USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 408 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -1.61! C(o=-1.6!,f=-2.2!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 141:sc= -0.871 (180deg=-2.96!) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 24 GLN : amide:sc= -4.06! C(o=-4.1!,f=-6.5!) USER MOD Single : A 26 ASN : amide:sc= -1.59! K(o=-1.6!,f=-0.17) USER MOD Single : A 27 MET CE :methyl -161:sc= 0 (180deg=-0.339) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= -0.48 USER MOD Single : A 39 LYS NZ :NH3+ 166:sc= -0.0285 (180deg=-0.243) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -4.64! C(o=-4.6!,f=-2.9!) USER MOD Single : A 48 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.914 11.778 -12.938 1.00 0.00 N ATOM 2 CA GLY A 1 0.799 12.641 -11.730 1.00 0.00 C ATOM 3 C GLY A 1 -0.441 13.514 -11.754 1.00 0.00 C ATOM 4 O GLY A 1 -1.414 13.242 -11.051 1.00 0.00 O ATOM 0 H1 GLY A 1 1.777 11.202 -12.872 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.085 11.153 -12.999 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.960 12.375 -13.788 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.780 12.013 -10.839 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.683 13.274 -11.654 1.00 0.00 H new ATOM 10 N ARG A 2 -0.404 14.564 -12.569 1.00 0.00 N ATOM 11 CA ARG A 2 -1.531 15.484 -12.683 1.00 0.00 C ATOM 12 C ARG A 2 -2.457 15.069 -13.824 1.00 0.00 C ATOM 13 O ARG A 2 -2.618 15.797 -14.805 1.00 0.00 O ATOM 14 CB ARG A 2 -1.021 16.911 -12.908 1.00 0.00 C ATOM 15 CG ARG A 2 -2.078 17.983 -12.693 1.00 0.00 C ATOM 16 CD ARG A 2 -2.484 18.082 -11.230 1.00 0.00 C ATOM 17 NE ARG A 2 -3.325 19.249 -10.972 1.00 0.00 N ATOM 18 CZ ARG A 2 -3.757 19.593 -9.762 1.00 0.00 C ATOM 19 NH1 ARG A 2 -3.442 18.856 -8.705 1.00 0.00 N ATOM 20 NH2 ARG A 2 -4.508 20.676 -9.609 1.00 0.00 N ATOM 0 H ARG A 2 0.394 14.799 -13.160 1.00 0.00 H new ATOM 0 HA ARG A 2 -2.099 15.451 -11.753 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -0.185 17.098 -12.234 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -0.636 16.993 -13.924 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -1.695 18.946 -13.031 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.955 17.758 -13.300 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -3.020 17.178 -10.941 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -1.590 18.135 -10.609 1.00 0.00 H new ATOM 0 HE ARG A 2 -3.596 19.832 -11.764 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -2.866 18.022 -8.818 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -3.776 19.124 -7.779 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -4.754 21.245 -10.419 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -4.839 20.940 -8.681 1.00 0.00 H new ATOM 34 N ARG A 3 -3.063 13.892 -13.689 1.00 0.00 N ATOM 35 CA ARG A 3 -3.973 13.376 -14.706 1.00 0.00 C ATOM 36 C ARG A 3 -5.426 13.549 -14.274 1.00 0.00 C ATOM 37 O ARG A 3 -6.114 14.464 -14.725 1.00 0.00 O ATOM 38 CB ARG A 3 -3.682 11.899 -14.980 1.00 0.00 C ATOM 39 CG ARG A 3 -2.376 11.659 -15.718 1.00 0.00 C ATOM 40 CD ARG A 3 -2.471 12.086 -17.175 1.00 0.00 C ATOM 41 NE ARG A 3 -1.242 11.799 -17.910 1.00 0.00 N ATOM 42 CZ ARG A 3 -1.089 12.035 -19.210 1.00 0.00 C ATOM 43 NH1 ARG A 3 -2.082 12.559 -19.916 1.00 0.00 N ATOM 44 NH2 ARG A 3 0.060 11.745 -19.808 1.00 0.00 N ATOM 0 H ARG A 3 -2.940 13.278 -12.884 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.815 13.946 -15.622 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -3.657 11.361 -14.032 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.501 11.479 -15.564 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -1.574 12.210 -15.228 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -2.116 10.602 -15.664 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -3.306 11.571 -17.650 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -2.684 13.154 -17.227 1.00 0.00 H new ATOM 0 HE ARG A 3 -0.458 11.395 -17.398 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -2.968 12.783 -19.462 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -1.960 12.738 -20.913 1.00 0.00 H new ATOM 0 HH21 ARG A 3 0.827 11.341 -19.271 1.00 0.00 H new ATOM 0 HH22 ARG A 3 0.176 11.926 -20.805 1.00 0.00 H new ATOM 58 N ARG A 4 -5.884 12.661 -13.397 1.00 0.00 N ATOM 59 CA ARG A 4 -7.254 12.711 -12.899 1.00 0.00 C ATOM 60 C ARG A 4 -7.326 12.197 -11.463 1.00 0.00 C ATOM 61 O ARG A 4 -6.472 11.423 -11.031 1.00 0.00 O ATOM 62 CB ARG A 4 -8.177 11.888 -13.805 1.00 0.00 C ATOM 63 CG ARG A 4 -9.624 11.853 -13.338 1.00 0.00 C ATOM 64 CD ARG A 4 -10.528 11.196 -14.369 1.00 0.00 C ATOM 65 NE ARG A 4 -10.656 12.007 -15.577 1.00 0.00 N ATOM 66 CZ ARG A 4 -11.821 12.411 -16.075 1.00 0.00 C ATOM 67 NH1 ARG A 4 -12.956 12.073 -15.476 1.00 0.00 N ATOM 68 NH2 ARG A 4 -11.852 13.154 -17.173 1.00 0.00 N ATOM 0 H ARG A 4 -5.325 11.897 -13.016 1.00 0.00 H new ATOM 0 HA ARG A 4 -7.586 13.749 -12.908 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.141 12.299 -14.814 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.799 10.867 -13.862 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -9.690 11.309 -12.396 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -9.969 12.869 -13.145 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -10.128 10.216 -14.630 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -11.515 11.033 -13.935 1.00 0.00 H new ATOM 0 HE ARG A 4 -9.803 12.279 -16.066 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -12.936 11.502 -14.631 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -13.848 12.384 -15.860 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -10.982 13.416 -17.636 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -12.746 13.463 -17.554 1.00 0.00 H new ATOM 82 N ARG A 5 -8.345 12.639 -10.729 1.00 0.00 N ATOM 83 CA ARG A 5 -8.528 12.227 -9.340 1.00 0.00 C ATOM 84 C ARG A 5 -8.430 10.709 -9.200 1.00 0.00 C ATOM 85 O ARG A 5 -7.487 10.193 -8.601 1.00 0.00 O ATOM 86 CB ARG A 5 -9.880 12.717 -8.818 1.00 0.00 C ATOM 87 CG ARG A 5 -10.016 14.231 -8.815 1.00 0.00 C ATOM 88 CD ARG A 5 -11.423 14.661 -8.437 1.00 0.00 C ATOM 89 NE ARG A 5 -11.843 14.092 -7.161 1.00 0.00 N ATOM 90 CZ ARG A 5 -12.824 13.202 -7.037 1.00 0.00 C ATOM 91 NH1 ARG A 5 -13.481 12.781 -8.110 1.00 0.00 N ATOM 92 NH2 ARG A 5 -13.146 12.731 -5.841 1.00 0.00 N ATOM 0 H ARG A 5 -9.057 13.283 -11.074 1.00 0.00 H new ATOM 0 HA ARG A 5 -7.732 12.676 -8.746 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -10.674 12.290 -9.431 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.026 12.345 -7.804 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -9.302 14.660 -8.113 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -9.767 14.622 -9.802 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.467 15.749 -8.381 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -12.118 14.353 -9.218 1.00 0.00 H new ATOM 0 HE ARG A 5 -11.357 14.394 -6.316 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -13.234 13.140 -9.032 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -14.233 12.099 -8.013 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -12.642 13.051 -5.014 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -13.898 12.049 -5.747 1.00 0.00 H new ATOM 106 N SER A 6 -9.408 10.002 -9.758 1.00 0.00 N ATOM 107 CA SER A 6 -9.428 8.544 -9.696 1.00 0.00 C ATOM 108 C SER A 6 -8.431 7.941 -10.665 1.00 0.00 C ATOM 109 O SER A 6 -7.837 8.640 -11.487 1.00 0.00 O ATOM 110 CB SER A 6 -10.811 8.003 -10.037 1.00 0.00 C ATOM 111 OG SER A 6 -11.782 8.437 -9.102 1.00 0.00 O ATOM 0 H SER A 6 -10.196 10.414 -10.258 1.00 0.00 H new ATOM 0 HA SER A 6 -9.162 8.267 -8.676 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.095 8.331 -11.037 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.783 6.914 -10.055 1.00 0.00 H new ATOM 0 HG SER A 6 -12.659 8.075 -9.349 1.00 0.00 H new ATOM 117 N VAL A 7 -8.256 6.631 -10.561 1.00 0.00 N ATOM 118 CA VAL A 7 -7.366 5.916 -11.424 1.00 0.00 C ATOM 119 C VAL A 7 -8.129 4.935 -12.306 1.00 0.00 C ATOM 120 O VAL A 7 -8.918 4.121 -11.827 1.00 0.00 O ATOM 121 CB VAL A 7 -6.329 5.146 -10.613 1.00 0.00 C ATOM 122 CG1 VAL A 7 -5.333 6.099 -9.969 1.00 0.00 C ATOM 123 CG2 VAL A 7 -7.007 4.278 -9.562 1.00 0.00 C ATOM 0 H VAL A 7 -8.732 6.048 -9.873 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.865 6.651 -12.054 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.781 4.492 -11.291 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.602 5.529 -9.395 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.821 6.669 -10.744 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.861 6.783 -9.305 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.250 3.737 -8.994 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.585 4.909 -8.887 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.671 3.566 -10.052 1.00 0.00 H new ATOM 133 N GLN A 8 -7.881 5.037 -13.594 1.00 0.00 N ATOM 134 CA GLN A 8 -8.502 4.172 -14.586 1.00 0.00 C ATOM 135 C GLN A 8 -7.403 3.440 -15.310 1.00 0.00 C ATOM 136 O GLN A 8 -7.566 2.960 -16.431 1.00 0.00 O ATOM 137 CB GLN A 8 -9.286 5.007 -15.590 1.00 0.00 C ATOM 138 CG GLN A 8 -8.398 5.976 -16.355 1.00 0.00 C ATOM 139 CD GLN A 8 -9.164 6.790 -17.379 1.00 0.00 C ATOM 140 OE1 GLN A 8 -9.670 7.870 -17.078 1.00 0.00 O ATOM 141 NE2 GLN A 8 -9.251 6.274 -18.599 1.00 0.00 N ATOM 0 H GLN A 8 -7.240 5.725 -13.989 1.00 0.00 H new ATOM 0 HA GLN A 8 -9.184 3.475 -14.099 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.789 4.345 -16.295 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.062 5.565 -15.067 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.913 6.651 -15.650 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -7.608 5.418 -16.858 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -8.816 5.375 -18.805 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.753 6.777 -19.331 1.00 0.00 H new ATOM 150 N TRP A 9 -6.276 3.385 -14.639 1.00 0.00 N ATOM 151 CA TRP A 9 -5.076 2.800 -15.184 1.00 0.00 C ATOM 152 C TRP A 9 -4.247 2.108 -14.114 1.00 0.00 C ATOM 153 O TRP A 9 -4.738 1.752 -13.043 1.00 0.00 O ATOM 154 CB TRP A 9 -4.255 3.951 -15.743 1.00 0.00 C ATOM 155 CG TRP A 9 -3.880 4.924 -14.672 1.00 0.00 C ATOM 156 CD1 TRP A 9 -4.721 5.703 -13.961 1.00 0.00 C ATOM 157 CD2 TRP A 9 -2.583 5.186 -14.174 1.00 0.00 C ATOM 158 NE1 TRP A 9 -4.034 6.455 -13.049 1.00 0.00 N ATOM 159 CE2 TRP A 9 -2.707 6.152 -13.160 1.00 0.00 C ATOM 160 CE3 TRP A 9 -1.339 4.694 -14.495 1.00 0.00 C ATOM 161 CZ2 TRP A 9 -1.612 6.634 -12.460 1.00 0.00 C ATOM 162 CZ3 TRP A 9 -0.240 5.168 -13.801 1.00 0.00 C ATOM 163 CH2 TRP A 9 -0.388 6.131 -12.791 1.00 0.00 C ATOM 0 H TRP A 9 -6.167 3.748 -13.692 1.00 0.00 H new ATOM 0 HA TRP A 9 -5.342 2.056 -15.935 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -3.353 3.561 -16.215 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -4.824 4.463 -16.519 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -5.792 5.729 -14.094 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -4.442 7.126 -12.398 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -1.223 3.953 -15.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -1.723 7.377 -11.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.744 4.792 -14.039 1.00 0.00 H new ATOM 0 HH2 TRP A 9 0.487 6.482 -12.264 1.00 0.00 H new ATOM 174 N CYS A 10 -2.980 1.917 -14.455 1.00 0.00 N ATOM 175 CA CYS A 10 -1.985 1.351 -13.570 1.00 0.00 C ATOM 176 C CYS A 10 -1.761 2.269 -12.399 1.00 0.00 C ATOM 177 O CYS A 10 -0.728 2.915 -12.305 1.00 0.00 O ATOM 178 CB CYS A 10 -0.708 1.232 -14.355 1.00 0.00 C ATOM 179 SG CYS A 10 0.749 0.714 -13.393 1.00 0.00 S ATOM 0 H CYS A 10 -2.613 2.158 -15.376 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.312 0.381 -13.196 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.863 0.517 -15.163 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.494 2.195 -14.818 1.00 0.00 H new ATOM 184 N ALA A 11 -2.720 2.303 -11.510 1.00 0.00 N ATOM 185 CA ALA A 11 -2.656 3.186 -10.360 1.00 0.00 C ATOM 186 C ALA A 11 -1.389 2.987 -9.541 1.00 0.00 C ATOM 187 O ALA A 11 -1.409 2.365 -8.478 1.00 0.00 O ATOM 188 CB ALA A 11 -3.874 3.021 -9.486 1.00 0.00 C ATOM 0 H ALA A 11 -3.561 1.728 -11.556 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.633 4.204 -10.750 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.802 3.693 -8.631 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.769 3.259 -10.061 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.932 1.991 -9.134 1.00 0.00 H new ATOM 194 N VAL A 12 -0.292 3.519 -10.051 1.00 0.00 N ATOM 195 CA VAL A 12 0.994 3.440 -9.374 1.00 0.00 C ATOM 196 C VAL A 12 0.923 4.095 -7.997 1.00 0.00 C ATOM 197 O VAL A 12 1.816 3.923 -7.168 1.00 0.00 O ATOM 198 CB VAL A 12 2.095 4.130 -10.201 1.00 0.00 C ATOM 199 CG1 VAL A 12 2.143 3.556 -11.609 1.00 0.00 C ATOM 200 CG2 VAL A 12 1.864 5.633 -10.241 1.00 0.00 C ATOM 0 H VAL A 12 -0.265 4.016 -10.941 1.00 0.00 H new ATOM 0 HA VAL A 12 1.238 2.384 -9.261 1.00 0.00 H new ATOM 0 HB VAL A 12 3.057 3.943 -9.723 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.927 4.055 -12.179 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.355 2.488 -11.559 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.182 3.713 -12.099 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.650 6.106 -10.829 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.896 5.840 -10.696 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.880 6.031 -9.226 1.00 0.00 H new ATOM 210 N SER A 13 -0.147 4.851 -7.765 1.00 0.00 N ATOM 211 CA SER A 13 -0.345 5.542 -6.496 1.00 0.00 C ATOM 212 C SER A 13 -0.769 4.573 -5.395 1.00 0.00 C ATOM 213 O SER A 13 -1.091 4.993 -4.284 1.00 0.00 O ATOM 214 CB SER A 13 -1.398 6.641 -6.650 1.00 0.00 C ATOM 215 OG SER A 13 -1.017 7.579 -7.642 1.00 0.00 O ATOM 0 H SER A 13 -0.893 5.000 -8.444 1.00 0.00 H new ATOM 0 HA SER A 13 0.607 5.989 -6.210 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.357 6.195 -6.916 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.537 7.151 -5.697 1.00 0.00 H new ATOM 0 HG SER A 13 -1.708 8.270 -7.722 1.00 0.00 H new ATOM 221 N GLN A 14 -0.772 3.278 -5.706 1.00 0.00 N ATOM 222 CA GLN A 14 -1.157 2.265 -4.730 1.00 0.00 C ATOM 223 C GLN A 14 -0.286 2.372 -3.480 1.00 0.00 C ATOM 224 O GLN A 14 0.881 2.754 -3.566 1.00 0.00 O ATOM 225 CB GLN A 14 -1.041 0.862 -5.335 1.00 0.00 C ATOM 226 CG GLN A 14 0.372 0.485 -5.757 1.00 0.00 C ATOM 227 CD GLN A 14 0.420 -0.798 -6.566 1.00 0.00 C ATOM 228 OE1 GLN A 14 1.396 -1.547 -6.504 1.00 0.00 O ATOM 229 NE2 GLN A 14 -0.631 -1.054 -7.338 1.00 0.00 N ATOM 0 H GLN A 14 -0.514 2.909 -6.621 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.196 2.437 -4.450 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -1.399 0.133 -4.608 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -1.698 0.796 -6.202 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.800 1.297 -6.346 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.994 0.373 -4.869 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.418 -0.406 -7.359 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.650 -1.899 -7.910 1.00 0.00 H new ATOM 238 N PRO A 15 -0.843 2.041 -2.298 1.00 0.00 N ATOM 239 CA PRO A 15 -0.108 2.110 -1.031 1.00 0.00 C ATOM 240 C PRO A 15 0.950 1.018 -0.906 1.00 0.00 C ATOM 241 O PRO A 15 1.318 0.627 0.202 1.00 0.00 O ATOM 242 CB PRO A 15 -1.193 1.919 0.041 1.00 0.00 C ATOM 243 CG PRO A 15 -2.498 2.009 -0.679 1.00 0.00 C ATOM 244 CD PRO A 15 -2.224 1.586 -2.092 1.00 0.00 C ATOM 0 HA PRO A 15 0.436 3.050 -0.941 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.086 0.955 0.538 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.119 2.685 0.813 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.244 1.362 -0.216 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.892 3.025 -0.646 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.319 0.508 -2.218 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.914 2.051 -2.796 1.00 0.00 H new ATOM 252 N GLU A 16 1.439 0.526 -2.042 1.00 0.00 N ATOM 253 CA GLU A 16 2.453 -0.521 -2.041 1.00 0.00 C ATOM 254 C GLU A 16 3.122 -0.650 -3.407 1.00 0.00 C ATOM 255 O GLU A 16 3.466 -1.753 -3.833 1.00 0.00 O ATOM 256 CB GLU A 16 1.829 -1.859 -1.638 1.00 0.00 C ATOM 257 CG GLU A 16 0.721 -2.319 -2.573 1.00 0.00 C ATOM 258 CD GLU A 16 0.215 -3.708 -2.238 1.00 0.00 C ATOM 259 OE1 GLU A 16 -0.727 -3.816 -1.425 1.00 0.00 O ATOM 260 OE2 GLU A 16 0.757 -4.688 -2.792 1.00 0.00 O ATOM 0 H GLU A 16 1.150 0.835 -2.970 1.00 0.00 H new ATOM 0 HA GLU A 16 3.217 -0.245 -1.315 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.609 -2.620 -1.609 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.429 -1.774 -0.628 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.108 -1.613 -2.524 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.089 -2.308 -3.599 1.00 0.00 H new ATOM 267 N ALA A 17 3.307 0.475 -4.095 1.00 0.00 N ATOM 268 CA ALA A 17 3.948 0.458 -5.407 1.00 0.00 C ATOM 269 C ALA A 17 5.430 0.167 -5.271 1.00 0.00 C ATOM 270 O ALA A 17 6.147 0.015 -6.261 1.00 0.00 O ATOM 271 CB ALA A 17 3.735 1.772 -6.139 1.00 0.00 C ATOM 0 H ALA A 17 3.025 1.400 -3.770 1.00 0.00 H new ATOM 0 HA ALA A 17 3.486 -0.336 -5.994 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.224 1.730 -7.112 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.667 1.943 -6.276 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.161 2.587 -5.554 1.00 0.00 H new ATOM 277 N THR A 18 5.874 0.094 -4.032 1.00 0.00 N ATOM 278 CA THR A 18 7.264 -0.191 -3.726 1.00 0.00 C ATOM 279 C THR A 18 7.424 -1.667 -3.392 1.00 0.00 C ATOM 280 O THR A 18 8.537 -2.168 -3.232 1.00 0.00 O ATOM 281 CB THR A 18 7.768 0.663 -2.544 1.00 0.00 C ATOM 282 OG1 THR A 18 7.386 2.031 -2.733 1.00 0.00 O ATOM 283 CG2 THR A 18 9.281 0.575 -2.412 1.00 0.00 C ATOM 0 H THR A 18 5.285 0.230 -3.211 1.00 0.00 H new ATOM 0 HA THR A 18 7.860 0.058 -4.604 1.00 0.00 H new ATOM 0 HB THR A 18 7.316 0.276 -1.631 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.707 2.568 -1.979 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.609 1.186 -1.571 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.572 -0.462 -2.242 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.748 0.937 -3.328 1.00 0.00 H new ATOM 291 N LYS A 19 6.290 -2.360 -3.296 1.00 0.00 N ATOM 292 CA LYS A 19 6.290 -3.780 -2.980 1.00 0.00 C ATOM 293 C LYS A 19 5.510 -4.589 -4.006 1.00 0.00 C ATOM 294 O LYS A 19 4.280 -4.641 -3.972 1.00 0.00 O ATOM 295 CB LYS A 19 5.690 -4.034 -1.605 1.00 0.00 C ATOM 296 CG LYS A 19 5.718 -5.507 -1.223 1.00 0.00 C ATOM 297 CD LYS A 19 4.653 -5.855 -0.194 1.00 0.00 C ATOM 298 CE LYS A 19 4.993 -5.306 1.184 1.00 0.00 C ATOM 299 NZ LYS A 19 4.831 -3.828 1.257 1.00 0.00 N ATOM 0 H LYS A 19 5.363 -1.958 -3.433 1.00 0.00 H new ATOM 0 HA LYS A 19 7.332 -4.099 -2.994 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.239 -3.458 -0.860 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.660 -3.677 -1.589 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.570 -6.115 -2.116 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.701 -5.759 -0.825 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.692 -5.455 -0.517 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.544 -6.938 -0.136 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.352 -5.777 1.929 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.020 -5.570 1.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.424 -3.568 2.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.759 -3.371 1.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.197 -3.510 0.496 1.00 0.00 H new ATOM 313 N CYS A 20 6.234 -5.215 -4.915 1.00 0.00 N ATOM 314 CA CYS A 20 5.633 -6.056 -5.934 1.00 0.00 C ATOM 315 C CYS A 20 6.577 -7.212 -6.240 1.00 0.00 C ATOM 316 O CYS A 20 7.032 -7.380 -7.373 1.00 0.00 O ATOM 317 CB CYS A 20 5.319 -5.233 -7.192 1.00 0.00 C ATOM 318 SG CYS A 20 4.681 -6.196 -8.608 1.00 0.00 S ATOM 0 H CYS A 20 7.251 -5.156 -4.968 1.00 0.00 H new ATOM 0 HA CYS A 20 4.689 -6.462 -5.572 1.00 0.00 H new ATOM 0 HB2 CYS A 20 4.587 -4.468 -6.934 1.00 0.00 H new ATOM 0 HB3 CYS A 20 6.226 -4.715 -7.504 1.00 0.00 H new ATOM 323 N PHE A 21 6.879 -8.007 -5.210 1.00 0.00 N ATOM 324 CA PHE A 21 7.789 -9.131 -5.368 1.00 0.00 C ATOM 325 C PHE A 21 7.405 -10.335 -4.498 1.00 0.00 C ATOM 326 O PHE A 21 7.053 -11.388 -5.029 1.00 0.00 O ATOM 327 CB PHE A 21 9.223 -8.684 -5.076 1.00 0.00 C ATOM 328 CG PHE A 21 9.458 -8.186 -3.676 1.00 0.00 C ATOM 329 CD1 PHE A 21 8.951 -6.962 -3.266 1.00 0.00 C ATOM 330 CD2 PHE A 21 10.190 -8.939 -2.772 1.00 0.00 C ATOM 331 CE1 PHE A 21 9.167 -6.501 -1.981 1.00 0.00 C ATOM 332 CE2 PHE A 21 10.411 -8.483 -1.485 1.00 0.00 C ATOM 333 CZ PHE A 21 9.899 -7.262 -1.090 1.00 0.00 C ATOM 0 H PHE A 21 6.507 -7.890 -4.267 1.00 0.00 H new ATOM 0 HA PHE A 21 7.716 -9.465 -6.403 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.895 -9.521 -5.266 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.492 -7.894 -5.777 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.380 -6.362 -3.959 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.593 -9.894 -3.076 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.764 -5.547 -1.674 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.983 -9.080 -0.790 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.071 -6.903 -0.086 1.00 0.00 H new ATOM 343 N GLN A 22 7.472 -10.190 -3.173 1.00 0.00 N ATOM 344 CA GLN A 22 7.139 -11.299 -2.284 1.00 0.00 C ATOM 345 C GLN A 22 6.270 -10.856 -1.114 1.00 0.00 C ATOM 346 O GLN A 22 6.515 -9.827 -0.484 1.00 0.00 O ATOM 347 CB GLN A 22 8.397 -11.982 -1.760 1.00 0.00 C ATOM 348 CG GLN A 22 8.229 -13.485 -1.584 1.00 0.00 C ATOM 349 CD GLN A 22 9.487 -14.161 -1.078 1.00 0.00 C ATOM 350 OE1 GLN A 22 10.270 -13.569 -0.336 1.00 0.00 O ATOM 351 NE2 GLN A 22 9.688 -15.410 -1.484 1.00 0.00 N ATOM 0 H GLN A 22 7.749 -9.330 -2.700 1.00 0.00 H new ATOM 0 HA GLN A 22 6.568 -12.012 -2.879 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.220 -11.792 -2.449 1.00 0.00 H new ATOM 0 HB3 GLN A 22 8.673 -11.538 -0.803 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.414 -13.676 -0.886 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.942 -13.928 -2.538 1.00 0.00 H new ATOM 0 HE21 GLN A 22 9.011 -15.861 -2.100 1.00 0.00 H new ATOM 0 HE22 GLN A 22 10.519 -15.918 -1.180 1.00 0.00 H new ATOM 360 N TRP A 23 5.254 -11.664 -0.841 1.00 0.00 N ATOM 361 CA TRP A 23 4.291 -11.412 0.227 1.00 0.00 C ATOM 362 C TRP A 23 3.920 -12.733 0.888 1.00 0.00 C ATOM 363 O TRP A 23 4.572 -13.180 1.831 1.00 0.00 O ATOM 364 CB TRP A 23 3.046 -10.749 -0.382 1.00 0.00 C ATOM 365 CG TRP A 23 3.333 -10.227 -1.739 1.00 0.00 C ATOM 366 CD1 TRP A 23 3.981 -9.079 -2.056 1.00 0.00 C ATOM 367 CD2 TRP A 23 3.035 -10.877 -2.967 1.00 0.00 C ATOM 368 NE1 TRP A 23 4.118 -8.977 -3.411 1.00 0.00 N ATOM 369 CE2 TRP A 23 3.543 -10.070 -3.991 1.00 0.00 C ATOM 370 CE3 TRP A 23 2.390 -12.065 -3.300 1.00 0.00 C ATOM 371 CZ2 TRP A 23 3.437 -10.413 -5.321 1.00 0.00 C ATOM 372 CZ3 TRP A 23 2.279 -12.403 -4.629 1.00 0.00 C ATOM 373 CH2 TRP A 23 2.807 -11.582 -5.628 1.00 0.00 C ATOM 0 H TRP A 23 5.072 -12.523 -1.360 1.00 0.00 H new ATOM 0 HA TRP A 23 4.719 -10.751 0.981 1.00 0.00 H new ATOM 0 HB2 TRP A 23 2.232 -11.472 -0.431 1.00 0.00 H new ATOM 0 HB3 TRP A 23 2.711 -9.935 0.261 1.00 0.00 H new ATOM 0 HD1 TRP A 23 4.337 -8.352 -1.341 1.00 0.00 H new ATOM 0 HE1 TRP A 23 4.574 -8.211 -3.907 1.00 0.00 H new ATOM 0 HE3 TRP A 23 1.986 -12.707 -2.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 3.840 -9.777 -6.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 1.775 -13.318 -4.904 1.00 0.00 H new ATOM 0 HH2 TRP A 23 2.714 -11.879 -6.662 1.00 0.00 H new ATOM 384 N GLN A 24 2.862 -13.345 0.377 1.00 0.00 N ATOM 385 CA GLN A 24 2.393 -14.629 0.860 1.00 0.00 C ATOM 386 C GLN A 24 1.786 -15.401 -0.299 1.00 0.00 C ATOM 387 O GLN A 24 1.148 -14.813 -1.173 1.00 0.00 O ATOM 388 CB GLN A 24 1.368 -14.454 1.983 1.00 0.00 C ATOM 389 CG GLN A 24 0.288 -13.430 1.679 1.00 0.00 C ATOM 390 CD GLN A 24 0.769 -12.001 1.857 1.00 0.00 C ATOM 391 OE1 GLN A 24 0.314 -11.090 1.166 1.00 0.00 O ATOM 392 NE2 GLN A 24 1.690 -11.797 2.794 1.00 0.00 N ATOM 0 H GLN A 24 2.305 -12.961 -0.387 1.00 0.00 H new ATOM 0 HA GLN A 24 3.236 -15.185 1.270 1.00 0.00 H new ATOM 0 HB2 GLN A 24 0.896 -15.416 2.184 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.889 -14.158 2.894 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.059 -13.567 0.655 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.567 -13.605 2.332 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.040 -12.581 3.344 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.046 -10.856 2.962 1.00 0.00 H new ATOM 401 N ARG A 25 2.008 -16.710 -0.321 1.00 0.00 N ATOM 402 CA ARG A 25 1.462 -17.561 -1.379 1.00 0.00 C ATOM 403 C ARG A 25 -0.011 -17.248 -1.634 1.00 0.00 C ATOM 404 O ARG A 25 -0.556 -17.605 -2.677 1.00 0.00 O ATOM 405 CB ARG A 25 1.613 -19.039 -1.014 1.00 0.00 C ATOM 406 CG ARG A 25 1.034 -19.403 0.345 1.00 0.00 C ATOM 407 CD ARG A 25 2.059 -19.238 1.457 1.00 0.00 C ATOM 408 NE ARG A 25 1.830 -18.031 2.247 1.00 0.00 N ATOM 409 CZ ARG A 25 2.393 -17.811 3.433 1.00 0.00 C ATOM 410 NH1 ARG A 25 3.229 -18.703 3.949 1.00 0.00 N ATOM 411 NH2 ARG A 25 2.125 -16.699 4.103 1.00 0.00 N ATOM 0 H ARG A 25 2.560 -17.207 0.378 1.00 0.00 H new ATOM 0 HA ARG A 25 2.026 -17.355 -2.289 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.125 -19.643 -1.779 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.671 -19.300 -1.028 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.168 -18.774 0.552 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.681 -20.434 0.326 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.026 -20.109 2.111 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.059 -19.202 1.024 1.00 0.00 H new ATOM 0 HE ARG A 25 1.205 -17.318 1.870 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.441 -19.559 3.437 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.659 -18.533 4.858 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.485 -16.008 3.710 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.558 -16.534 5.012 1.00 0.00 H new ATOM 425 N ASN A 26 -0.651 -16.591 -0.676 1.00 0.00 N ATOM 426 CA ASN A 26 -2.055 -16.227 -0.807 1.00 0.00 C ATOM 427 C ASN A 26 -2.276 -14.762 -0.437 1.00 0.00 C ATOM 428 O ASN A 26 -3.014 -14.454 0.499 1.00 0.00 O ATOM 429 CB ASN A 26 -2.921 -17.129 0.078 1.00 0.00 C ATOM 430 CG ASN A 26 -4.404 -16.944 -0.181 1.00 0.00 C ATOM 431 OD1 ASN A 26 -5.226 -17.096 0.723 1.00 0.00 O ATOM 432 ND2 ASN A 26 -4.756 -16.620 -1.421 1.00 0.00 N ATOM 0 H ASN A 26 -0.220 -16.299 0.201 1.00 0.00 H new ATOM 0 HA ASN A 26 -2.346 -16.365 -1.848 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.652 -18.171 -0.097 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.709 -16.916 1.126 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.740 -16.488 -1.654 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.042 -16.504 -2.140 1.00 0.00 H new ATOM 439 N MET A 27 -1.627 -13.859 -1.176 1.00 0.00 N ATOM 440 CA MET A 27 -1.764 -12.427 -0.924 1.00 0.00 C ATOM 441 C MET A 27 -3.237 -12.027 -0.946 1.00 0.00 C ATOM 442 O MET A 27 -3.785 -11.570 0.058 1.00 0.00 O ATOM 443 CB MET A 27 -0.981 -11.616 -1.966 1.00 0.00 C ATOM 444 CG MET A 27 -1.185 -10.113 -1.850 1.00 0.00 C ATOM 445 SD MET A 27 -0.249 -9.188 -3.080 1.00 0.00 S ATOM 446 CE MET A 27 -0.679 -7.506 -2.638 1.00 0.00 C ATOM 0 H MET A 27 -1.005 -14.095 -1.949 1.00 0.00 H new ATOM 0 HA MET A 27 -1.353 -12.210 0.062 1.00 0.00 H new ATOM 0 HB2 MET A 27 0.081 -11.839 -1.863 1.00 0.00 H new ATOM 0 HB3 MET A 27 -1.279 -11.938 -2.964 1.00 0.00 H new ATOM 0 HG2 MET A 27 -2.245 -9.885 -1.959 1.00 0.00 H new ATOM 0 HG3 MET A 27 -0.889 -9.786 -0.853 1.00 0.00 H new ATOM 0 HE1 MET A 27 -0.469 -6.844 -3.478 1.00 0.00 H new ATOM 0 HE2 MET A 27 -1.740 -7.454 -2.392 1.00 0.00 H new ATOM 0 HE3 MET A 27 -0.090 -7.195 -1.775 1.00 0.00 H new ATOM 456 N ARG A 28 -3.867 -12.206 -2.101 1.00 0.00 N ATOM 457 CA ARG A 28 -5.278 -11.885 -2.271 1.00 0.00 C ATOM 458 C ARG A 28 -5.931 -12.876 -3.226 1.00 0.00 C ATOM 459 O ARG A 28 -6.993 -13.430 -2.937 1.00 0.00 O ATOM 460 CB ARG A 28 -5.452 -10.457 -2.796 1.00 0.00 C ATOM 461 CG ARG A 28 -4.983 -9.389 -1.823 1.00 0.00 C ATOM 462 CD ARG A 28 -5.363 -7.995 -2.297 1.00 0.00 C ATOM 463 NE ARG A 28 -4.830 -6.956 -1.419 1.00 0.00 N ATOM 464 CZ ARG A 28 -5.484 -5.840 -1.113 1.00 0.00 C ATOM 465 NH1 ARG A 28 -6.699 -5.623 -1.597 1.00 0.00 N ATOM 466 NH2 ARG A 28 -4.925 -4.940 -0.315 1.00 0.00 N ATOM 0 H ARG A 28 -3.418 -12.575 -2.939 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.764 -11.955 -1.298 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.900 -10.353 -3.730 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.504 -10.289 -3.027 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.421 -9.572 -0.842 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.901 -9.452 -1.706 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.989 -7.842 -3.309 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.449 -7.910 -2.342 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.903 -7.095 -1.018 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.136 -6.314 -2.207 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.197 -4.765 -1.359 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.992 -5.104 0.064 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.428 -4.084 -0.081 1.00 0.00 H new ATOM 480 N LYS A 29 -5.280 -13.095 -4.365 1.00 0.00 N ATOM 481 CA LYS A 29 -5.779 -14.023 -5.374 1.00 0.00 C ATOM 482 C LYS A 29 -4.631 -14.580 -6.209 1.00 0.00 C ATOM 483 O LYS A 29 -4.819 -14.967 -7.362 1.00 0.00 O ATOM 484 CB LYS A 29 -6.800 -13.332 -6.280 1.00 0.00 C ATOM 485 CG LYS A 29 -8.222 -13.394 -5.747 1.00 0.00 C ATOM 486 CD LYS A 29 -8.773 -14.811 -5.798 1.00 0.00 C ATOM 487 CE LYS A 29 -10.204 -14.873 -5.292 1.00 0.00 C ATOM 488 NZ LYS A 29 -10.732 -16.265 -5.284 1.00 0.00 N ATOM 0 H LYS A 29 -4.401 -12.640 -4.613 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.269 -14.851 -4.861 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.513 -12.288 -6.408 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.770 -13.794 -7.267 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.243 -13.031 -4.720 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.861 -12.732 -6.332 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.732 -15.181 -6.822 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.145 -15.468 -5.196 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.250 -14.462 -4.284 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.838 -14.248 -5.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.711 -16.263 -4.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.712 -16.649 -6.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.142 -16.856 -4.664 1.00 0.00 H new ATOM 502 N VAL A 30 -3.442 -14.620 -5.615 1.00 0.00 N ATOM 503 CA VAL A 30 -2.266 -15.131 -6.297 1.00 0.00 C ATOM 504 C VAL A 30 -2.208 -16.652 -6.203 1.00 0.00 C ATOM 505 O VAL A 30 -2.797 -17.249 -5.302 1.00 0.00 O ATOM 506 CB VAL A 30 -0.970 -14.524 -5.717 1.00 0.00 C ATOM 507 CG1 VAL A 30 -0.994 -13.006 -5.824 1.00 0.00 C ATOM 508 CG2 VAL A 30 -0.771 -14.953 -4.271 1.00 0.00 C ATOM 0 H VAL A 30 -3.271 -14.303 -4.661 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.344 -14.839 -7.344 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.130 -14.898 -6.302 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.072 -12.597 -5.410 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.081 -12.716 -6.871 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.846 -12.615 -5.268 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.148 -14.513 -3.884 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.616 -14.614 -3.671 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.703 -16.040 -4.220 1.00 0.00 H new ATOM 518 N ARG A 31 -1.504 -17.271 -7.143 1.00 0.00 N ATOM 519 CA ARG A 31 -1.368 -18.728 -7.174 1.00 0.00 C ATOM 520 C ARG A 31 -0.582 -19.225 -5.957 1.00 0.00 C ATOM 521 O ARG A 31 -0.916 -18.887 -4.822 1.00 0.00 O ATOM 522 CB ARG A 31 -0.691 -19.171 -8.476 1.00 0.00 C ATOM 523 CG ARG A 31 0.647 -18.495 -8.741 1.00 0.00 C ATOM 524 CD ARG A 31 0.550 -17.467 -9.859 1.00 0.00 C ATOM 525 NE ARG A 31 -0.019 -18.035 -11.078 1.00 0.00 N ATOM 526 CZ ARG A 31 -0.136 -17.362 -12.218 1.00 0.00 C ATOM 527 NH1 ARG A 31 0.279 -16.105 -12.298 1.00 0.00 N ATOM 528 NH2 ARG A 31 -0.670 -17.947 -13.281 1.00 0.00 N ATOM 0 H ARG A 31 -1.016 -16.788 -7.897 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.364 -19.169 -7.135 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.541 -20.250 -8.446 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.362 -18.965 -9.310 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.995 -18.009 -7.830 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.389 -19.249 -9.004 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.064 -16.629 -9.529 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.542 -17.070 -10.073 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.345 -19.001 -11.053 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.690 -15.651 -11.482 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.187 -15.592 -13.175 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.991 -18.913 -13.224 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.760 -17.431 -14.156 1.00 0.00 H new ATOM 542 N GLY A 32 0.446 -20.044 -6.185 1.00 0.00 N ATOM 543 CA GLY A 32 1.252 -20.540 -5.083 1.00 0.00 C ATOM 544 C GLY A 32 2.022 -19.417 -4.408 1.00 0.00 C ATOM 545 O GLY A 32 1.487 -18.320 -4.257 1.00 0.00 O ATOM 0 H GLY A 32 0.732 -20.370 -7.108 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.609 -21.032 -4.353 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.950 -21.292 -5.451 1.00 0.00 H new ATOM 549 N PRO A 33 3.282 -19.648 -3.988 1.00 0.00 N ATOM 550 CA PRO A 33 4.088 -18.607 -3.345 1.00 0.00 C ATOM 551 C PRO A 33 4.031 -17.298 -4.130 1.00 0.00 C ATOM 552 O PRO A 33 3.707 -17.311 -5.318 1.00 0.00 O ATOM 553 CB PRO A 33 5.497 -19.191 -3.362 1.00 0.00 C ATOM 554 CG PRO A 33 5.291 -20.667 -3.344 1.00 0.00 C ATOM 555 CD PRO A 33 4.019 -20.922 -4.109 1.00 0.00 C ATOM 0 HA PRO A 33 3.738 -18.361 -2.342 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.045 -18.878 -4.250 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.074 -18.860 -2.498 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.133 -21.183 -3.805 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.211 -21.037 -2.322 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.220 -21.172 -5.151 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.456 -21.753 -3.685 1.00 0.00 H new ATOM 563 N PRO A 34 4.331 -16.151 -3.489 1.00 0.00 N ATOM 564 CA PRO A 34 4.293 -14.850 -4.149 1.00 0.00 C ATOM 565 C PRO A 34 4.775 -14.899 -5.583 1.00 0.00 C ATOM 566 O PRO A 34 5.842 -15.439 -5.877 1.00 0.00 O ATOM 567 CB PRO A 34 5.214 -14.008 -3.290 1.00 0.00 C ATOM 568 CG PRO A 34 4.958 -14.525 -1.925 1.00 0.00 C ATOM 569 CD PRO A 34 4.730 -16.014 -2.073 1.00 0.00 C ATOM 0 HA PRO A 34 3.279 -14.458 -4.226 1.00 0.00 H new ATOM 0 HB2 PRO A 34 6.258 -14.129 -3.579 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.982 -12.946 -3.370 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.804 -14.324 -1.268 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.088 -14.040 -1.482 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.632 -16.584 -1.851 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.952 -16.372 -1.398 1.00 0.00 H new ATOM 577 N VAL A 35 3.978 -14.325 -6.468 1.00 0.00 N ATOM 578 CA VAL A 35 4.304 -14.329 -7.886 1.00 0.00 C ATOM 579 C VAL A 35 3.839 -13.054 -8.594 1.00 0.00 C ATOM 580 O VAL A 35 4.660 -12.242 -9.021 1.00 0.00 O ATOM 581 CB VAL A 35 3.695 -15.573 -8.571 1.00 0.00 C ATOM 582 CG1 VAL A 35 3.526 -15.359 -10.070 1.00 0.00 C ATOM 583 CG2 VAL A 35 4.564 -16.794 -8.308 1.00 0.00 C ATOM 0 H VAL A 35 3.105 -13.853 -6.233 1.00 0.00 H new ATOM 0 HA VAL A 35 5.390 -14.365 -7.967 1.00 0.00 H new ATOM 0 HB VAL A 35 2.705 -15.739 -8.145 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.095 -16.254 -10.519 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.864 -14.511 -10.244 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.498 -15.159 -10.521 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.125 -17.665 -8.795 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.564 -16.621 -8.705 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.626 -16.972 -7.234 1.00 0.00 H new ATOM 593 N SER A 36 2.527 -12.884 -8.717 1.00 0.00 N ATOM 594 CA SER A 36 1.971 -11.718 -9.399 1.00 0.00 C ATOM 595 C SER A 36 1.363 -10.718 -8.420 1.00 0.00 C ATOM 596 O SER A 36 0.499 -11.067 -7.616 1.00 0.00 O ATOM 597 CB SER A 36 0.910 -12.158 -10.409 1.00 0.00 C ATOM 598 OG SER A 36 1.462 -13.023 -11.386 1.00 0.00 O ATOM 0 H SER A 36 1.830 -13.535 -8.355 1.00 0.00 H new ATOM 0 HA SER A 36 2.792 -11.221 -9.916 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.097 -12.664 -9.889 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.481 -11.282 -10.895 1.00 0.00 H new ATOM 0 HG SER A 36 0.763 -13.291 -12.018 1.00 0.00 H new ATOM 604 N CYS A 37 1.821 -9.471 -8.501 1.00 0.00 N ATOM 605 CA CYS A 37 1.317 -8.408 -7.638 1.00 0.00 C ATOM 606 C CYS A 37 0.382 -7.498 -8.417 1.00 0.00 C ATOM 607 O CYS A 37 -0.620 -7.017 -7.888 1.00 0.00 O ATOM 608 CB CYS A 37 2.475 -7.596 -7.054 1.00 0.00 C ATOM 609 SG CYS A 37 4.091 -7.966 -7.806 1.00 0.00 S ATOM 0 H CYS A 37 2.542 -9.172 -9.158 1.00 0.00 H new ATOM 0 HA CYS A 37 0.764 -8.864 -6.817 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.261 -6.535 -7.180 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.533 -7.784 -5.982 1.00 0.00 H new ATOM 614 N ILE A 38 0.729 -7.260 -9.677 1.00 0.00 N ATOM 615 CA ILE A 38 -0.077 -6.422 -10.551 1.00 0.00 C ATOM 616 C ILE A 38 -1.540 -6.854 -10.528 1.00 0.00 C ATOM 617 O ILE A 38 -2.445 -6.019 -10.513 1.00 0.00 O ATOM 618 CB ILE A 38 0.441 -6.479 -12.003 1.00 0.00 C ATOM 619 CG1 ILE A 38 1.874 -5.941 -12.089 1.00 0.00 C ATOM 620 CG2 ILE A 38 -0.483 -5.703 -12.928 1.00 0.00 C ATOM 621 CD1 ILE A 38 2.016 -4.492 -11.668 1.00 0.00 C ATOM 0 H ILE A 38 1.568 -7.639 -10.116 1.00 0.00 H new ATOM 0 HA ILE A 38 0.002 -5.400 -10.180 1.00 0.00 H new ATOM 0 HB ILE A 38 0.451 -7.521 -12.324 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.520 -6.556 -11.462 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.230 -6.047 -13.114 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.103 -5.754 -13.948 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.482 -6.136 -12.891 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.527 -4.662 -12.608 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.059 -4.188 -11.757 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.398 -3.864 -12.310 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.693 -4.381 -10.633 1.00 0.00 H new ATOM 633 N LYS A 39 -1.764 -8.165 -10.522 1.00 0.00 N ATOM 634 CA LYS A 39 -3.115 -8.714 -10.500 1.00 0.00 C ATOM 635 C LYS A 39 -3.804 -8.403 -9.173 1.00 0.00 C ATOM 636 O LYS A 39 -3.754 -9.201 -8.236 1.00 0.00 O ATOM 637 CB LYS A 39 -3.077 -10.229 -10.725 1.00 0.00 C ATOM 638 CG LYS A 39 -2.210 -10.655 -11.901 1.00 0.00 C ATOM 639 CD LYS A 39 -2.745 -10.122 -13.222 1.00 0.00 C ATOM 640 CE LYS A 39 -1.893 -10.584 -14.394 1.00 0.00 C ATOM 641 NZ LYS A 39 -1.894 -12.067 -14.533 1.00 0.00 N ATOM 0 H LYS A 39 -1.025 -8.868 -10.532 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.684 -8.249 -11.305 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.708 -10.712 -9.820 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.093 -10.588 -10.886 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.192 -10.296 -11.750 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.162 -11.743 -11.941 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.772 -10.458 -13.362 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.767 -9.033 -13.194 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.266 -10.133 -15.314 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.870 -10.233 -14.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.508 -12.329 -15.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.307 -12.486 -13.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.868 -12.423 -14.449 1.00 0.00 H new ATOM 655 N ARG A 40 -4.443 -7.239 -9.098 1.00 0.00 N ATOM 656 CA ARG A 40 -5.138 -6.826 -7.882 1.00 0.00 C ATOM 657 C ARG A 40 -6.628 -7.141 -7.964 1.00 0.00 C ATOM 658 O ARG A 40 -7.165 -7.865 -7.126 1.00 0.00 O ATOM 659 CB ARG A 40 -4.939 -5.328 -7.638 1.00 0.00 C ATOM 660 CG ARG A 40 -3.489 -4.933 -7.414 1.00 0.00 C ATOM 661 CD ARG A 40 -3.370 -3.475 -6.997 1.00 0.00 C ATOM 662 NE ARG A 40 -3.921 -2.573 -8.004 1.00 0.00 N ATOM 663 CZ ARG A 40 -4.435 -1.378 -7.722 1.00 0.00 C ATOM 664 NH1 ARG A 40 -4.480 -0.950 -6.467 1.00 0.00 N ATOM 665 NH2 ARG A 40 -4.909 -0.613 -8.695 1.00 0.00 N ATOM 0 H ARG A 40 -4.494 -6.566 -9.863 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.713 -7.386 -7.049 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.329 -4.775 -8.492 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.526 -5.029 -6.770 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.051 -5.570 -6.645 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.919 -5.099 -8.328 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.891 -3.324 -6.051 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.322 -3.231 -6.826 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.912 -2.875 -8.978 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.120 -1.537 -5.715 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.875 -0.034 -6.254 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.880 -0.940 -9.661 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.303 0.303 -8.478 1.00 0.00 H new ATOM 679 N ASP A 41 -7.292 -6.592 -8.977 1.00 0.00 N ATOM 680 CA ASP A 41 -8.719 -6.813 -9.164 1.00 0.00 C ATOM 681 C ASP A 41 -9.031 -7.138 -10.620 1.00 0.00 C ATOM 682 O ASP A 41 -8.127 -7.399 -11.415 1.00 0.00 O ATOM 683 CB ASP A 41 -9.508 -5.579 -8.720 1.00 0.00 C ATOM 684 CG ASP A 41 -9.346 -5.290 -7.240 1.00 0.00 C ATOM 685 OD1 ASP A 41 -8.308 -4.711 -6.858 1.00 0.00 O ATOM 686 OD2 ASP A 41 -10.259 -5.642 -6.463 1.00 0.00 O ATOM 0 H ASP A 41 -6.863 -5.991 -9.680 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.016 -7.664 -8.551 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.177 -4.714 -9.295 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.564 -5.726 -8.945 1.00 0.00 H new ATOM 691 N SER A 42 -10.312 -7.122 -10.962 1.00 0.00 N ATOM 692 CA SER A 42 -10.746 -7.419 -12.323 1.00 0.00 C ATOM 693 C SER A 42 -10.531 -6.225 -13.262 1.00 0.00 C ATOM 694 O SER A 42 -10.026 -6.394 -14.372 1.00 0.00 O ATOM 695 CB SER A 42 -12.217 -7.837 -12.331 1.00 0.00 C ATOM 696 OG SER A 42 -12.425 -8.981 -11.521 1.00 0.00 O ATOM 0 H SER A 42 -11.071 -6.906 -10.316 1.00 0.00 H new ATOM 0 HA SER A 42 -10.136 -8.244 -12.690 1.00 0.00 H new ATOM 0 HB2 SER A 42 -12.834 -7.014 -11.970 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.533 -8.048 -13.353 1.00 0.00 H new ATOM 0 HG SER A 42 -13.373 -9.228 -11.541 1.00 0.00 H new ATOM 702 N PRO A 43 -10.912 -5.002 -12.836 1.00 0.00 N ATOM 703 CA PRO A 43 -10.754 -3.795 -13.660 1.00 0.00 C ATOM 704 C PRO A 43 -9.309 -3.567 -14.090 1.00 0.00 C ATOM 705 O PRO A 43 -8.402 -4.273 -13.649 1.00 0.00 O ATOM 706 CB PRO A 43 -11.221 -2.664 -12.738 1.00 0.00 C ATOM 707 CG PRO A 43 -12.100 -3.327 -11.735 1.00 0.00 C ATOM 708 CD PRO A 43 -11.520 -4.695 -11.529 1.00 0.00 C ATOM 0 HA PRO A 43 -11.319 -3.865 -14.589 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -10.376 -2.171 -12.258 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -11.763 -1.899 -13.294 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -12.121 -2.766 -10.801 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -13.128 -3.387 -12.094 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.780 -4.703 -10.729 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -12.287 -5.422 -11.261 1.00 0.00 H new ATOM 716 N ILE A 44 -9.105 -2.575 -14.955 1.00 0.00 N ATOM 717 CA ILE A 44 -7.774 -2.240 -15.456 1.00 0.00 C ATOM 718 C ILE A 44 -6.761 -2.140 -14.317 1.00 0.00 C ATOM 719 O ILE A 44 -6.685 -1.129 -13.620 1.00 0.00 O ATOM 720 CB ILE A 44 -7.800 -0.912 -16.251 1.00 0.00 C ATOM 721 CG1 ILE A 44 -6.380 -0.463 -16.626 1.00 0.00 C ATOM 722 CG2 ILE A 44 -8.516 0.173 -15.462 1.00 0.00 C ATOM 723 CD1 ILE A 44 -6.351 0.498 -17.794 1.00 0.00 C ATOM 0 H ILE A 44 -9.851 -1.986 -15.325 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.467 -3.045 -16.123 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.352 -1.085 -17.175 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.915 0.011 -15.762 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.780 -1.340 -16.870 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.523 1.098 -16.039 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -9.541 -0.138 -15.263 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.998 0.338 -14.518 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.320 0.778 -18.010 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.788 0.019 -18.670 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.924 1.391 -17.545 1.00 0.00 H new ATOM 735 N GLN A 45 -5.984 -3.205 -14.132 1.00 0.00 N ATOM 736 CA GLN A 45 -4.977 -3.232 -13.082 1.00 0.00 C ATOM 737 C GLN A 45 -3.847 -2.266 -13.410 1.00 0.00 C ATOM 738 O GLN A 45 -3.897 -1.095 -13.039 1.00 0.00 O ATOM 739 CB GLN A 45 -4.419 -4.647 -12.887 1.00 0.00 C ATOM 740 CG GLN A 45 -5.487 -5.712 -12.699 1.00 0.00 C ATOM 741 CD GLN A 45 -6.103 -6.168 -14.009 1.00 0.00 C ATOM 742 OE1 GLN A 45 -7.262 -6.580 -14.052 1.00 0.00 O ATOM 743 NE2 GLN A 45 -5.328 -6.098 -15.087 1.00 0.00 N ATOM 0 H GLN A 45 -6.034 -4.055 -14.694 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.453 -2.922 -12.152 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.808 -4.908 -13.751 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -3.760 -4.650 -12.019 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -5.050 -6.571 -12.190 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.272 -5.322 -12.051 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.373 -5.750 -15.007 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.689 -6.392 -15.995 1.00 0.00 H new ATOM 752 N CYS A 46 -2.826 -2.761 -14.107 1.00 0.00 N ATOM 753 CA CYS A 46 -1.696 -1.930 -14.483 1.00 0.00 C ATOM 754 C CYS A 46 -1.125 -2.332 -15.835 1.00 0.00 C ATOM 755 O CYS A 46 -1.095 -3.512 -16.187 1.00 0.00 O ATOM 756 CB CYS A 46 -0.618 -1.988 -13.407 1.00 0.00 C ATOM 757 SG CYS A 46 0.972 -1.240 -13.888 1.00 0.00 S ATOM 0 H CYS A 46 -2.763 -3.730 -14.419 1.00 0.00 H new ATOM 0 HA CYS A 46 -2.053 -0.904 -14.573 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -0.987 -1.484 -12.514 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.448 -3.030 -13.137 1.00 0.00 H new ATOM 762 N ILE A 47 -0.672 -1.335 -16.587 1.00 0.00 N ATOM 763 CA ILE A 47 -0.104 -1.565 -17.904 1.00 0.00 C ATOM 764 C ILE A 47 1.326 -1.038 -17.993 1.00 0.00 C ATOM 765 O ILE A 47 2.284 -1.779 -17.773 1.00 0.00 O ATOM 766 CB ILE A 47 -0.960 -0.893 -18.992 1.00 0.00 C ATOM 767 CG1 ILE A 47 -2.422 -1.304 -18.834 1.00 0.00 C ATOM 768 CG2 ILE A 47 -0.446 -1.257 -20.377 1.00 0.00 C ATOM 769 CD1 ILE A 47 -3.395 -0.205 -19.187 1.00 0.00 C ATOM 0 H ILE A 47 -0.689 -0.356 -16.302 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.092 -2.643 -18.066 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.887 0.189 -18.878 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.619 -2.170 -19.466 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.595 -1.615 -17.804 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.064 -0.773 -21.133 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.586 -0.922 -20.482 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.491 -2.338 -20.509 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.415 -0.565 -19.052 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.225 0.654 -18.538 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.249 0.091 -20.226 1.00 0.00 H new ATOM 781 N GLN A 48 1.462 0.247 -18.314 1.00 0.00 N ATOM 782 CA GLN A 48 2.775 0.874 -18.429 1.00 0.00 C ATOM 783 C GLN A 48 2.648 2.395 -18.448 1.00 0.00 C ATOM 784 O GLN A 48 2.279 2.983 -19.465 1.00 0.00 O ATOM 785 CB GLN A 48 3.486 0.391 -19.695 1.00 0.00 C ATOM 786 CG GLN A 48 4.915 0.894 -19.823 1.00 0.00 C ATOM 787 CD GLN A 48 5.788 0.480 -18.652 1.00 0.00 C ATOM 788 OE1 GLN A 48 5.880 1.190 -17.651 1.00 0.00 O ATOM 789 NE2 GLN A 48 6.434 -0.674 -18.774 1.00 0.00 N ATOM 0 H GLN A 48 0.679 0.873 -18.499 1.00 0.00 H new ATOM 0 HA GLN A 48 3.367 0.587 -17.560 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.492 -0.699 -19.705 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.917 0.714 -20.567 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.349 0.512 -20.747 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.908 1.981 -19.899 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.328 -1.230 -19.622 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.036 -1.004 -18.019 1.00 0.00 H new ATOM 798 N ALA A 49 2.956 3.027 -17.320 1.00 0.00 N ATOM 799 CA ALA A 49 2.875 4.479 -17.211 1.00 0.00 C ATOM 800 C ALA A 49 3.921 5.155 -18.092 1.00 0.00 C ATOM 801 O ALA A 49 5.060 5.348 -17.616 1.00 0.00 O ATOM 802 CB ALA A 49 3.042 4.912 -15.762 1.00 0.00 C ATOM 803 OXT ALA A 49 3.592 5.487 -19.250 1.00 0.00 O ATOM 0 H ALA A 49 3.264 2.557 -16.469 1.00 0.00 H new ATOM 0 HA ALA A 49 1.890 4.789 -17.559 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.979 5.998 -15.697 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.253 4.466 -15.156 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.013 4.582 -15.393 1.00 0.00 H new TER 809 ALA A 49