.807 -1.350 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -10.518 0.161 0.577 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -9.546 0.261 2.974 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.152 -3.639 0.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.567 -1.112 4.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.723 -4.179 2.093 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.942 -2.942 4.207 1.00 0.00 H new ATOM 763 N LYS A 48 -6.646 -1.131 -2.549 1.00 0.00 N ATOM 764 CA LYS A 48 -5.229 -0.784 -2.485 1.00 0.00 C ATOM 765 C LYS A 48 -4.993 0.570 -3.132 1.00 0.00 C ATOM 766 O LYS A 48 -4.137 1.330 -2.694 1.00 0.00 O ATOM 767 CB LYS A 48 -4.363 -1.863 -3.159 1.00 0.00 C ATOM 768 CG LYS A 48 -3.841 -2.921 -2.206 1.00 0.00 C ATOM 769 CD LYS A 48 -4.950 -3.433 -1.324 1.00 0.00 C ATOM 770 CE LYS A 48 -4.501 -4.543 -0.394 1.00 0.00 C ATOM 771 NZ LYS A 48 -4.614 -5.883 -1.030 1.00 0.00 N ATOM 0 H LYS A 48 -6.858 -1.957 -3.109 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.937 -0.729 -1.436 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.949 -2.349 -3.939 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.517 -1.381 -3.649 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.408 -3.746 -2.772 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.044 -2.503 -1.591 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.346 -2.608 -0.732 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.765 -3.797 -1.949 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.467 -4.370 -0.095 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.103 -4.521 0.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.648 -6.616 -0.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.483 -5.925 -1.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.790 -6.047 -1.643 1.00 0.00 H new ATOM 785 N LYS A 49 -5.781 0.880 -4.152 1.00 0.00 N ATOM 786 CA LYS A 49 -5.659 2.145 -4.839 1.00 0.00 C ATOM 787 C LYS A 49 -6.332 3.252 -4.027 1.00 0.00 C ATOM 788 O LYS A 49 -5.812 4.357 -3.925 1.00 0.00 O ATOM 789 CB LYS A 49 -6.251 2.038 -6.255 1.00 0.00 C ATOM 790 CG LYS A 49 -7.742 2.252 -6.366 1.00 0.00 C ATOM 791 CD LYS A 49 -8.172 2.140 -7.812 1.00 0.00 C ATOM 792 CE LYS A 49 -7.741 0.822 -8.443 1.00 0.00 C ATOM 793 NZ LYS A 49 -7.845 0.865 -9.923 1.00 0.00 N ATOM 0 H LYS A 49 -6.510 0.268 -4.518 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.604 2.401 -4.939 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.751 2.767 -6.893 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.015 1.051 -6.653 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.270 1.514 -5.762 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.008 3.234 -5.974 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.256 2.233 -7.875 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.748 2.968 -8.380 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.713 0.600 -8.156 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.362 0.013 -8.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.544 -0.048 -10.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.831 1.053 -10.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.233 1.621 -10.292 1.00 0.00 H new ATOM 807 N GLU A 50 -7.466 2.926 -3.415 1.00 0.00 N ATOM 808 CA GLU A 50 -8.208 3.878 -2.600 1.00 0.00 C ATOM 809 C GLU A 50 -7.457 4.230 -1.325 1.00 0.00 C ATOM 810 O GLU A 50 -7.399 5.396 -0.930 1.00 0.00 O ATOM 811 CB GLU A 50 -9.581 3.322 -2.267 1.00 0.00 C ATOM 812 CG GLU A 50 -10.616 3.656 -3.323 1.00 0.00 C ATOM 813 CD GLU A 50 -10.826 5.147 -3.488 1.00 0.00 C ATOM 814 OE1 GLU A 50 -11.592 5.732 -2.696 1.00 0.00 O ATOM 815 OE2 GLU A 50 -10.236 5.737 -4.417 1.00 0.00 O ATOM 0 H GLU A 50 -7.893 2.001 -3.470 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.323 4.794 -3.179 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.514 2.239 -2.158 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.907 3.719 -1.306 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.306 3.230 -4.277 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.564 3.187 -3.058 1.00 0.00 H new ATOM 822 N MET A 51 -6.865 3.228 -0.687 1.00 0.00 N ATOM 823 CA MET A 51 -6.124 3.456 0.536 1.00 0.00 C ATOM 824 C MET A 51 -4.790 4.131 0.210 1.00 0.00 C ATOM 825 O MET A 51 -4.231 4.858 1.030 1.00 0.00 O ATOM 826 CB MET A 51 -5.903 2.143 1.293 1.00 0.00 C ATOM 827 CG MET A 51 -4.977 1.163 0.593 1.00 0.00 C ATOM 828 SD MET A 51 -4.658 -0.307 1.583 1.00 0.00 S ATOM 829 CE MET A 51 -4.248 0.439 3.160 1.00 0.00 C ATOM 0 H MET A 51 -6.886 2.257 -0.998 1.00 0.00 H new ATOM 0 HA MET A 51 -6.703 4.115 1.183 1.00 0.00 H new ATOM 0 HB2 MET A 51 -5.495 2.370 2.278 1.00 0.00 H new ATOM 0 HB3 MET A 51 -6.868 1.662 1.451 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.418 0.868 -0.359 1.00 0.00 H new ATOM 0 HG3 MET A 51 -4.032 1.658 0.367 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.938 -0.337 3.860 1.00 0.00 H new ATOM 0 HE2 MET A 51 -3.435 1.152 3.025 1.00 0.00 H new ATOM 0 HE3 MET A 51 -5.122 0.956 3.556 1.00 0.00 H new ATOM 839 N PHE A 52 -4.299 3.895 -1.007 1.00 0.00 N ATOM 840 CA PHE A 52 -3.092 4.553 -1.499 1.00 0.00 C ATOM 841 C PHE A 52 -3.380 6.026 -1.751 1.00 0.00 C ATOM 842 O PHE A 52 -2.553 6.889 -1.468 1.00 0.00 O ATOM 843 CB PHE A 52 -2.613 3.868 -2.784 1.00 0.00 C ATOM 844 CG PHE A 52 -1.373 4.460 -3.389 1.00 0.00 C ATOM 845 CD1 PHE A 52 -0.202 4.557 -2.656 1.00 0.00 C ATOM 846 CD2 PHE A 52 -1.377 4.901 -4.702 1.00 0.00 C ATOM 847 CE1 PHE A 52 0.941 5.088 -3.221 1.00 0.00 C ATOM 848 CE2 PHE A 52 -0.237 5.435 -5.273 1.00 0.00 C ATOM 849 CZ PHE A 52 0.923 5.527 -4.530 1.00 0.00 C ATOM 0 H PHE A 52 -4.723 3.249 -1.672 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.303 4.474 -0.751 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.429 2.815 -2.571 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.415 3.909 -3.521 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.182 4.214 -1.632 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.282 4.827 -5.287 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.848 5.160 -2.639 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.254 5.779 -6.297 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.816 5.942 -4.973 1.00 0.00 H new ATOM 859 N GLU A 53 -4.582 6.301 -2.240 1.00 0.00 N ATOM 860 CA GLU A 53 -5.035 7.670 -2.440 1.00 0.00 C ATOM 861 C GLU A 53 -5.191 8.365 -1.099 1.00 0.00 C ATOM 862 O GLU A 53 -4.982 9.570 -0.984 1.00 0.00 O ATOM 863 CB GLU A 53 -6.372 7.678 -3.183 1.00 0.00 C ATOM 864 CG GLU A 53 -6.272 7.261 -4.635 1.00 0.00 C ATOM 865 CD GLU A 53 -5.978 8.425 -5.551 1.00 0.00 C ATOM 866 OE1 GLU A 53 -6.926 9.161 -5.892 1.00 0.00 O ATOM 867 OE2 GLU A 53 -4.802 8.615 -5.935 1.00 0.00 O ATOM 0 H GLU A 53 -5.263 5.590 -2.506 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.293 8.202 -3.036 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.065 7.010 -2.671 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.798 8.680 -3.132 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.488 6.512 -4.741 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.206 6.790 -4.940 1.00 0.00 H new ATOM 874 N LYS A 54 -5.531 7.593 -0.076 1.00 0.00 N ATOM 875 CA LYS A 54 -5.656 8.135 1.267 1.00 0.00 C ATOM 876 C LYS A 54 -4.286 8.436 1.830 1.00 0.00 C ATOM 877 O LYS A 54 -4.086 9.424 2.527 1.00 0.00 O ATOM 878 CB LYS A 54 -6.370 7.160 2.199 1.00 0.00 C ATOM 879 CG LYS A 54 -6.679 7.770 3.547 1.00 0.00 C ATOM 880 CD LYS A 54 -7.858 8.714 3.433 1.00 0.00 C ATOM 881 CE LYS A 54 -8.119 9.451 4.726 1.00 0.00 C ATOM 882 NZ LYS A 54 -9.187 10.471 4.571 1.00 0.00 N ATOM 0 H LYS A 54 -5.724 6.594 -0.151 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.246 9.049 1.200 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.298 6.829 1.732 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.750 6.275 2.338 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.901 6.984 4.268 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.807 8.308 3.920 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.670 9.434 2.637 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.748 8.151 3.151 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.406 8.739 5.499 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.201 9.933 5.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.338 10.956 5.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.902 11.165 3.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.070 10.007 4.275 1.00 0.00 H new ATOM 896 N TYR A 55 -3.339 7.580 1.517 1.00 0.00 N ATOM 897 CA TYR A 55 -1.994 7.737 2.029 1.00 0.00 C ATOM 898 C TYR A 55 -1.300 8.920 1.363 1.00 0.00 C ATOM 899 O TYR A 55 -0.379 9.506 1.927 1.00 0.00 O ATOM 900 CB TYR A 55 -1.198 6.450 1.805 1.00 0.00 C ATOM 901 CG TYR A 55 0.186 6.457 2.420 1.00 0.00 C ATOM 902 CD1 TYR A 55 0.367 6.234 3.779 1.00 0.00 C ATOM 903 CD2 TYR A 55 1.310 6.683 1.638 1.00 0.00 C ATOM 904 CE1 TYR A 55 1.632 6.237 4.338 1.00 0.00 C ATOM 905 CE2 TYR A 55 2.574 6.687 2.191 1.00 0.00 C ATOM 906 CZ TYR A 55 2.731 6.464 3.538 1.00 0.00 C ATOM 907 OH TYR A 55 3.990 6.467 4.091 1.00 0.00 O ATOM 0 H TYR A 55 -3.474 6.770 0.912 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.047 7.936 3.099 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.761 5.612 2.216 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.105 6.276 0.733 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.492 6.056 4.408 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.193 6.859 0.579 1.00 0.00 H new ATOM 0 HE1 TYR A 55 1.758 6.062 5.396 1.00 0.00 H new ATOM 0 HE2 TYR A 55 3.438 6.865 1.567 1.00 0.00 H new ATOM 0 HH TYR A 55 4.654 6.641 3.392 1.00 0.00 H new ATOM 917 N LEU A 56 -1.740 9.273 0.166 1.00 0.00 N ATOM 918 CA LEU A 56 -1.163 10.402 -0.529 1.00 0.00 C ATOM 919 C LEU A 56 -1.951 11.680 -0.263 1.00 0.00 C ATOM 920 O LEU A 56 -1.377 12.765 -0.187 1.00 0.00 O ATOM 921 CB LEU A 56 -1.112 10.121 -2.027 1.00 0.00 C ATOM 922 CG LEU A 56 -0.389 8.839 -2.436 1.00 0.00 C ATOM 923 CD1 LEU A 56 -0.262 8.767 -3.949 1.00 0.00 C ATOM 924 CD2 LEU A 56 0.977 8.752 -1.774 1.00 0.00 C ATOM 0 H LEU A 56 -2.488 8.796 -0.337 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.150 10.548 -0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.134 10.077 -2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.626 10.963 -2.520 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.979 7.987 -2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.255 7.849 -4.227 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.255 8.775 -4.398 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.305 9.626 -4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.472 7.831 -2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.582 9.607 -2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.857 8.756 -0.691 1.00 0.00 H new ATOM 936 N SER A 57 -3.260 11.552 -0.099 1.00 0.00 N ATOM 937 CA SER A 57 -4.108 12.703 0.157 1.00 0.00 C ATOM 938 C SER A 57 -4.433 12.813 1.647 1.00 0.00 C ATOM 939 O SER A 57 -5.454 13.382 2.041 1.00 0.00 O ATOM 940 CB SER A 57 -5.383 12.610 -0.681 1.00 0.00 C ATOM 941 OG SER A 57 -6.150 13.801 -0.605 1.00 0.00 O ATOM 0 H SER A 57 -3.756 10.662 -0.139 1.00 0.00 H new ATOM 0 HA SER A 57 -3.572 13.607 -0.132 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.121 12.412 -1.720 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.984 11.768 -0.337 1.00 0.00 H new ATOM 0 HG SER A 57 -6.212 14.091 0.329 1.00 0.00 H new ATOM 947 N ASN A 58 -3.557 12.255 2.475 1.00 0.00 N ATOM 948 CA ASN A 58 -3.708 12.322 3.925 1.00 0.00 C ATOM 949 C ASN A 58 -2.458 11.794 4.603 1.00 0.00 C ATOM 950 O ASN A 58 -1.725 12.548 5.245 1.00 0.00 O ATOM 951 CB ASN A 58 -4.906 11.496 4.404 1.00 0.00 C ATOM 952 CG ASN A 58 -5.332 11.845 5.819 1.00 0.00 C ATOM 953 OD1 ASN A 58 -6.171 12.723 6.027 1.00 0.00 O ATOM 954 ND2 ASN A 58 -4.770 11.155 6.801 1.00 0.00 N ATOM 0 H ASN A 58 -2.729 11.747 2.164 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.871 13.367 4.187 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -5.745 11.655 3.727 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -4.654 10.437 4.356 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.029 11.343 7.770 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.079 10.436 6.588 1.00 0.00 H new ATOM 961 N ARG A 59 -2.225 10.492 4.421 1.00 0.00 N ATOM 962 CA ARG A 59 -1.158 9.779 5.121 1.00 0.00 C ATOM 963 C ARG A 59 -1.427 9.805 6.625 1.00 0.00 C ATOM 964 O ARG A 59 -0.804 10.620 7.337 1.00 0.00 O ATOM 965 CB ARG A 59 0.224 10.373 4.801 1.00 0.00 C ATOM 966 CG ARG A 59 1.375 9.650 5.485 1.00 0.00 C ATOM 967 CD ARG A 59 2.704 10.350 5.246 1.00 0.00 C ATOM 968 NE ARG A 59 3.252 10.099 3.911 1.00 0.00 N ATOM 969 CZ ARG A 59 4.034 10.961 3.257 1.00 0.00 C ATOM 970 NH1 ARG A 59 4.198 12.196 3.721 1.00 0.00 N ATOM 971 NH2 ARG A 59 4.624 10.602 2.125 1.00 0.00 N ATOM 972 OXT ARG A 59 -2.286 9.030 7.082 1.00 0.00 O ATOM 0 H ARG A 59 -2.769 9.906 3.787 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.149 8.745 4.776 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.380 10.347 3.723 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.237 11.421 5.099 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.182 9.592 6.556 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.432 8.626 5.115 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.573 11.423 5.383 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.423 10.019 5.996 1.00 0.00 H new ATOM 0 HE ARG A 59 3.023 9.216 3.455 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.726 12.486 4.578 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.796 12.854 3.220 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.481 9.664 1.751 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.221 11.264 1.629 1.00 0.00 H new