USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 372 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 Set 1.1: A 134 SER OG : rot 180:sc= 0.119 USER MOD Set 1.2: A 160 LYS NZ :NH3+ -120:sc= 0.0752 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 MET CE :methyl -145:sc= -0.405 (180deg=-1.64!) USER MOD Single : A 137 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0254) USER MOD Single : A 142 LYS NZ :NH3+ -146:sc= -0.327 (180deg=-1.41!) USER MOD Single : A 150 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.017) USER MOD Single : A 152 THR OG1 : rot -63:sc= 0.261 USER MOD Single : A 154 LYS NZ :NH3+ -100:sc= -0.285 (180deg=-1.1) USER MOD Single : A 155 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 126 6.082 5.885 17.055 1.00 0.00 N ATOM 2 CA ASN A 126 5.407 6.402 15.837 1.00 0.00 C ATOM 3 C ASN A 126 6.394 6.553 14.683 1.00 0.00 C ATOM 4 O ASN A 126 7.078 7.569 14.567 1.00 0.00 O ATOM 5 CB ASN A 126 4.770 7.754 16.171 1.00 0.00 C ATOM 6 CG ASN A 126 3.295 7.800 15.821 1.00 0.00 C ATOM 7 OD1 ASN A 126 2.920 8.166 14.707 1.00 0.00 O ATOM 8 ND2 ASN A 126 2.449 7.427 16.774 1.00 0.00 N ATOM 0 HA ASN A 126 4.641 5.694 15.522 1.00 0.00 H new ATOM 0 HB2 ASN A 126 4.895 7.959 17.234 1.00 0.00 H new ATOM 0 HB3 ASN A 126 5.294 8.543 15.631 1.00 0.00 H new ATOM 0 HD21 ASN A 126 1.445 7.437 16.597 1.00 0.00 H new ATOM 0 HD22 ASN A 126 2.804 7.131 17.683 1.00 0.00 H new ATOM 17 N ARG A 127 6.461 5.534 13.831 1.00 0.00 N ATOM 18 CA ARG A 127 7.364 5.554 12.686 1.00 0.00 C ATOM 19 C ARG A 127 6.715 6.247 11.492 1.00 0.00 C ATOM 20 O ARG A 127 5.607 6.776 11.595 1.00 0.00 O ATOM 21 CB ARG A 127 7.769 4.129 12.305 1.00 0.00 C ATOM 22 CG ARG A 127 6.597 3.256 11.885 1.00 0.00 C ATOM 23 CD ARG A 127 6.776 1.821 12.355 1.00 0.00 C ATOM 24 NE ARG A 127 5.796 0.921 11.750 1.00 0.00 N ATOM 25 CZ ARG A 127 5.833 0.535 10.476 1.00 0.00 C ATOM 26 NH1 ARG A 127 6.796 0.967 9.671 1.00 0.00 N ATOM 27 NH2 ARG A 127 4.903 -0.286 10.005 1.00 0.00 N ATOM 0 H ARG A 127 5.901 4.685 13.912 1.00 0.00 H new ATOM 0 HA ARG A 127 8.255 6.115 12.968 1.00 0.00 H new ATOM 0 HB2 ARG A 127 8.491 4.171 11.489 1.00 0.00 H new ATOM 0 HB3 ARG A 127 8.272 3.664 13.153 1.00 0.00 H new ATOM 0 HG2 ARG A 127 5.673 3.662 12.297 1.00 0.00 H new ATOM 0 HG3 ARG A 127 6.498 3.275 10.800 1.00 0.00 H new ATOM 0 HD2 ARG A 127 7.782 1.481 12.108 1.00 0.00 H new ATOM 0 HD3 ARG A 127 6.684 1.781 13.440 1.00 0.00 H new ATOM 0 HE ARG A 127 5.040 0.568 12.337 1.00 0.00 H new ATOM 0 HH11 ARG A 127 7.513 1.598 10.027 1.00 0.00 H new ATOM 0 HH12 ARG A 127 6.819 0.667 8.696 1.00 0.00 H new ATOM 0 HH21 ARG A 127 4.160 -0.621 10.619 1.00 0.00 H new ATOM 0 HH22 ARG A 127 4.931 -0.582 9.029 1.00 0.00 H new ATOM 41 N ARG A 128 7.411 6.242 10.360 1.00 0.00 N ATOM 42 CA ARG A 128 6.902 6.870 9.146 1.00 0.00 C ATOM 43 C ARG A 128 6.635 5.828 8.065 1.00 0.00 C ATOM 44 O ARG A 128 7.359 4.839 7.949 1.00 0.00 O ATOM 45 CB ARG A 128 7.897 7.911 8.632 1.00 0.00 C ATOM 46 CG ARG A 128 8.415 8.845 9.714 1.00 0.00 C ATOM 47 CD ARG A 128 8.959 10.135 9.122 1.00 0.00 C ATOM 48 NE ARG A 128 10.387 10.044 8.829 1.00 0.00 N ATOM 49 CZ ARG A 128 11.070 10.978 8.170 1.00 0.00 C ATOM 50 NH1 ARG A 128 10.460 12.072 7.734 1.00 0.00 N ATOM 51 NH2 ARG A 128 12.368 10.816 7.947 1.00 0.00 N ATOM 0 H ARG A 128 8.329 5.810 10.258 1.00 0.00 H new ATOM 0 HA ARG A 128 5.961 7.364 9.389 1.00 0.00 H new ATOM 0 HB2 ARG A 128 8.742 7.398 8.172 1.00 0.00 H new ATOM 0 HB3 ARG A 128 7.420 8.503 7.851 1.00 0.00 H new ATOM 0 HG2 ARG A 128 7.611 9.075 10.413 1.00 0.00 H new ATOM 0 HG3 ARG A 128 9.199 8.345 10.283 1.00 0.00 H new ATOM 0 HD2 ARG A 128 8.416 10.371 8.207 1.00 0.00 H new ATOM 0 HD3 ARG A 128 8.783 10.955 9.818 1.00 0.00 H new ATOM 0 HE ARG A 128 10.891 9.216 9.148 1.00 0.00 H new ATOM 0 HH11 ARG A 128 9.462 12.201 7.903 1.00 0.00 H new ATOM 0 HH12 ARG A 128 10.988 12.784 7.230 1.00 0.00 H new ATOM 0 HH21 ARG A 128 12.842 9.976 8.280 1.00 0.00 H new ATOM 0 HH22 ARG A 128 12.892 11.531 7.442 1.00 0.00 H new ATOM 65 N VAL A 129 5.590 6.056 7.275 1.00 0.00 N ATOM 66 CA VAL A 129 5.227 5.138 6.203 1.00 0.00 C ATOM 67 C VAL A 129 5.700 5.659 4.850 1.00 0.00 C ATOM 68 O VAL A 129 5.839 6.866 4.654 1.00 0.00 O ATOM 69 CB VAL A 129 3.706 4.908 6.149 1.00 0.00 C ATOM 70 CG1 VAL A 129 3.370 3.770 5.196 1.00 0.00 C ATOM 71 CG2 VAL A 129 3.157 4.625 7.540 1.00 0.00 C ATOM 0 H VAL A 129 4.980 6.869 7.358 1.00 0.00 H new ATOM 0 HA VAL A 129 5.721 4.191 6.418 1.00 0.00 H new ATOM 0 HB VAL A 129 3.235 5.817 5.775 1.00 0.00 H new ATOM 0 HG11 VAL A 129 2.290 3.623 5.172 1.00 0.00 H new ATOM 0 HG12 VAL A 129 3.725 4.016 4.195 1.00 0.00 H new ATOM 0 HG13 VAL A 129 3.853 2.855 5.538 1.00 0.00 H new ATOM 0 HG21 VAL A 129 2.080 4.465 7.481 1.00 0.00 H new ATOM 0 HG22 VAL A 129 3.634 3.733 7.945 1.00 0.00 H new ATOM 0 HG23 VAL A 129 3.362 5.474 8.192 1.00 0.00 H new ATOM 81 N ILE A 130 5.949 4.742 3.920 1.00 0.00 N ATOM 82 CA ILE A 130 6.408 5.111 2.587 1.00 0.00 C ATOM 83 C ILE A 130 5.525 4.493 1.508 1.00 0.00 C ATOM 84 O ILE A 130 5.466 3.273 1.362 1.00 0.00 O ATOM 85 CB ILE A 130 7.866 4.671 2.354 1.00 0.00 C ATOM 86 CG1 ILE A 130 8.754 5.137 3.509 1.00 0.00 C ATOM 87 CG2 ILE A 130 8.380 5.218 1.030 1.00 0.00 C ATOM 88 CD1 ILE A 130 10.110 4.466 3.537 1.00 0.00 C ATOM 0 H ILE A 130 5.840 3.738 4.066 1.00 0.00 H new ATOM 0 HA ILE A 130 6.348 6.197 2.523 1.00 0.00 H new ATOM 0 HB ILE A 130 7.898 3.582 2.312 1.00 0.00 H new ATOM 0 HG12 ILE A 130 8.893 6.216 3.438 1.00 0.00 H new ATOM 0 HG13 ILE A 130 8.242 4.943 4.452 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.411 4.898 0.880 1.00 0.00 H new ATOM 0 HG22 ILE A 130 7.761 4.841 0.216 1.00 0.00 H new ATOM 0 HG23 ILE A 130 8.336 6.307 1.045 1.00 0.00 H new ATOM 0 HD11 ILE A 130 10.686 4.844 4.382 1.00 0.00 H new ATOM 0 HD12 ILE A 130 9.981 3.389 3.640 1.00 0.00 H new ATOM 0 HD13 ILE A 130 10.642 4.681 2.610 1.00 0.00 H new ATOM 100 N ALA A 131 4.839 5.346 0.754 1.00 0.00 N ATOM 101 CA ALA A 131 3.959 4.886 -0.314 1.00 0.00 C ATOM 102 C ALA A 131 3.488 6.051 -1.177 1.00 0.00 C ATOM 103 O ALA A 131 3.209 7.138 -0.673 1.00 0.00 O ATOM 104 CB ALA A 131 2.768 4.139 0.266 1.00 0.00 C ATOM 0 H ALA A 131 4.876 6.360 0.863 1.00 0.00 H new ATOM 0 HA ALA A 131 4.525 4.204 -0.949 1.00 0.00 H new ATOM 0 HB1 ALA A 131 2.121 3.802 -0.544 1.00 0.00 H new ATOM 0 HB2 ALA A 131 3.120 3.277 0.832 1.00 0.00 H new ATOM 0 HB3 ALA A 131 2.209 4.802 0.926 1.00 0.00 H new ATOM 110 N MET A 132 3.400 5.815 -2.482 1.00 0.00 N ATOM 111 CA MET A 132 2.960 6.844 -3.417 1.00 0.00 C ATOM 112 C MET A 132 1.488 7.185 -3.201 1.00 0.00 C ATOM 113 O MET A 132 0.733 6.388 -2.642 1.00 0.00 O ATOM 114 CB MET A 132 3.183 6.379 -4.858 1.00 0.00 C ATOM 115 CG MET A 132 4.635 6.448 -5.301 1.00 0.00 C ATOM 116 SD MET A 132 5.002 7.936 -6.250 1.00 0.00 S ATOM 117 CE MET A 132 3.828 7.777 -7.594 1.00 0.00 C ATOM 0 H MET A 132 3.628 4.920 -2.916 1.00 0.00 H new ATOM 0 HA MET A 132 3.551 7.742 -3.236 1.00 0.00 H new ATOM 0 HB2 MET A 132 2.829 5.353 -4.959 1.00 0.00 H new ATOM 0 HB3 MET A 132 2.578 6.992 -5.527 1.00 0.00 H new ATOM 0 HG2 MET A 132 5.281 6.413 -4.423 1.00 0.00 H new ATOM 0 HG3 MET A 132 4.869 5.570 -5.904 1.00 0.00 H new ATOM 0 HE1 MET A 132 4.269 8.168 -8.511 1.00 0.00 H new ATOM 0 HE2 MET A 132 3.574 6.726 -7.733 1.00 0.00 H new ATOM 0 HE3 MET A 132 2.925 8.340 -7.357 1.00 0.00 H new ATOM 127 N PRO A 133 1.057 8.379 -3.645 1.00 0.00 N ATOM 128 CA PRO A 133 -0.334 8.820 -3.498 1.00 0.00 C ATOM 129 C PRO A 133 -1.310 7.880 -4.198 1.00 0.00 C ATOM 130 O PRO A 133 -2.462 7.749 -3.786 1.00 0.00 O ATOM 131 CB PRO A 133 -0.352 10.205 -4.159 1.00 0.00 C ATOM 132 CG PRO A 133 0.867 10.246 -5.017 1.00 0.00 C ATOM 133 CD PRO A 133 1.886 9.388 -4.323 1.00 0.00 C ATOM 0 HA PRO A 133 -0.647 8.835 -2.454 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -1.256 10.346 -4.752 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.334 10.998 -3.411 1.00 0.00 H new ATOM 0 HG2 PRO A 133 0.654 9.868 -6.017 1.00 0.00 H new ATOM 0 HG3 PRO A 133 1.230 11.267 -5.133 1.00 0.00 H new ATOM 0 HD2 PRO A 133 2.580 8.933 -5.030 1.00 0.00 H new ATOM 0 HD3 PRO A 133 2.483 9.962 -3.615 1.00 0.00 H new ATOM 141 N SER A 134 -0.838 7.226 -5.254 1.00 0.00 N ATOM 142 CA SER A 134 -1.669 6.294 -6.006 1.00 0.00 C ATOM 143 C SER A 134 -2.052 5.099 -5.142 1.00 0.00 C ATOM 144 O SER A 134 -3.198 4.648 -5.159 1.00 0.00 O ATOM 145 CB SER A 134 -0.934 5.819 -7.261 1.00 0.00 C ATOM 146 OG SER A 134 -1.561 4.678 -7.819 1.00 0.00 O ATOM 0 H SER A 134 0.114 7.324 -5.608 1.00 0.00 H new ATOM 0 HA SER A 134 -2.580 6.813 -6.305 1.00 0.00 H new ATOM 0 HB2 SER A 134 -0.911 6.622 -7.998 1.00 0.00 H new ATOM 0 HB3 SER A 134 0.101 5.584 -7.013 1.00 0.00 H new ATOM 0 HG SER A 134 -1.073 4.396 -8.620 1.00 0.00 H new ATOM 152 N VAL A 135 -1.085 4.590 -4.385 1.00 0.00 N ATOM 153 CA VAL A 135 -1.320 3.449 -3.510 1.00 0.00 C ATOM 154 C VAL A 135 -2.181 3.847 -2.321 1.00 0.00 C ATOM 155 O VAL A 135 -3.149 3.166 -1.987 1.00 0.00 O ATOM 156 CB VAL A 135 0.004 2.846 -3.008 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.254 1.613 -2.157 1.00 0.00 C ATOM 158 CG2 VAL A 135 0.903 2.511 -4.184 1.00 0.00 C ATOM 0 H VAL A 135 -0.131 4.951 -4.361 1.00 0.00 H new ATOM 0 HA VAL A 135 -1.846 2.695 -4.096 1.00 0.00 H new ATOM 0 HB VAL A 135 0.509 3.584 -2.384 1.00 0.00 H new ATOM 0 HG11 VAL A 135 0.696 1.203 -1.813 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -0.865 1.886 -1.296 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -0.778 0.864 -2.751 1.00 0.00 H new ATOM 0 HG21 VAL A 135 1.837 2.085 -3.818 1.00 0.00 H new ATOM 0 HG22 VAL A 135 0.403 1.789 -4.830 1.00 0.00 H new ATOM 0 HG23 VAL A 135 1.115 3.418 -4.750 1.00 0.00 H new ATOM 168 N ARG A 136 -1.830 4.961 -1.693 1.00 0.00 N ATOM 169 CA ARG A 136 -2.587 5.456 -0.549 1.00 0.00 C ATOM 170 C ARG A 136 -4.044 5.640 -0.940 1.00 0.00 C ATOM 171 O ARG A 136 -4.949 5.141 -0.273 1.00 0.00 O ATOM 172 CB ARG A 136 -2.005 6.782 -0.057 1.00 0.00 C ATOM 173 CG ARG A 136 -1.088 6.630 1.142 1.00 0.00 C ATOM 174 CD ARG A 136 -1.859 6.748 2.448 1.00 0.00 C ATOM 175 NE ARG A 136 -1.732 8.079 3.039 1.00 0.00 N ATOM 176 CZ ARG A 136 -2.581 8.576 3.937 1.00 0.00 C ATOM 177 NH1 ARG A 136 -3.616 7.855 4.353 1.00 0.00 N ATOM 178 NH2 ARG A 136 -2.394 9.796 4.421 1.00 0.00 N ATOM 0 H ARG A 136 -1.030 5.537 -1.954 1.00 0.00 H new ATOM 0 HA ARG A 136 -2.521 4.728 0.259 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -1.452 7.252 -0.871 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -2.822 7.455 0.203 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.588 5.663 1.099 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -0.310 7.393 1.106 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.912 6.530 2.269 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.494 6.001 3.153 1.00 0.00 H new ATOM 0 HE ARG A 136 -0.947 8.661 2.747 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -3.764 6.915 3.985 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -4.263 8.241 5.041 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -1.600 10.354 4.106 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -3.044 10.177 5.109 1.00 0.00 H new ATOM 192 N LYS A 137 -4.254 6.345 -2.043 1.00 0.00 N ATOM 193 CA LYS A 137 -5.594 6.583 -2.554 1.00 0.00 C ATOM 194 C LYS A 137 -6.279 5.251 -2.848 1.00 0.00 C ATOM 195 O LYS A 137 -7.468 5.076 -2.579 1.00 0.00 O ATOM 196 CB LYS A 137 -5.532 7.448 -3.820 1.00 0.00 C ATOM 197 CG LYS A 137 -6.737 7.296 -4.737 1.00 0.00 C ATOM 198 CD LYS A 137 -6.631 8.204 -5.952 1.00 0.00 C ATOM 199 CE LYS A 137 -7.778 7.972 -6.922 1.00 0.00 C ATOM 200 NZ LYS A 137 -9.081 8.420 -6.356 1.00 0.00 N ATOM 0 H LYS A 137 -3.510 6.763 -2.602 1.00 0.00 H new ATOM 0 HA LYS A 137 -6.174 7.117 -1.801 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -5.441 8.494 -3.528 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -4.631 7.193 -4.377 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -6.819 6.259 -5.063 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -7.647 7.530 -4.185 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -6.630 9.245 -5.630 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -5.683 8.026 -6.459 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -7.582 8.507 -7.851 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -7.835 6.912 -7.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -9.830 8.292 -7.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -9.305 7.856 -5.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -9.019 9.425 -6.095 1.00 0.00 H new ATOM 214 N TRP A 138 -5.509 4.308 -3.387 1.00 0.00 N ATOM 215 CA TRP A 138 -6.030 2.986 -3.704 1.00 0.00 C ATOM 216 C TRP A 138 -6.538 2.306 -2.440 1.00 0.00 C ATOM 217 O TRP A 138 -7.669 1.821 -2.391 1.00 0.00 O ATOM 218 CB TRP A 138 -4.939 2.144 -4.375 1.00 0.00 C ATOM 219 CG TRP A 138 -5.260 0.684 -4.453 1.00 0.00 C ATOM 220 CD1 TRP A 138 -4.631 -0.327 -3.789 1.00 0.00 C ATOM 221 CD2 TRP A 138 -6.287 0.072 -5.240 1.00 0.00 C ATOM 222 NE1 TRP A 138 -5.203 -1.534 -4.116 1.00 0.00 N ATOM 223 CE2 TRP A 138 -6.222 -1.314 -5.005 1.00 0.00 C ATOM 224 CE3 TRP A 138 -7.255 0.563 -6.120 1.00 0.00 C ATOM 225 CZ2 TRP A 138 -7.088 -2.214 -5.620 1.00 0.00 C ATOM 226 CZ3 TRP A 138 -8.114 -0.331 -6.729 1.00 0.00 C ATOM 227 CH2 TRP A 138 -8.026 -1.706 -6.476 1.00 0.00 C ATOM 0 H TRP A 138 -4.523 4.438 -3.612 1.00 0.00 H new ATOM 0 HA TRP A 138 -6.866 3.086 -4.397 1.00 0.00 H new ATOM 0 HB2 TRP A 138 -4.770 2.523 -5.383 1.00 0.00 H new ATOM 0 HB3 TRP A 138 -4.006 2.272 -3.826 1.00 0.00 H new ATOM 0 HD1 TRP A 138 -3.804 -0.199 -3.106 1.00 0.00 H new ATOM 0 HE1 TRP A 138 -4.916 -2.444 -3.756 1.00 0.00 H new ATOM 0 HE3 TRP A 138 -7.330 1.622 -6.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 -7.022 -3.275 -5.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 -8.866 0.036 -7.412 1.00 0.00 H new ATOM 0 HH2 TRP A 138 -8.713 -2.379 -6.967 1.00 0.00 H new ATOM 238 N ALA A 139 -5.700 2.291 -1.412 1.00 0.00 N ATOM 239 CA ALA A 139 -6.064 1.692 -0.140 1.00 0.00 C ATOM 240 C ALA A 139 -7.295 2.382 0.433 1.00 0.00 C ATOM 241 O ALA A 139 -8.254 1.729 0.837 1.00 0.00 O ATOM 242 CB ALA A 139 -4.897 1.783 0.832 1.00 0.00 C ATOM 0 H ALA A 139 -4.761 2.689 -1.437 1.00 0.00 H new ATOM 0 HA ALA A 139 -6.302 0.640 -0.298 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -5.179 1.331 1.783 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -4.038 1.254 0.420 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -4.636 2.829 0.991 1.00 0.00 H new ATOM 248 N ARG A 140 -7.266 3.710 0.451 1.00 0.00 N ATOM 249 CA ARG A 140 -8.384 4.494 0.965 1.00 0.00 C ATOM 250 C ARG A 140 -9.684 4.122 0.255 1.00 0.00 C ATOM 251 O ARG A 140 -10.757 4.141 0.856 1.00 0.00 O ATOM 252 CB ARG A 140 -8.109 5.988 0.791 1.00 0.00 C ATOM 253 CG ARG A 140 -7.032 6.522 1.721 1.00 0.00 C ATOM 254 CD ARG A 140 -7.112 8.034 1.850 1.00 0.00 C ATOM 255 NE ARG A 140 -6.518 8.714 0.701 1.00 0.00 N ATOM 256 CZ ARG A 140 -6.199 10.006 0.687 1.00 0.00 C ATOM 257 NH1 ARG A 140 -6.414 10.761 1.757 1.00 0.00 N ATOM 258 NH2 ARG A 140 -5.663 10.545 -0.400 1.00 0.00 N ATOM 0 H ARG A 140 -6.480 4.267 0.115 1.00 0.00 H new ATOM 0 HA ARG A 140 -8.492 4.270 2.026 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -7.812 6.176 -0.241 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -9.032 6.541 0.963 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -7.139 6.065 2.705 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -6.050 6.239 1.343 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -8.155 8.335 1.950 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -6.601 8.348 2.761 1.00 0.00 H new ATOM 0 HE ARG A 140 -6.337 8.166 -0.140 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -6.826 10.352 2.596 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -6.168 11.751 1.741 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -5.495 9.969 -1.225 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -5.419 11.535 -0.411 1.00 0.00 H new ATOM 272 N GLU A 141 -9.578 3.785 -1.027 1.00 0.00 N ATOM 273 CA GLU A 141 -10.747 3.412 -1.816 1.00 0.00 C ATOM 274 C GLU A 141 -11.155 1.965 -1.548 1.00 0.00 C ATOM 275 O GLU A 141 -12.323 1.605 -1.693 1.00 0.00 O ATOM 276 CB GLU A 141 -10.464 3.606 -3.306 1.00 0.00 C ATOM 277 CG GLU A 141 -10.527 5.057 -3.754 1.00 0.00 C ATOM 278 CD GLU A 141 -11.932 5.494 -4.118 1.00 0.00 C ATOM 279 OE1 GLU A 141 -12.697 5.859 -3.201 1.00 0.00 O ATOM 280 OE2 GLU A 141 -12.268 5.472 -5.321 1.00 0.00 O ATOM 0 H GLU A 141 -8.697 3.763 -1.540 1.00 0.00 H new ATOM 0 HA GLU A 141 -11.572 4.060 -1.520 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -9.476 3.207 -3.534 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -11.184 3.025 -3.883 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -10.147 5.696 -2.957 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -9.873 5.196 -4.614 1.00 0.00 H new ATOM 287 N LYS A 142 -10.187 1.139 -1.164 1.00 0.00 N ATOM 288 CA LYS A 142 -10.452 -0.269 -0.883 1.00 0.00 C ATOM 289 C LYS A 142 -10.713 -0.510 0.606 1.00 0.00 C ATOM 290 O LYS A 142 -11.023 -1.630 1.013 1.00 0.00 O ATOM 291 CB LYS A 142 -9.276 -1.129 -1.351 1.00 0.00 C ATOM 292 CG LYS A 142 -9.698 -2.367 -2.125 1.00 0.00 C ATOM 293 CD LYS A 142 -9.899 -2.061 -3.600 1.00 0.00 C ATOM 294 CE LYS A 142 -11.348 -1.721 -3.905 1.00 0.00 C ATOM 295 NZ LYS A 142 -12.283 -2.754 -3.377 1.00 0.00 N ATOM 0 H LYS A 142 -9.214 1.419 -1.040 1.00 0.00 H new ATOM 0 HA LYS A 142 -11.351 -0.552 -1.430 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -8.621 -0.524 -1.978 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -8.692 -1.435 -0.483 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -8.940 -3.143 -2.013 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -10.623 -2.762 -1.705 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -9.260 -1.227 -3.890 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -9.592 -2.920 -4.196 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -11.593 -0.752 -3.469 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -11.480 -1.628 -4.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -13.096 -2.847 -4.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -11.789 -3.667 -3.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -12.617 -2.470 -2.434 1.00 0.00 H new ATOM 309 N GLY A 143 -10.583 0.539 1.415 1.00 0.00 N ATOM 310 CA GLY A 143 -10.806 0.403 2.844 1.00 0.00 C ATOM 311 C GLY A 143 -9.553 -0.024 3.591 1.00 0.00 C ATOM 312 O GLY A 143 -9.621 -0.422 4.753 1.00 0.00 O ATOM 0 H GLY A 143 -10.328 1.478 1.107 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -11.158 1.353 3.245 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -11.595 -0.328 3.017 1.00 0.00 H new ATOM 316 N VAL A 144 -8.409 0.059 2.918 1.00 0.00 N ATOM 317 CA VAL A 144 -7.136 -0.321 3.515 1.00 0.00 C ATOM 318 C VAL A 144 -6.292 0.905 3.844 1.00 0.00 C ATOM 319 O VAL A 144 -6.315 1.900 3.120 1.00 0.00 O ATOM 320 CB VAL A 144 -6.327 -1.239 2.580 1.00 0.00 C ATOM 321 CG1 VAL A 144 -5.103 -1.783 3.301 1.00 0.00 C ATOM 322 CG2 VAL A 144 -7.198 -2.373 2.057 1.00 0.00 C ATOM 0 H VAL A 144 -8.339 0.388 1.955 1.00 0.00 H new ATOM 0 HA VAL A 144 -7.371 -0.859 4.434 1.00 0.00 H new ATOM 0 HB VAL A 144 -5.988 -0.653 1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -4.541 -2.430 2.627 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -4.470 -0.955 3.620 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -5.419 -2.355 4.174 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -6.608 -3.011 1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -7.570 -2.962 2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -8.040 -1.959 1.503 1.00 0.00 H new ATOM 332 N ASP A 145 -5.542 0.823 4.936 1.00 0.00 N ATOM 333 CA ASP A 145 -4.680 1.921 5.355 1.00 0.00 C ATOM 334 C ASP A 145 -3.215 1.573 5.109 1.00 0.00 C ATOM 335 O ASP A 145 -2.742 0.513 5.513 1.00 0.00 O ATOM 336 CB ASP A 145 -4.902 2.239 6.836 1.00 0.00 C ATOM 337 CG ASP A 145 -4.332 3.586 7.230 1.00 0.00 C ATOM 338 OD1 ASP A 145 -3.164 3.862 6.881 1.00 0.00 O ATOM 339 OD2 ASP A 145 -5.052 4.368 7.885 1.00 0.00 O ATOM 0 H ASP A 145 -5.513 0.007 5.548 1.00 0.00 H new ATOM 0 HA ASP A 145 -4.935 2.801 4.765 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -5.970 2.223 7.052 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -4.442 1.461 7.445 1.00 0.00 H new ATOM 344 N ILE A 146 -2.497 2.464 4.440 1.00 0.00 N ATOM 345 CA ILE A 146 -1.089 2.232 4.144 1.00 0.00 C ATOM 346 C ILE A 146 -0.291 1.989 5.426 1.00 0.00 C ATOM 347 O ILE A 146 0.726 1.295 5.416 1.00 0.00 O ATOM 348 CB ILE A 146 -0.477 3.416 3.360 1.00 0.00 C ATOM 349 CG1 ILE A 146 0.633 2.918 2.434 1.00 0.00 C ATOM 350 CG2 ILE A 146 0.051 4.491 4.303 1.00 0.00 C ATOM 351 CD1 ILE A 146 0.118 2.350 1.128 1.00 0.00 C ATOM 0 H ILE A 146 -2.863 3.350 4.093 1.00 0.00 H new ATOM 0 HA ILE A 146 -1.032 1.339 3.521 1.00 0.00 H new ATOM 0 HB ILE A 146 -1.264 3.865 2.755 1.00 0.00 H new ATOM 0 HG12 ILE A 146 1.314 3.742 2.220 1.00 0.00 H new ATOM 0 HG13 ILE A 146 1.211 2.153 2.951 1.00 0.00 H new ATOM 0 HG21 ILE A 146 0.475 5.309 3.721 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -0.766 4.868 4.918 1.00 0.00 H new ATOM 0 HG23 ILE A 146 0.822 4.065 4.945 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.959 2.016 0.520 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.540 1.506 1.333 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -0.436 3.119 0.590 1.00 0.00 H new ATOM 363 N ARG A 147 -0.760 2.572 6.524 1.00 0.00 N ATOM 364 CA ARG A 147 -0.095 2.435 7.816 1.00 0.00 C ATOM 365 C ARG A 147 -0.039 0.977 8.277 1.00 0.00 C ATOM 366 O ARG A 147 0.768 0.629 9.139 1.00 0.00 O ATOM 367 CB ARG A 147 -0.811 3.284 8.868 1.00 0.00 C ATOM 368 CG ARG A 147 -0.288 4.708 8.959 1.00 0.00 C ATOM 369 CD ARG A 147 -1.369 5.668 9.428 1.00 0.00 C ATOM 370 NE ARG A 147 -0.880 7.043 9.517 1.00 0.00 N ATOM 371 CZ ARG A 147 -1.487 8.001 10.214 1.00 0.00 C ATOM 372 NH1 ARG A 147 -2.602 7.738 10.884 1.00 0.00 N ATOM 373 NH2 ARG A 147 -0.977 9.224 10.241 1.00 0.00 N ATOM 0 H ARG A 147 -1.602 3.147 6.545 1.00 0.00 H new ATOM 0 HA ARG A 147 0.930 2.786 7.696 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -1.876 3.311 8.638 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.707 2.805 9.842 1.00 0.00 H new ATOM 0 HG2 ARG A 147 0.556 4.744 9.648 1.00 0.00 H new ATOM 0 HG3 ARG A 147 0.083 5.024 7.984 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -2.213 5.627 8.740 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -1.737 5.350 10.403 1.00 0.00 H new ATOM 0 HE ARG A 147 -0.024 7.282 9.016 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -2.998 6.798 10.866 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -3.063 8.476 11.416 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -0.120 9.431 9.728 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -1.442 9.959 10.775 1.00 0.00 H new ATOM 387 N LEU A 148 -0.893 0.128 7.709 1.00 0.00 N ATOM 388 CA LEU A 148 -0.914 -1.285 8.085 1.00 0.00 C ATOM 389 C LEU A 148 -0.443 -2.172 6.939 1.00 0.00 C ATOM 390 O LEU A 148 -0.811 -3.343 6.861 1.00 0.00 O ATOM 391 CB LEU A 148 -2.316 -1.718 8.526 1.00 0.00 C ATOM 392 CG LEU A 148 -3.466 -1.110 7.726 1.00 0.00 C ATOM 393 CD1 LEU A 148 -3.687 -1.884 6.435 1.00 0.00 C ATOM 394 CD2 LEU A 148 -4.741 -1.089 8.551 1.00 0.00 C ATOM 0 H LEU A 148 -1.573 0.389 6.995 1.00 0.00 H new ATOM 0 HA LEU A 148 -0.227 -1.403 8.923 1.00 0.00 H new ATOM 0 HB2 LEU A 148 -2.382 -2.804 8.458 1.00 0.00 H new ATOM 0 HB3 LEU A 148 -2.446 -1.456 9.576 1.00 0.00 H new ATOM 0 HG LEU A 148 -3.200 -0.083 7.475 1.00 0.00 H new ATOM 0 HD11 LEU A 148 -4.510 -1.436 5.879 1.00 0.00 H new ATOM 0 HD12 LEU A 148 -2.780 -1.851 5.831 1.00 0.00 H new ATOM 0 HD13 LEU A 148 -3.929 -2.921 6.669 1.00 0.00 H new ATOM 0 HD21 LEU A 148 -5.548 -0.652 7.963 1.00 0.00 H new ATOM 0 HD22 LEU A 148 -5.008 -2.107 8.834 1.00 0.00 H new ATOM 0 HD23 LEU A 148 -4.583 -0.493 9.450 1.00 0.00 H new ATOM 406 N VAL A 149 0.372 -1.614 6.051 1.00 0.00 N ATOM 407 CA VAL A 149 0.881 -2.370 4.914 1.00 0.00 C ATOM 408 C VAL A 149 2.401 -2.285 4.827 1.00 0.00 C ATOM 409 O VAL A 149 2.961 -1.223 4.552 1.00 0.00 O ATOM 410 CB VAL A 149 0.270 -1.877 3.588 1.00 0.00 C ATOM 411 CG1 VAL A 149 0.670 -2.795 2.445 1.00 0.00 C ATOM 412 CG2 VAL A 149 -1.245 -1.782 3.698 1.00 0.00 C ATOM 0 H VAL A 149 0.693 -0.647 6.096 1.00 0.00 H new ATOM 0 HA VAL A 149 0.590 -3.408 5.073 1.00 0.00 H new ATOM 0 HB VAL A 149 0.658 -0.880 3.379 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.230 -2.432 1.516 1.00 0.00 H new ATOM 0 HG12 VAL A 149 1.756 -2.808 2.351 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.311 -3.804 2.646 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -1.657 -1.432 2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -1.655 -2.765 3.931 1.00 0.00 H new ATOM 0 HG23 VAL A 149 -1.509 -1.081 4.490 1.00 0.00 H new ATOM 422 N GLN A 150 3.063 -3.413 5.061 1.00 0.00 N ATOM 423 CA GLN A 150 4.519 -3.472 5.007 1.00 0.00 C ATOM 424 C GLN A 150 5.004 -3.516 3.562 1.00 0.00 C ATOM 425 O GLN A 150 5.385 -4.571 3.056 1.00 0.00 O ATOM 426 CB GLN A 150 5.029 -4.698 5.767 1.00 0.00 C ATOM 427 CG GLN A 150 4.505 -6.014 5.216 1.00 0.00 C ATOM 428 CD GLN A 150 3.551 -6.709 6.168 1.00 0.00 C ATOM 429 OE1 GLN A 150 2.441 -7.084 5.789 1.00 0.00 O ATOM 430 NE2 GLN A 150 3.979 -6.883 7.413 1.00 0.00 N ATOM 0 H GLN A 150 2.614 -4.300 5.290 1.00 0.00 H new ATOM 0 HA GLN A 150 4.914 -2.572 5.478 1.00 0.00 H new ATOM 0 HB2 GLN A 150 6.118 -4.708 5.735 1.00 0.00 H new ATOM 0 HB3 GLN A 150 4.741 -4.612 6.815 1.00 0.00 H new ATOM 0 HG2 GLN A 150 3.997 -5.830 4.269 1.00 0.00 H new ATOM 0 HG3 GLN A 150 5.346 -6.675 5.004 1.00 0.00 H new ATOM 0 HE21 GLN A 150 4.907 -6.556 7.684 1.00 0.00 H new ATOM 0 HE22 GLN A 150 3.380 -7.343 8.098 1.00 0.00 H new ATOM 439 N GLY A 151 4.985 -2.362 2.902 1.00 0.00 N ATOM 440 CA GLY A 151 5.422 -2.289 1.519 1.00 0.00 C ATOM 441 C GLY A 151 6.813 -2.859 1.312 1.00 0.00 C ATOM 442 O GLY A 151 7.675 -2.740 2.182 1.00 0.00 O ATOM 0 H GLY A 151 4.675 -1.476 3.300 1.00 0.00 H new ATOM 0 HA2 GLY A 151 4.715 -2.830 0.890 1.00 0.00 H new ATOM 0 HA3 GLY A 151 5.408 -1.249 1.192 1.00 0.00 H new ATOM 446 N THR A 152 7.028 -3.481 0.158 1.00 0.00 N ATOM 447 CA THR A 152 8.324 -4.072 -0.162 1.00 0.00 C ATOM 448 C THR A 152 8.947 -3.412 -1.390 1.00 0.00 C ATOM 449 O THR A 152 9.845 -3.975 -2.017 1.00 0.00 O ATOM 450 CB THR A 152 8.173 -5.576 -0.402 1.00 0.00 C ATOM 451 OG1 THR A 152 7.125 -5.835 -1.318 1.00 0.00 O ATOM 452 CG2 THR A 152 7.883 -6.359 0.861 1.00 0.00 C ATOM 0 H THR A 152 6.323 -3.589 -0.571 1.00 0.00 H new ATOM 0 HA THR A 152 8.986 -3.905 0.687 1.00 0.00 H new ATOM 0 HB THR A 152 9.134 -5.902 -0.799 1.00 0.00 H new ATOM 0 HG1 THR A 152 6.274 -5.534 -0.936 1.00 0.00 H new ATOM 0 HG21 THR A 152 7.788 -7.418 0.619 1.00 0.00 H new ATOM 0 HG22 THR A 152 8.699 -6.221 1.570 1.00 0.00 H new ATOM 0 HG23 THR A 152 6.953 -6.003 1.304 1.00 0.00 H new ATOM 460 N GLY A 153 8.469 -2.219 -1.731 1.00 0.00 N ATOM 461 CA GLY A 153 8.998 -1.511 -2.882 1.00 0.00 C ATOM 462 C GLY A 153 10.412 -1.014 -2.657 1.00 0.00 C ATOM 463 O GLY A 153 10.616 0.042 -2.057 1.00 0.00 O ATOM 0 H GLY A 153 7.726 -1.731 -1.231 1.00 0.00 H new ATOM 0 HA2 GLY A 153 8.982 -2.171 -3.750 1.00 0.00 H new ATOM 0 HA3 GLY A 153 8.351 -0.665 -3.113 1.00 0.00 H new ATOM 467 N LYS A 154 11.390 -1.779 -3.137 1.00 0.00 N ATOM 468 CA LYS A 154 12.798 -1.420 -2.990 1.00 0.00 C ATOM 469 C LYS A 154 13.152 -1.150 -1.526 1.00 0.00 C ATOM 470 O LYS A 154 13.590 -2.053 -0.812 1.00 0.00 O ATOM 471 CB LYS A 154 13.130 -0.201 -3.860 1.00 0.00 C ATOM 472 CG LYS A 154 14.571 0.269 -3.733 1.00 0.00 C ATOM 473 CD LYS A 154 15.484 -0.463 -4.703 1.00 0.00 C ATOM 474 CE LYS A 154 15.137 -0.141 -6.148 1.00 0.00 C ATOM 475 NZ LYS A 154 14.388 -1.251 -6.801 1.00 0.00 N ATOM 0 H LYS A 154 11.231 -2.656 -3.634 1.00 0.00 H new ATOM 0 HA LYS A 154 13.399 -2.265 -3.326 1.00 0.00 H new ATOM 0 HB2 LYS A 154 12.928 -0.445 -4.903 1.00 0.00 H new ATOM 0 HB3 LYS A 154 12.465 0.619 -3.589 1.00 0.00 H new ATOM 0 HG2 LYS A 154 14.623 1.341 -3.922 1.00 0.00 H new ATOM 0 HG3 LYS A 154 14.919 0.108 -2.713 1.00 0.00 H new ATOM 0 HD2 LYS A 154 16.520 -0.188 -4.507 1.00 0.00 H new ATOM 0 HD3 LYS A 154 15.403 -1.538 -4.539 1.00 0.00 H new ATOM 0 HE2 LYS A 154 14.540 0.770 -6.183 1.00 0.00 H new ATOM 0 HE3 LYS A 154 16.052 0.056 -6.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 15.040 -1.813 -7.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 13.964 -1.860 -6.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 13.637 -0.856 -7.402 1.00 0.00 H new ATOM 489 N ASN A 155 12.960 0.089 -1.080 1.00 0.00 N ATOM 490 CA ASN A 155 13.259 0.461 0.298 1.00 0.00 C ATOM 491 C ASN A 155 12.160 -0.010 1.250 1.00 0.00 C ATOM 492 O ASN A 155 12.294 0.103 2.469 1.00 0.00 O ATOM 493 CB ASN A 155 13.434 1.976 0.414 1.00 0.00 C ATOM 494 CG ASN A 155 14.566 2.496 -0.451 1.00 0.00 C ATOM 495 OD1 ASN A 155 15.604 1.849 -0.588 1.00 0.00 O ATOM 496 ND2 ASN A 155 14.370 3.671 -1.039 1.00 0.00 N ATOM 0 H ASN A 155 12.599 0.851 -1.653 1.00 0.00 H new ATOM 0 HA ASN A 155 14.190 -0.030 0.581 1.00 0.00 H new ATOM 0 HB2 ASN A 155 12.505 2.469 0.127 1.00 0.00 H new ATOM 0 HB3 ASN A 155 13.626 2.238 1.454 1.00 0.00 H new ATOM 0 HD21 ASN A 155 15.096 4.072 -1.633 1.00 0.00 H new ATOM 0 HD22 ASN A 155 13.493 4.172 -0.897 1.00 0.00 H new ATOM 503 N GLY A 156 11.073 -0.537 0.691 1.00 0.00 N ATOM 504 CA GLY A 156 9.975 -1.013 1.509 1.00 0.00 C ATOM 505 C GLY A 156 8.734 -0.153 1.376 1.00 0.00 C ATOM 506 O GLY A 156 7.910 -0.096 2.290 1.00 0.00 O ATOM 0 H GLY A 156 10.935 -0.642 -0.314 1.00 0.00 H new ATOM 0 HA2 GLY A 156 9.734 -2.038 1.227 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.287 -1.035 2.553 1.00 0.00 H new ATOM 510 N ARG A 157 8.593 0.518 0.235 1.00 0.00 N ATOM 511 CA ARG A 157 7.438 1.373 -0.005 1.00 0.00 C ATOM 512 C ARG A 157 6.259 0.558 -0.529 1.00 0.00 C ATOM 513 O ARG A 157 6.406 -0.242 -1.452 1.00 0.00 O ATOM 514 CB ARG A 157 7.791 2.487 -0.995 1.00 0.00 C ATOM 515 CG ARG A 157 8.049 1.991 -2.410 1.00 0.00 C ATOM 516 CD ARG A 157 8.686 3.071 -3.270 1.00 0.00 C ATOM 517 NE ARG A 157 10.119 2.852 -3.452 1.00 0.00 N ATOM 518 CZ ARG A 157 10.976 3.805 -3.814 1.00 0.00 C ATOM 519 NH1 ARG A 157 10.550 5.042 -4.034 1.00 0.00 N ATOM 520 NH2 ARG A 157 12.264 3.520 -3.954 1.00 0.00 N ATOM 0 H ARG A 157 9.263 0.485 -0.534 1.00 0.00 H new ATOM 0 HA ARG A 157 7.150 1.826 0.944 1.00 0.00 H new ATOM 0 HB2 ARG A 157 6.978 3.212 -1.017 1.00 0.00 H new ATOM 0 HB3 ARG A 157 8.677 3.012 -0.637 1.00 0.00 H new ATOM 0 HG2 ARG A 157 8.701 1.118 -2.378 1.00 0.00 H new ATOM 0 HG3 ARG A 157 7.110 1.671 -2.862 1.00 0.00 H new ATOM 0 HD2 ARG A 157 8.196 3.095 -4.244 1.00 0.00 H new ATOM 0 HD3 ARG A 157 8.524 4.045 -2.808 1.00 0.00 H new ATOM 0 HE ARG A 157 10.485 1.913 -3.292 1.00 0.00 H new ATOM 0 HH11 ARG A 157 9.561 5.268 -3.926 1.00 0.00 H new ATOM 0 HH12 ARG A 157 11.211 5.767 -4.311 1.00 0.00 H new ATOM 0 HH21 ARG A 157 12.598 2.571 -3.784 1.00 0.00 H new ATOM 0 HH22 ARG A 157 12.921 4.250 -4.231 1.00 0.00 H new ATOM 534 N VAL A 158 5.092 0.762 0.073 1.00 0.00 N ATOM 535 CA VAL A 158 3.888 0.042 -0.326 1.00 0.00 C ATOM 536 C VAL A 158 3.430 0.460 -1.719 1.00 0.00 C ATOM 537 O VAL A 158 3.179 1.638 -1.975 1.00 0.00 O ATOM 538 CB VAL A 158 2.738 0.273 0.672 1.00 0.00 C ATOM 539 CG1 VAL A 158 1.542 -0.599 0.322 1.00 0.00 C ATOM 540 CG2 VAL A 158 3.200 0.005 2.095 1.00 0.00 C ATOM 0 H VAL A 158 4.954 1.421 0.840 1.00 0.00 H new ATOM 0 HA VAL A 158 4.144 -1.018 -0.335 1.00 0.00 H new ATOM 0 HB VAL A 158 2.431 1.317 0.605 1.00 0.00 H new ATOM 0 HG11 VAL A 158 0.740 -0.421 1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 158 1.193 -0.353 -0.681 1.00 0.00 H new ATOM 0 HG13 VAL A 158 1.834 -1.649 0.357 1.00 0.00 H new ATOM 0 HG21 VAL A 158 2.373 0.174 2.784 1.00 0.00 H new ATOM 0 HG22 VAL A 158 3.537 -1.028 2.180 1.00 0.00 H new ATOM 0 HG23 VAL A 158 4.022 0.677 2.343 1.00 0.00 H new ATOM 550 N LEU A 159 3.317 -0.515 -2.614 1.00 0.00 N ATOM 551 CA LEU A 159 2.882 -0.256 -3.982 1.00 0.00 C ATOM 552 C LEU A 159 1.542 -0.933 -4.253 1.00 0.00 C ATOM 553 O LEU A 159 1.046 -1.697 -3.427 1.00 0.00 O ATOM 554 CB LEU A 159 3.929 -0.757 -4.979 1.00 0.00 C ATOM 555 CG LEU A 159 5.385 -0.527 -4.570 1.00 0.00 C ATOM 556 CD1 LEU A 159 6.264 -1.670 -5.056 1.00 0.00 C ATOM 557 CD2 LEU A 159 5.886 0.803 -5.115 1.00 0.00 C ATOM 0 H LEU A 159 3.521 -1.495 -2.416 1.00 0.00 H new ATOM 0 HA LEU A 159 2.764 0.821 -4.105 1.00 0.00 H new ATOM 0 HB2 LEU A 159 3.777 -1.825 -5.134 1.00 0.00 H new ATOM 0 HB3 LEU A 159 3.757 -0.268 -5.938 1.00 0.00 H new ATOM 0 HG LEU A 159 5.437 -0.495 -3.482 1.00 0.00 H new ATOM 0 HD11 LEU A 159 7.296 -1.489 -4.756 1.00 0.00 H new ATOM 0 HD12 LEU A 159 5.918 -2.606 -4.618 1.00 0.00 H new ATOM 0 HD13 LEU A 159 6.209 -1.735 -6.143 1.00 0.00 H new ATOM 0 HD21 LEU A 159 6.923 0.952 -4.815 1.00 0.00 H new ATOM 0 HD22 LEU A 159 5.820 0.799 -6.203 1.00 0.00 H new ATOM 0 HD23 LEU A 159 5.274 1.613 -4.718 1.00 0.00 H new ATOM 569 N LYS A 160 0.962 -0.651 -5.417 1.00 0.00 N ATOM 570 CA LYS A 160 -0.321 -1.241 -5.792 1.00 0.00 C ATOM 571 C LYS A 160 -0.294 -2.755 -5.609 1.00 0.00 C ATOM 572 O LYS A 160 -1.308 -3.371 -5.275 1.00 0.00 O ATOM 573 CB LYS A 160 -0.664 -0.896 -7.242 1.00 0.00 C ATOM 574 CG LYS A 160 -1.995 -1.470 -7.704 1.00 0.00 C ATOM 575 CD LYS A 160 -2.826 -0.434 -8.447 1.00 0.00 C ATOM 576 CE LYS A 160 -3.194 0.734 -7.546 1.00 0.00 C ATOM 577 NZ LYS A 160 -3.149 2.032 -8.274 1.00 0.00 N ATOM 0 H LYS A 160 1.358 -0.020 -6.114 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.089 -0.826 -5.139 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -0.687 0.188 -7.354 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.128 -1.267 -7.893 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -1.816 -2.327 -8.353 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.553 -1.834 -6.842 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -2.268 -0.068 -9.309 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -3.734 -0.900 -8.829 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -4.194 0.579 -7.141 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -2.509 0.769 -6.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -2.456 2.661 -7.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -2.871 1.866 -9.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -4.089 2.477 -8.249 1.00 0.00 H new ATOM 591 N GLU A 161 0.875 -3.348 -5.824 1.00 0.00 N ATOM 592 CA GLU A 161 1.041 -4.789 -5.678 1.00 0.00 C ATOM 593 C GLU A 161 0.957 -5.192 -4.210 1.00 0.00 C ATOM 594 O GLU A 161 0.372 -6.220 -3.870 1.00 0.00 O ATOM 595 CB GLU A 161 2.381 -5.232 -6.267 1.00 0.00 C ATOM 596 CG GLU A 161 2.486 -5.021 -7.768 1.00 0.00 C ATOM 597 CD GLU A 161 3.828 -5.456 -8.326 1.00 0.00 C ATOM 598 OE1 GLU A 161 4.764 -4.630 -8.331 1.00 0.00 O ATOM 599 OE2 GLU A 161 3.940 -6.623 -8.757 1.00 0.00 O ATOM 0 H GLU A 161 1.723 -2.852 -6.100 1.00 0.00 H new ATOM 0 HA GLU A 161 0.236 -5.283 -6.222 1.00 0.00 H new ATOM 0 HB2 GLU A 161 3.184 -4.683 -5.775 1.00 0.00 H new ATOM 0 HB3 GLU A 161 2.534 -6.288 -6.046 1.00 0.00 H new ATOM 0 HG2 GLU A 161 1.692 -5.578 -8.266 1.00 0.00 H new ATOM 0 HG3 GLU A 161 2.327 -3.967 -7.995 1.00 0.00 H new ATOM 606 N ASP A 162 1.542 -4.370 -3.343 1.00 0.00 N ATOM 607 CA ASP A 162 1.528 -4.639 -1.911 1.00 0.00 C ATOM 608 C ASP A 162 0.102 -4.624 -1.377 1.00 0.00 C ATOM 609 O ASP A 162 -0.311 -5.533 -0.657 1.00 0.00 O ATOM 610 CB ASP A 162 2.376 -3.606 -1.166 1.00 0.00 C ATOM 611 CG ASP A 162 3.863 -3.843 -1.347 1.00 0.00 C ATOM 612 OD1 ASP A 162 4.286 -5.017 -1.310 1.00 0.00 O ATOM 613 OD2 ASP A 162 4.604 -2.853 -1.524 1.00 0.00 O ATOM 0 H ASP A 162 2.030 -3.514 -3.608 1.00 0.00 H new ATOM 0 HA ASP A 162 1.952 -5.629 -1.746 1.00 0.00 H new ATOM 0 HB2 ASP A 162 2.124 -2.607 -1.522 1.00 0.00 H new ATOM 0 HB3 ASP A 162 2.132 -3.637 -0.104 1.00 0.00 H new ATOM 618 N ILE A 163 -0.652 -3.592 -1.744 1.00 0.00 N ATOM 619 CA ILE A 163 -2.036 -3.472 -1.308 1.00 0.00 C ATOM 620 C ILE A 163 -2.850 -4.666 -1.790 1.00 0.00 C ATOM 621 O ILE A 163 -3.527 -5.328 -1.003 1.00 0.00 O ATOM 622 CB ILE A 163 -2.683 -2.171 -1.824 1.00 0.00 C ATOM 623 CG1 ILE A 163 -1.831 -0.962 -1.433 1.00 0.00 C ATOM 624 CG2 ILE A 163 -4.096 -2.026 -1.276 1.00 0.00 C ATOM 625 CD1 ILE A 163 -1.665 -0.799 0.061 1.00 0.00 C ATOM 0 H ILE A 163 -0.328 -2.830 -2.340 1.00 0.00 H new ATOM 0 HA ILE A 163 -2.032 -3.446 -0.218 1.00 0.00 H new ATOM 0 HB ILE A 163 -2.738 -2.219 -2.912 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -0.847 -1.057 -1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -2.286 -0.059 -1.841 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -4.538 -1.103 -1.650 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -4.700 -2.874 -1.598 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -4.063 -1.997 -0.187 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -1.050 0.078 0.265 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -2.644 -0.672 0.524 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -1.182 -1.685 0.472 1.00 0.00 H new ATOM 637 N ASP A 164 -2.768 -4.947 -3.089 1.00 0.00 N ATOM 638 CA ASP A 164 -3.487 -6.074 -3.672 1.00 0.00 C ATOM 639 C ASP A 164 -3.144 -7.361 -2.930 1.00 0.00 C ATOM 640 O ASP A 164 -3.991 -8.236 -2.754 1.00 0.00 O ATOM 641 CB ASP A 164 -3.143 -6.215 -5.156 1.00 0.00 C ATOM 642 CG ASP A 164 -4.202 -5.607 -6.056 1.00 0.00 C ATOM 643 OD1 ASP A 164 -4.266 -4.363 -6.140 1.00 0.00 O ATOM 644 OD2 ASP A 164 -4.969 -6.376 -6.673 1.00 0.00 O ATOM 0 H ASP A 164 -2.212 -4.410 -3.755 1.00 0.00 H new ATOM 0 HA ASP A 164 -4.557 -5.888 -3.577 1.00 0.00 H new ATOM 0 HB2 ASP A 164 -2.185 -5.734 -5.351 1.00 0.00 H new ATOM 0 HB3 ASP A 164 -3.025 -7.271 -5.400 1.00 0.00 H new ATOM 649 N ALA A 165 -1.895 -7.459 -2.483 1.00 0.00 N ATOM 650 CA ALA A 165 -1.439 -8.627 -1.744 1.00 0.00 C ATOM 651 C ALA A 165 -1.990 -8.602 -0.326 1.00 0.00 C ATOM 652 O ALA A 165 -2.287 -9.644 0.258 1.00 0.00 O ATOM 653 CB ALA A 165 0.081 -8.684 -1.727 1.00 0.00 C ATOM 0 H ALA A 165 -1.182 -6.742 -2.621 1.00 0.00 H new ATOM 0 HA ALA A 165 -1.810 -9.522 -2.243 1.00 0.00 H new ATOM 0 HB1 ALA A 165 0.406 -9.563 -1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 165 0.454 -8.743 -2.749 1.00 0.00 H new ATOM 0 HB3 ALA A 165 0.473 -7.786 -1.249 1.00 0.00 H new ATOM 659 N PHE A 166 -2.133 -7.397 0.217 1.00 0.00 N ATOM 660 CA PHE A 166 -2.660 -7.221 1.563 1.00 0.00 C ATOM 661 C PHE A 166 -4.085 -7.756 1.647 1.00 0.00 C ATOM 662 O PHE A 166 -4.469 -8.383 2.634 1.00 0.00 O ATOM 663 CB PHE A 166 -2.630 -5.739 1.948 1.00 0.00 C ATOM 664 CG PHE A 166 -3.248 -5.450 3.286 1.00 0.00 C ATOM 665 CD1 PHE A 166 -4.623 -5.371 3.426 1.00 0.00 C ATOM 666 CD2 PHE A 166 -2.451 -5.257 4.402 1.00 0.00 C ATOM 667 CE1 PHE A 166 -5.193 -5.105 4.657 1.00 0.00 C ATOM 668 CE2 PHE A 166 -3.014 -4.991 5.635 1.00 0.00 C ATOM 669 CZ PHE A 166 -4.387 -4.916 5.763 1.00 0.00 C ATOM 0 H PHE A 166 -1.890 -6.527 -0.257 1.00 0.00 H new ATOM 0 HA PHE A 166 -2.036 -7.780 2.260 1.00 0.00 H new ATOM 0 HB2 PHE A 166 -1.596 -5.395 1.954 1.00 0.00 H new ATOM 0 HB3 PHE A 166 -3.153 -5.164 1.184 1.00 0.00 H new ATOM 0 HD1 PHE A 166 -5.257 -5.519 2.564 1.00 0.00 H new ATOM 0 HD2 PHE A 166 -1.377 -5.315 4.307 1.00 0.00 H new ATOM 0 HE1 PHE A 166 -6.267 -5.045 4.754 1.00 0.00 H new ATOM 0 HE2 PHE A 166 -2.381 -4.842 6.498 1.00 0.00 H new ATOM 0 HZ PHE A 166 -4.830 -4.710 6.726 1.00 0.00 H new ATOM 679 N LEU A 167 -4.864 -7.502 0.600 1.00 0.00 N ATOM 680 CA LEU A 167 -6.245 -7.955 0.545 1.00 0.00 C ATOM 681 C LEU A 167 -6.318 -9.421 0.134 1.00 0.00 C ATOM 682 O LEU A 167 -7.205 -10.155 0.570 1.00 0.00 O ATOM 683 CB LEU A 167 -7.034 -7.094 -0.441 1.00 0.00 C ATOM 684 CG LEU A 167 -7.314 -5.661 0.020 1.00 0.00 C ATOM 685 CD1 LEU A 167 -7.869 -5.650 1.437 1.00 0.00 C ATOM 686 CD2 LEU A 167 -6.050 -4.818 -0.069 1.00 0.00 C ATOM 0 H LEU A 167 -4.559 -6.983 -0.223 1.00 0.00 H new ATOM 0 HA LEU A 167 -6.682 -7.856 1.539 1.00 0.00 H new ATOM 0 HB2 LEU A 167 -6.486 -7.055 -1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 167 -7.986 -7.585 -0.646 1.00 0.00 H new ATOM 0 HG LEU A 167 -8.064 -5.227 -0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 167 -8.061 -4.622 1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 167 -8.799 -6.218 1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 167 -7.145 -6.102 2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 167 -6.266 -3.802 0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 167 -5.278 -5.251 0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 167 -5.699 -4.796 -1.101 1.00 0.00 H new ATOM 698 N ALA A 168 -5.378 -9.843 -0.707 1.00 0.00 N ATOM 699 CA ALA A 168 -5.334 -11.222 -1.176 1.00 0.00 C ATOM 700 C ALA A 168 -4.370 -12.059 -0.339 1.00 0.00 C ATOM 701 O ALA A 168 -3.806 -13.040 -0.823 1.00 0.00 O ATOM 702 CB ALA A 168 -4.937 -11.268 -2.643 1.00 0.00 C ATOM 0 H ALA A 168 -4.637 -9.248 -1.077 1.00 0.00 H new ATOM 0 HA ALA A 168 -6.332 -11.647 -1.066 1.00 0.00 H new ATOM 0 HB1 ALA A 168 -4.908 -12.304 -2.980 1.00 0.00 H new ATOM 0 HB2 ALA A 168 -5.666 -10.714 -3.235 1.00 0.00 H new ATOM 0 HB3 ALA A 168 -3.952 -10.818 -2.768 1.00 0.00 H new ATOM 708 N GLY A 169 -4.186 -11.665 0.916 1.00 0.00 N ATOM 709 CA GLY A 169 -3.290 -12.391 1.797 1.00 0.00 C ATOM 710 C GLY A 169 -3.540 -12.084 3.261 1.00 0.00 C ATOM 711 O GLY A 169 -2.624 -12.141 4.080 1.00 0.00 O ATOM 0 H GLY A 169 -4.641 -10.856 1.339 1.00 0.00 H new ATOM 0 HA2 GLY A 169 -3.408 -13.461 1.628 1.00 0.00 H new ATOM 0 HA3 GLY A 169 -2.259 -12.141 1.548 1.00 0.00 H new ATOM 715 N GLY A 170 -4.786 -11.754 3.589 1.00 0.00 N ATOM 716 CA GLY A 170 -5.133 -11.440 4.963 1.00 0.00 C ATOM 717 C GLY A 170 -6.503 -10.803 5.084 1.00 0.00 C ATOM 718 O GLY A 170 -7.378 -11.113 4.247 1.00 0.00 O ATOM 719 OXT GLY A 170 -6.702 -9.994 6.014 1.00 0.00 O ATOM 0 H GLY A 170 -5.561 -11.699 2.928 1.00 0.00 H new ATOM 0 HA2 GLY A 170 -5.106 -12.352 5.559 1.00 0.00 H new ATOM 0 HA3 GLY A 170 -4.384 -10.766 5.379 1.00 0.00 H new TER 723 GLY A 170