USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=3 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 Single : A 126 ASN : amide:sc= -1.48 K(o=-1.5,f=-7.4!) USER MOD Single : A 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 ASN : amide:sc= -0.251 X(o=-0.25,f=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 126 -7.617 9.701 -13.904 1.00 0.00 N ATOM 2 CA ASN A 126 -7.930 9.996 -12.480 1.00 0.00 C ATOM 3 C ASN A 126 -8.334 8.732 -11.731 1.00 0.00 C ATOM 4 O ASN A 126 -8.927 7.819 -12.307 1.00 0.00 O ATOM 5 CB ASN A 126 -9.064 11.022 -12.435 1.00 0.00 C ATOM 6 CG ASN A 126 -9.302 11.558 -11.036 1.00 0.00 C ATOM 7 OD1 ASN A 126 -9.483 10.793 -10.088 1.00 0.00 O ATOM 8 ND2 ASN A 126 -9.305 12.879 -10.900 1.00 0.00 N ATOM 0 HA ASN A 126 -7.041 10.395 -11.992 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -8.828 11.850 -13.103 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -9.980 10.564 -12.807 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -9.462 13.297 -9.983 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -9.151 13.476 -11.713 1.00 0.00 H new ATOM 17 N ARG A 127 -8.010 8.684 -10.443 1.00 0.00 N ATOM 18 CA ARG A 127 -8.339 7.530 -9.613 1.00 0.00 C ATOM 19 C ARG A 127 -7.684 6.263 -10.158 1.00 0.00 C ATOM 20 O ARG A 127 -8.350 5.410 -10.746 1.00 0.00 O ATOM 21 CB ARG A 127 -9.858 7.349 -9.538 1.00 0.00 C ATOM 22 CG ARG A 127 -10.359 6.982 -8.151 1.00 0.00 C ATOM 23 CD ARG A 127 -10.448 5.475 -7.970 1.00 0.00 C ATOM 24 NE ARG A 127 -11.680 5.078 -7.291 1.00 0.00 N ATOM 25 CZ ARG A 127 -12.021 3.814 -7.052 1.00 0.00 C ATOM 26 NH1 ARG A 127 -11.227 2.821 -7.435 1.00 0.00 N ATOM 27 NH2 ARG A 127 -13.160 3.542 -6.429 1.00 0.00 N ATOM 0 H ARG A 127 -7.520 9.431 -9.951 1.00 0.00 H new ATOM 0 HA ARG A 127 -7.953 7.710 -8.610 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -10.342 8.272 -9.857 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -10.158 6.572 -10.241 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -9.690 7.401 -7.399 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -11.340 7.427 -7.988 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -10.398 4.989 -8.944 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -9.589 5.127 -7.396 1.00 0.00 H new ATOM 0 HE ARG A 127 -12.316 5.813 -6.982 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -10.350 3.025 -7.915 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -11.494 1.854 -7.249 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -13.774 4.301 -6.134 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -13.422 2.574 -6.245 1.00 0.00 H new ATOM 41 N ARG A 128 -6.375 6.149 -9.959 1.00 0.00 N ATOM 42 CA ARG A 128 -5.628 4.988 -10.432 1.00 0.00 C ATOM 43 C ARG A 128 -5.100 4.165 -9.261 1.00 0.00 C ATOM 44 O ARG A 128 -5.006 2.940 -9.344 1.00 0.00 O ATOM 45 CB ARG A 128 -4.467 5.433 -11.323 1.00 0.00 C ATOM 46 CG ARG A 128 -3.802 4.290 -12.073 1.00 0.00 C ATOM 47 CD ARG A 128 -4.183 4.290 -13.547 1.00 0.00 C ATOM 48 NE ARG A 128 -4.677 2.986 -13.985 1.00 0.00 N ATOM 49 CZ ARG A 128 -3.931 1.884 -14.019 1.00 0.00 C ATOM 50 NH1 ARG A 128 -2.659 1.922 -13.642 1.00 0.00 N ATOM 51 NH2 ARG A 128 -4.461 0.741 -14.433 1.00 0.00 N ATOM 0 H ARG A 128 -5.809 6.846 -9.474 1.00 0.00 H new ATOM 0 HA ARG A 128 -6.306 4.363 -11.014 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -4.833 6.165 -12.043 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -3.721 5.936 -10.708 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -2.719 4.372 -11.976 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -4.091 3.341 -11.622 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -4.949 5.046 -13.724 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -3.316 4.569 -14.146 1.00 0.00 H new ATOM 0 HE ARG A 128 -5.650 2.916 -14.282 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -2.247 2.799 -13.324 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -2.093 1.074 -13.671 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -5.438 0.708 -14.724 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -3.892 -0.105 -14.460 1.00 0.00 H new ATOM 65 N VAL A 129 -4.754 4.845 -8.173 1.00 0.00 N ATOM 66 CA VAL A 129 -4.234 4.175 -6.986 1.00 0.00 C ATOM 67 C VAL A 129 -5.157 4.378 -5.788 1.00 0.00 C ATOM 68 O VAL A 129 -5.793 5.423 -5.651 1.00 0.00 O ATOM 69 CB VAL A 129 -2.820 4.685 -6.630 1.00 0.00 C ATOM 70 CG1 VAL A 129 -2.390 4.190 -5.255 1.00 0.00 C ATOM 71 CG2 VAL A 129 -1.816 4.260 -7.692 1.00 0.00 C ATOM 0 H VAL A 129 -4.824 5.859 -8.088 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.181 3.111 -7.219 1.00 0.00 H new ATOM 0 HB VAL A 129 -2.851 5.774 -6.600 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -1.391 4.564 -5.030 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -3.091 4.551 -4.503 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -2.380 3.100 -5.247 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -0.826 4.628 -7.424 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -1.793 3.172 -7.757 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -2.109 4.675 -8.656 1.00 0.00 H new ATOM 81 N ILE A 130 -5.214 3.374 -4.920 1.00 0.00 N ATOM 82 CA ILE A 130 -6.046 3.440 -3.726 1.00 0.00 C ATOM 83 C ILE A 130 -5.243 3.057 -2.490 1.00 0.00 C ATOM 84 O ILE A 130 -4.844 1.904 -2.326 1.00 0.00 O ATOM 85 CB ILE A 130 -7.275 2.518 -3.844 1.00 0.00 C ATOM 86 CG1 ILE A 130 -8.067 2.862 -5.104 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.158 2.640 -2.610 1.00 0.00 C ATOM 88 CD1 ILE A 130 -7.695 2.018 -6.303 1.00 0.00 C ATOM 0 H ILE A 130 -4.692 2.503 -5.022 1.00 0.00 H new ATOM 0 HA ILE A 130 -6.392 4.469 -3.629 1.00 0.00 H new ATOM 0 HB ILE A 130 -6.931 1.486 -3.915 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -9.131 2.739 -4.899 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -7.909 3.913 -5.347 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -9.020 1.981 -2.713 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.588 2.356 -1.725 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.499 3.670 -2.507 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.297 2.318 -7.160 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -6.639 2.159 -6.534 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -7.880 0.967 -6.080 1.00 0.00 H new ATOM 100 N ALA A 131 -5.008 4.035 -1.625 1.00 0.00 N ATOM 101 CA ALA A 131 -4.250 3.808 -0.400 1.00 0.00 C ATOM 102 C ALA A 131 -4.327 5.016 0.526 1.00 0.00 C ATOM 103 O ALA A 131 -4.533 6.143 0.076 1.00 0.00 O ATOM 104 CB ALA A 131 -2.800 3.490 -0.731 1.00 0.00 C ATOM 0 H ALA A 131 -5.331 4.994 -1.749 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.691 2.957 0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.244 3.323 0.192 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.756 2.593 -1.349 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.359 4.326 -1.273 1.00 0.00 H new ATOM 110 N MET A 132 -4.159 4.775 1.822 1.00 0.00 N ATOM 111 CA MET A 132 -4.206 5.847 2.808 1.00 0.00 C ATOM 112 C MET A 132 -3.125 6.890 2.524 1.00 0.00 C ATOM 113 O MET A 132 -2.050 6.559 2.024 1.00 0.00 O ATOM 114 CB MET A 132 -4.030 5.277 4.218 1.00 0.00 C ATOM 115 CG MET A 132 -5.319 5.229 5.020 1.00 0.00 C ATOM 116 SD MET A 132 -5.041 5.401 6.793 1.00 0.00 S ATOM 117 CE MET A 132 -6.305 4.311 7.442 1.00 0.00 C ATOM 0 H MET A 132 -3.989 3.848 2.213 1.00 0.00 H new ATOM 0 HA MET A 132 -5.180 6.332 2.741 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.620 4.270 4.145 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.299 5.881 4.756 1.00 0.00 H new ATOM 0 HG2 MET A 132 -5.983 6.025 4.681 1.00 0.00 H new ATOM 0 HG3 MET A 132 -5.828 4.285 4.826 1.00 0.00 H new ATOM 0 HE1 MET A 132 -6.260 4.310 8.531 1.00 0.00 H new ATOM 0 HE2 MET A 132 -7.286 4.659 7.119 1.00 0.00 H new ATOM 0 HE3 MET A 132 -6.139 3.300 7.071 1.00 0.00 H new ATOM 127 N PRO A 133 -3.399 8.167 2.838 1.00 0.00 N ATOM 128 CA PRO A 133 -2.445 9.257 2.612 1.00 0.00 C ATOM 129 C PRO A 133 -1.062 8.951 3.177 1.00 0.00 C ATOM 130 O PRO A 133 -0.058 9.487 2.711 1.00 0.00 O ATOM 131 CB PRO A 133 -3.075 10.438 3.352 1.00 0.00 C ATOM 132 CG PRO A 133 -4.535 10.146 3.354 1.00 0.00 C ATOM 133 CD PRO A 133 -4.659 8.650 3.437 1.00 0.00 C ATOM 0 HA PRO A 133 -2.281 9.438 1.550 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.686 10.522 4.367 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -2.860 11.381 2.849 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -5.028 10.626 4.200 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -5.010 10.527 2.450 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -4.769 8.313 4.468 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.529 8.288 2.889 1.00 0.00 H new ATOM 141 N SER A 134 -1.017 8.089 4.188 1.00 0.00 N ATOM 142 CA SER A 134 0.243 7.716 4.819 1.00 0.00 C ATOM 143 C SER A 134 0.853 6.485 4.152 1.00 0.00 C ATOM 144 O SER A 134 2.071 6.316 4.140 1.00 0.00 O ATOM 145 CB SER A 134 0.031 7.448 6.309 1.00 0.00 C ATOM 146 OG SER A 134 -0.952 6.449 6.514 1.00 0.00 O ATOM 0 H SER A 134 -1.839 7.636 4.587 1.00 0.00 H new ATOM 0 HA SER A 134 0.936 8.549 4.698 1.00 0.00 H new ATOM 0 HB2 SER A 134 0.972 7.135 6.763 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.273 8.369 6.807 1.00 0.00 H new ATOM 0 HG SER A 134 -1.067 6.296 7.475 1.00 0.00 H new ATOM 152 N VAL A 135 -0.001 5.628 3.601 1.00 0.00 N ATOM 153 CA VAL A 135 0.460 4.414 2.939 1.00 0.00 C ATOM 154 C VAL A 135 1.203 4.730 1.654 1.00 0.00 C ATOM 155 O VAL A 135 2.287 4.204 1.409 1.00 0.00 O ATOM 156 CB VAL A 135 -0.702 3.466 2.613 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.192 2.207 1.924 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.464 3.128 3.880 1.00 0.00 C ATOM 0 H VAL A 135 -1.013 5.752 3.600 1.00 0.00 H new ATOM 0 HA VAL A 135 1.136 3.924 3.640 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.384 3.965 1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -1.032 1.548 1.702 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.312 2.479 0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.509 1.692 2.580 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.287 2.455 3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.793 2.643 4.590 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.860 4.043 4.321 1.00 0.00 H new ATOM 168 N ARG A 136 0.620 5.590 0.836 1.00 0.00 N ATOM 169 CA ARG A 136 1.242 5.965 -0.423 1.00 0.00 C ATOM 170 C ARG A 136 2.651 6.480 -0.167 1.00 0.00 C ATOM 171 O ARG A 136 3.545 6.311 -0.992 1.00 0.00 O ATOM 172 CB ARG A 136 0.408 7.036 -1.134 1.00 0.00 C ATOM 173 CG ARG A 136 -0.456 6.487 -2.257 1.00 0.00 C ATOM 174 CD ARG A 136 -1.439 7.531 -2.764 1.00 0.00 C ATOM 175 NE ARG A 136 -0.960 8.192 -3.974 1.00 0.00 N ATOM 176 CZ ARG A 136 -1.731 8.925 -4.774 1.00 0.00 C ATOM 177 NH1 ARG A 136 -3.018 9.092 -4.495 1.00 0.00 N ATOM 178 NH2 ARG A 136 -1.215 9.492 -5.856 1.00 0.00 N ATOM 0 H ARG A 136 -0.277 6.039 1.019 1.00 0.00 H new ATOM 0 HA ARG A 136 1.294 5.086 -1.066 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -0.232 7.531 -0.403 1.00 0.00 H new ATOM 0 HB3 ARG A 136 1.076 7.796 -1.539 1.00 0.00 H new ATOM 0 HG2 ARG A 136 0.180 6.155 -3.078 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -1.002 5.613 -1.903 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.399 7.057 -2.966 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.609 8.276 -1.987 1.00 0.00 H new ATOM 0 HE ARG A 136 0.024 8.086 -4.221 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -3.420 8.658 -3.664 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -3.605 9.655 -5.111 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -0.227 9.367 -6.076 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -1.806 10.054 -6.469 1.00 0.00 H new ATOM 192 N LYS A 137 2.841 7.085 1.000 1.00 0.00 N ATOM 193 CA LYS A 137 4.140 7.604 1.392 1.00 0.00 C ATOM 194 C LYS A 137 5.040 6.468 1.853 1.00 0.00 C ATOM 195 O LYS A 137 6.240 6.454 1.575 1.00 0.00 O ATOM 196 CB LYS A 137 3.984 8.641 2.506 1.00 0.00 C ATOM 197 CG LYS A 137 5.306 9.206 3.005 1.00 0.00 C ATOM 198 CD LYS A 137 5.350 9.270 4.523 1.00 0.00 C ATOM 199 CE LYS A 137 5.107 10.683 5.029 1.00 0.00 C ATOM 200 NZ LYS A 137 5.236 10.772 6.510 1.00 0.00 N ATOM 0 H LYS A 137 2.106 7.227 1.692 1.00 0.00 H new ATOM 0 HA LYS A 137 4.598 8.087 0.529 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.363 9.460 2.144 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.455 8.185 3.343 1.00 0.00 H new ATOM 0 HG2 LYS A 137 6.127 8.587 2.642 1.00 0.00 H new ATOM 0 HG3 LYS A 137 5.454 10.205 2.594 1.00 0.00 H new ATOM 0 HD2 LYS A 137 4.598 8.599 4.938 1.00 0.00 H new ATOM 0 HD3 LYS A 137 6.320 8.918 4.875 1.00 0.00 H new ATOM 0 HE2 LYS A 137 5.818 11.364 4.561 1.00 0.00 H new ATOM 0 HE3 LYS A 137 4.110 11.009 4.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 5.063 11.751 6.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 4.540 10.142 6.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 6.195 10.485 6.793 1.00 0.00 H new ATOM 214 N TYR A 138 4.449 5.520 2.574 1.00 0.00 N ATOM 215 CA TYR A 138 5.194 4.382 3.090 1.00 0.00 C ATOM 216 C TYR A 138 5.686 3.491 1.956 1.00 0.00 C ATOM 217 O TYR A 138 6.861 3.135 1.905 1.00 0.00 O ATOM 218 CB TYR A 138 4.316 3.578 4.038 1.00 0.00 C ATOM 219 CG TYR A 138 4.991 2.330 4.547 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.152 2.404 5.303 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.478 1.078 4.254 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.781 1.261 5.755 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.098 -0.068 4.699 1.00 0.00 C ATOM 224 CZ TYR A 138 6.250 0.026 5.451 1.00 0.00 C ATOM 225 OH TYR A 138 6.873 -1.117 5.896 1.00 0.00 O ATOM 0 H TYR A 138 3.457 5.519 2.813 1.00 0.00 H new ATOM 0 HA TYR A 138 6.063 4.757 3.630 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.036 4.204 4.885 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.394 3.303 3.526 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.570 3.371 5.542 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.576 0.999 3.666 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.684 1.334 6.343 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.684 -1.036 4.460 1.00 0.00 H new ATOM 0 HH TYR A 138 6.369 -1.902 5.596 1.00 0.00 H new ATOM 235 N ALA A 139 4.794 3.157 1.029 1.00 0.00 N ATOM 236 CA ALA A 139 5.170 2.341 -0.113 1.00 0.00 C ATOM 237 C ALA A 139 6.131 3.131 -0.977 1.00 0.00 C ATOM 238 O ALA A 139 7.169 2.632 -1.399 1.00 0.00 O ATOM 239 CB ALA A 139 3.945 1.927 -0.918 1.00 0.00 C ATOM 0 H ALA A 139 3.814 3.438 1.048 1.00 0.00 H new ATOM 0 HA ALA A 139 5.652 1.429 0.239 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.256 1.317 -1.766 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.271 1.350 -0.284 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.430 2.817 -1.280 1.00 0.00 H new ATOM 245 N ARG A 140 5.782 4.390 -1.208 1.00 0.00 N ATOM 246 CA ARG A 140 6.619 5.281 -1.996 1.00 0.00 C ATOM 247 C ARG A 140 8.031 5.330 -1.417 1.00 0.00 C ATOM 248 O ARG A 140 9.009 5.493 -2.147 1.00 0.00 O ATOM 249 CB ARG A 140 6.008 6.684 -2.024 1.00 0.00 C ATOM 250 CG ARG A 140 6.820 7.690 -2.824 1.00 0.00 C ATOM 251 CD ARG A 140 6.042 8.197 -4.027 1.00 0.00 C ATOM 252 NE ARG A 140 6.908 8.840 -5.012 1.00 0.00 N ATOM 253 CZ ARG A 140 6.560 9.045 -6.281 1.00 0.00 C ATOM 254 NH1 ARG A 140 5.370 8.659 -6.722 1.00 0.00 N ATOM 255 NH2 ARG A 140 7.406 9.639 -7.112 1.00 0.00 N ATOM 0 H ARG A 140 4.923 4.816 -0.860 1.00 0.00 H new ATOM 0 HA ARG A 140 6.675 4.901 -3.016 1.00 0.00 H new ATOM 0 HB2 ARG A 140 5.004 6.625 -2.444 1.00 0.00 H new ATOM 0 HB3 ARG A 140 5.904 7.046 -1.001 1.00 0.00 H new ATOM 0 HG2 ARG A 140 7.094 8.530 -2.185 1.00 0.00 H new ATOM 0 HG3 ARG A 140 7.749 7.227 -3.158 1.00 0.00 H new ATOM 0 HD2 ARG A 140 5.517 7.364 -4.495 1.00 0.00 H new ATOM 0 HD3 ARG A 140 5.283 8.906 -3.695 1.00 0.00 H new ATOM 0 HE ARG A 140 7.832 9.150 -4.711 1.00 0.00 H new ATOM 0 HH11 ARG A 140 4.715 8.202 -6.088 1.00 0.00 H new ATOM 0 HH12 ARG A 140 5.110 8.819 -7.695 1.00 0.00 H new ATOM 0 HH21 ARG A 140 8.322 9.938 -6.779 1.00 0.00 H new ATOM 0 HH22 ARG A 140 7.140 9.796 -8.084 1.00 0.00 H new ATOM 269 N GLU A 141 8.124 5.178 -0.097 1.00 0.00 N ATOM 270 CA GLU A 141 9.407 5.195 0.590 1.00 0.00 C ATOM 271 C GLU A 141 10.059 3.820 0.558 1.00 0.00 C ATOM 272 O GLU A 141 11.276 3.698 0.421 1.00 0.00 O ATOM 273 CB GLU A 141 9.220 5.647 2.038 1.00 0.00 C ATOM 274 CG GLU A 141 9.027 7.146 2.189 1.00 0.00 C ATOM 275 CD GLU A 141 10.317 7.921 1.999 1.00 0.00 C ATOM 276 OE1 GLU A 141 10.669 8.211 0.837 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.974 8.236 3.014 1.00 0.00 O ATOM 0 H GLU A 141 7.321 5.041 0.517 1.00 0.00 H new ATOM 0 HA GLU A 141 10.061 5.898 0.074 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.356 5.134 2.461 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.089 5.341 2.620 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.291 7.489 1.462 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.622 7.359 3.178 1.00 0.00 H new ATOM 284 N LYS A 142 9.236 2.787 0.698 1.00 0.00 N ATOM 285 CA LYS A 142 9.716 1.413 0.699 1.00 0.00 C ATOM 286 C LYS A 142 9.902 0.873 -0.720 1.00 0.00 C ATOM 287 O LYS A 142 9.823 -0.335 -0.941 1.00 0.00 O ATOM 288 CB LYS A 142 8.723 0.533 1.460 1.00 0.00 C ATOM 289 CG LYS A 142 8.639 0.826 2.956 1.00 0.00 C ATOM 290 CD LYS A 142 9.993 1.175 3.552 1.00 0.00 C ATOM 291 CE LYS A 142 9.877 1.523 5.026 1.00 0.00 C ATOM 292 NZ LYS A 142 11.211 1.747 5.651 1.00 0.00 N ATOM 0 H LYS A 142 8.227 2.878 0.813 1.00 0.00 H new ATOM 0 HA LYS A 142 10.690 1.395 1.188 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.733 0.660 1.021 1.00 0.00 H new ATOM 0 HB3 LYS A 142 9.002 -0.512 1.322 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.947 1.651 3.124 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.230 -0.043 3.472 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.675 0.333 3.428 1.00 0.00 H new ATOM 0 HD3 LYS A 142 10.424 2.017 3.011 1.00 0.00 H new ATOM 0 HE2 LYS A 142 9.267 2.419 5.140 1.00 0.00 H new ATOM 0 HE3 LYS A 142 9.361 0.718 5.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 11.088 1.982 6.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 11.784 0.884 5.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 11.693 2.532 5.168 1.00 0.00 H new ATOM 306 N GLY A 143 10.149 1.765 -1.679 1.00 0.00 N ATOM 307 CA GLY A 143 10.336 1.336 -3.056 1.00 0.00 C ATOM 308 C GLY A 143 9.183 0.487 -3.561 1.00 0.00 C ATOM 309 O GLY A 143 9.334 -0.283 -4.509 1.00 0.00 O ATOM 0 H GLY A 143 10.223 2.771 -1.528 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.445 2.212 -3.695 1.00 0.00 H new ATOM 0 HA3 GLY A 143 11.263 0.768 -3.134 1.00 0.00 H new ATOM 313 N VAL A 144 8.028 0.631 -2.919 1.00 0.00 N ATOM 314 CA VAL A 144 6.836 -0.118 -3.289 1.00 0.00 C ATOM 315 C VAL A 144 5.774 0.801 -3.881 1.00 0.00 C ATOM 316 O VAL A 144 5.607 1.940 -3.446 1.00 0.00 O ATOM 317 CB VAL A 144 6.244 -0.853 -2.067 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.864 -1.417 -2.379 1.00 0.00 C ATOM 319 CG2 VAL A 144 7.184 -1.955 -1.605 1.00 0.00 C ATOM 0 H VAL A 144 7.894 1.267 -2.133 1.00 0.00 H new ATOM 0 HA VAL A 144 7.134 -0.850 -4.039 1.00 0.00 H new ATOM 0 HB VAL A 144 6.132 -0.130 -1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.473 -1.929 -1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 144 4.192 -0.604 -2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.938 -2.123 -3.207 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.752 -2.464 -0.743 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.330 -2.671 -2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 144 8.144 -1.521 -1.327 1.00 0.00 H new ATOM 329 N ASP A 145 5.049 0.287 -4.864 1.00 0.00 N ATOM 330 CA ASP A 145 3.989 1.041 -5.511 1.00 0.00 C ATOM 331 C ASP A 145 2.646 0.367 -5.264 1.00 0.00 C ATOM 332 O ASP A 145 2.505 -0.841 -5.453 1.00 0.00 O ATOM 333 CB ASP A 145 4.253 1.158 -7.014 1.00 0.00 C ATOM 334 CG ASP A 145 3.402 2.227 -7.670 1.00 0.00 C ATOM 335 OD1 ASP A 145 2.165 2.190 -7.497 1.00 0.00 O ATOM 336 OD2 ASP A 145 3.971 3.101 -8.356 1.00 0.00 O ATOM 0 H ASP A 145 5.178 -0.656 -5.232 1.00 0.00 H new ATOM 0 HA ASP A 145 3.966 2.045 -5.086 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.306 1.385 -7.178 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.056 0.198 -7.490 1.00 0.00 H new ATOM 341 N ILE A 146 1.663 1.150 -4.841 1.00 0.00 N ATOM 342 CA ILE A 146 0.333 0.619 -4.567 1.00 0.00 C ATOM 343 C ILE A 146 -0.201 -0.177 -5.759 1.00 0.00 C ATOM 344 O ILE A 146 -1.081 -1.024 -5.604 1.00 0.00 O ATOM 345 CB ILE A 146 -0.663 1.744 -4.225 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.115 2.624 -3.099 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.011 1.160 -3.833 1.00 0.00 C ATOM 348 CD1 ILE A 146 0.055 1.890 -1.787 1.00 0.00 C ATOM 0 H ILE A 146 1.760 2.153 -4.680 1.00 0.00 H new ATOM 0 HA ILE A 146 0.429 -0.043 -3.707 1.00 0.00 H new ATOM 0 HB ILE A 146 -0.798 2.364 -5.112 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.848 3.033 -3.405 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -0.787 3.469 -2.949 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.702 1.968 -3.595 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.409 0.575 -4.662 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -1.889 0.518 -2.961 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.447 2.575 -1.035 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.910 1.504 -1.458 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.751 1.062 -1.921 1.00 0.00 H new ATOM 360 N ARG A 147 0.339 0.094 -6.946 1.00 0.00 N ATOM 361 CA ARG A 147 -0.086 -0.605 -8.153 1.00 0.00 C ATOM 362 C ARG A 147 0.259 -2.086 -8.059 1.00 0.00 C ATOM 363 O ARG A 147 -0.466 -2.939 -8.570 1.00 0.00 O ATOM 364 CB ARG A 147 0.575 0.010 -9.387 1.00 0.00 C ATOM 365 CG ARG A 147 -0.027 1.344 -9.799 1.00 0.00 C ATOM 366 CD ARG A 147 0.827 2.042 -10.845 1.00 0.00 C ATOM 367 NE ARG A 147 0.532 3.470 -10.930 1.00 0.00 N ATOM 368 CZ ARG A 147 1.344 4.364 -11.488 1.00 0.00 C ATOM 369 NH1 ARG A 147 2.502 3.982 -12.012 1.00 0.00 N ATOM 370 NH2 ARG A 147 0.998 5.644 -11.522 1.00 0.00 N ATOM 0 H ARG A 147 1.069 0.790 -7.096 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.167 -0.502 -8.247 1.00 0.00 H new ATOM 0 HB2 ARG A 147 1.638 0.146 -9.189 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.493 -0.689 -10.219 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -1.030 1.185 -10.194 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.127 1.985 -8.923 1.00 0.00 H new ATOM 0 HD2 ARG A 147 1.881 1.904 -10.603 1.00 0.00 H new ATOM 0 HD3 ARG A 147 0.659 1.579 -11.817 1.00 0.00 H new ATOM 0 HE ARG A 147 -0.349 3.802 -10.538 1.00 0.00 H new ATOM 0 HH11 ARG A 147 2.773 2.999 -11.988 1.00 0.00 H new ATOM 0 HH12 ARG A 147 3.121 4.671 -12.439 1.00 0.00 H new ATOM 0 HH21 ARG A 147 0.109 5.943 -11.120 1.00 0.00 H new ATOM 0 HH22 ARG A 147 1.621 6.329 -11.950 1.00 0.00 H new ATOM 384 N LEU A 148 1.372 -2.379 -7.398 1.00 0.00 N ATOM 385 CA LEU A 148 1.826 -3.749 -7.224 1.00 0.00 C ATOM 386 C LEU A 148 1.211 -4.374 -5.972 1.00 0.00 C ATOM 387 O LEU A 148 1.461 -5.540 -5.665 1.00 0.00 O ATOM 388 CB LEU A 148 3.351 -3.793 -7.131 1.00 0.00 C ATOM 389 CG LEU A 148 4.078 -2.600 -7.753 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.574 -2.708 -7.522 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.771 -2.503 -9.239 1.00 0.00 C ATOM 0 H LEU A 148 1.979 -1.679 -6.972 1.00 0.00 H new ATOM 0 HA LEU A 148 1.503 -4.325 -8.091 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.633 -3.862 -6.080 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.702 -4.704 -7.615 1.00 0.00 H new ATOM 0 HG LEU A 148 3.722 -1.690 -7.270 1.00 0.00 H new ATOM 0 HD11 LEU A 148 6.074 -1.850 -7.972 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.776 -2.726 -6.451 1.00 0.00 H new ATOM 0 HD13 LEU A 148 5.947 -3.625 -7.977 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.297 -1.648 -9.664 1.00 0.00 H new ATOM 0 HD22 LEU A 148 4.098 -3.415 -9.738 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.698 -2.376 -9.381 1.00 0.00 H new ATOM 403 N VAL A 149 0.412 -3.593 -5.247 1.00 0.00 N ATOM 404 CA VAL A 149 -0.225 -4.073 -4.029 1.00 0.00 C ATOM 405 C VAL A 149 -1.741 -4.126 -4.185 1.00 0.00 C ATOM 406 O VAL A 149 -2.334 -3.295 -4.872 1.00 0.00 O ATOM 407 CB VAL A 149 0.125 -3.177 -2.826 1.00 0.00 C ATOM 408 CG1 VAL A 149 -0.316 -3.830 -1.525 1.00 0.00 C ATOM 409 CG2 VAL A 149 1.616 -2.872 -2.800 1.00 0.00 C ATOM 0 H VAL A 149 0.192 -2.626 -5.485 1.00 0.00 H new ATOM 0 HA VAL A 149 0.153 -5.079 -3.848 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.412 -2.235 -2.932 1.00 0.00 H new ATOM 0 HG11 VAL A 149 -0.060 -3.181 -0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -1.394 -3.989 -1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.190 -4.789 -1.409 1.00 0.00 H new ATOM 0 HG21 VAL A 149 1.843 -2.238 -1.943 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.177 -3.803 -2.721 1.00 0.00 H new ATOM 0 HG23 VAL A 149 1.898 -2.356 -3.718 1.00 0.00 H new ATOM 419 N GLN A 150 -2.363 -5.109 -3.540 1.00 0.00 N ATOM 420 CA GLN A 150 -3.811 -5.270 -3.606 1.00 0.00 C ATOM 421 C GLN A 150 -4.467 -4.804 -2.310 1.00 0.00 C ATOM 422 O GLN A 150 -4.348 -5.458 -1.273 1.00 0.00 O ATOM 423 CB GLN A 150 -4.170 -6.733 -3.878 1.00 0.00 C ATOM 424 CG GLN A 150 -5.301 -6.905 -4.878 1.00 0.00 C ATOM 425 CD GLN A 150 -5.648 -8.361 -5.121 1.00 0.00 C ATOM 426 OE1 GLN A 150 -4.851 -9.256 -4.843 1.00 0.00 O ATOM 427 NE2 GLN A 150 -6.845 -8.604 -5.643 1.00 0.00 N ATOM 0 H GLN A 150 -1.887 -5.805 -2.966 1.00 0.00 H new ATOM 0 HA GLN A 150 -4.185 -4.654 -4.424 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -3.286 -7.253 -4.248 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -4.450 -7.210 -2.939 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -6.185 -6.380 -4.515 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -5.020 -6.440 -5.823 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -7.474 -7.831 -5.858 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -7.135 -9.564 -5.829 1.00 0.00 H new ATOM 436 N GLY A 151 -5.156 -3.670 -2.375 1.00 0.00 N ATOM 437 CA GLY A 151 -5.817 -3.136 -1.201 1.00 0.00 C ATOM 438 C GLY A 151 -6.964 -4.005 -0.728 1.00 0.00 C ATOM 439 O GLY A 151 -7.866 -4.326 -1.500 1.00 0.00 O ATOM 0 H GLY A 151 -5.268 -3.111 -3.221 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -5.090 -3.032 -0.396 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -6.192 -2.137 -1.423 1.00 0.00 H new ATOM 443 N THR A 152 -6.927 -4.384 0.545 1.00 0.00 N ATOM 444 CA THR A 152 -7.972 -5.220 1.125 1.00 0.00 C ATOM 445 C THR A 152 -8.687 -4.493 2.262 1.00 0.00 C ATOM 446 O THR A 152 -9.226 -5.124 3.171 1.00 0.00 O ATOM 447 CB THR A 152 -7.377 -6.535 1.638 1.00 0.00 C ATOM 448 OG1 THR A 152 -5.985 -6.402 1.862 1.00 0.00 O ATOM 449 CG2 THR A 152 -7.581 -7.694 0.686 1.00 0.00 C ATOM 0 H THR A 152 -6.185 -4.126 1.195 1.00 0.00 H new ATOM 0 HA THR A 152 -8.701 -5.438 0.345 1.00 0.00 H new ATOM 0 HB THR A 152 -7.907 -6.750 2.566 1.00 0.00 H new ATOM 0 HG1 THR A 152 -5.624 -7.252 2.191 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.136 -8.595 1.109 1.00 0.00 H new ATOM 0 HG22 THR A 152 -8.648 -7.854 0.531 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.106 -7.469 -0.269 1.00 0.00 H new ATOM 457 N GLY A 153 -8.681 -3.163 2.212 1.00 0.00 N ATOM 458 CA GLY A 153 -9.326 -2.382 3.251 1.00 0.00 C ATOM 459 C GLY A 153 -10.510 -1.580 2.745 1.00 0.00 C ATOM 460 O GLY A 153 -10.483 -1.046 1.637 1.00 0.00 O ATOM 0 H GLY A 153 -8.242 -2.615 1.472 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.660 -3.050 4.045 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.597 -1.703 3.692 1.00 0.00 H new ATOM 464 N LYS A 154 -11.550 -1.494 3.569 1.00 0.00 N ATOM 465 CA LYS A 154 -12.758 -0.749 3.224 1.00 0.00 C ATOM 466 C LYS A 154 -13.285 -1.130 1.838 1.00 0.00 C ATOM 467 O LYS A 154 -14.087 -2.056 1.707 1.00 0.00 O ATOM 468 CB LYS A 154 -12.491 0.755 3.299 1.00 0.00 C ATOM 469 CG LYS A 154 -12.628 1.327 4.700 1.00 0.00 C ATOM 470 CD LYS A 154 -14.071 1.687 5.011 1.00 0.00 C ATOM 471 CE LYS A 154 -14.884 0.458 5.377 1.00 0.00 C ATOM 472 NZ LYS A 154 -16.105 0.811 6.153 1.00 0.00 N ATOM 0 H LYS A 154 -11.580 -1.935 4.488 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.528 -1.012 3.950 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -11.485 0.956 2.930 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -13.183 1.272 2.635 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -12.267 0.601 5.428 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -12.001 2.213 4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -14.100 2.402 5.833 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -14.519 2.177 4.147 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -15.172 -0.071 4.468 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -14.267 -0.225 5.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -16.632 -0.055 6.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -15.830 1.293 7.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -16.706 1.442 5.586 1.00 0.00 H new ATOM 486 N ASN A 155 -12.845 -0.411 0.806 1.00 0.00 N ATOM 487 CA ASN A 155 -13.291 -0.680 -0.556 1.00 0.00 C ATOM 488 C ASN A 155 -12.143 -1.181 -1.427 1.00 0.00 C ATOM 489 O ASN A 155 -12.112 -0.929 -2.632 1.00 0.00 O ATOM 490 CB ASN A 155 -13.897 0.582 -1.173 1.00 0.00 C ATOM 491 CG ASN A 155 -15.235 0.942 -0.555 1.00 0.00 C ATOM 492 OD1 ASN A 155 -16.289 0.672 -1.129 1.00 0.00 O ATOM 493 ND2 ASN A 155 -15.197 1.554 0.623 1.00 0.00 N ATOM 0 H ASN A 155 -12.182 0.360 0.889 1.00 0.00 H new ATOM 0 HA ASN A 155 -14.050 -1.461 -0.510 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -13.205 1.414 -1.045 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -14.023 0.434 -2.246 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -16.065 1.820 1.088 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -14.300 1.758 1.063 1.00 0.00 H new ATOM 500 N GLY A 156 -11.205 -1.893 -0.815 1.00 0.00 N ATOM 501 CA GLY A 156 -10.076 -2.419 -1.557 1.00 0.00 C ATOM 502 C GLY A 156 -8.875 -1.491 -1.533 1.00 0.00 C ATOM 503 O GLY A 156 -8.048 -1.515 -2.443 1.00 0.00 O ATOM 0 H GLY A 156 -11.206 -2.115 0.180 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.792 -3.385 -1.141 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.375 -2.593 -2.591 1.00 0.00 H new ATOM 507 N ARG A 157 -8.780 -0.673 -0.491 1.00 0.00 N ATOM 508 CA ARG A 157 -7.671 0.265 -0.351 1.00 0.00 C ATOM 509 C ARG A 157 -6.462 -0.418 0.283 1.00 0.00 C ATOM 510 O ARG A 157 -6.610 -1.327 1.099 1.00 0.00 O ATOM 511 CB ARG A 157 -8.105 1.469 0.492 1.00 0.00 C ATOM 512 CG ARG A 157 -6.970 2.422 0.838 1.00 0.00 C ATOM 513 CD ARG A 157 -7.413 3.480 1.836 1.00 0.00 C ATOM 514 NE ARG A 157 -7.485 4.807 1.231 1.00 0.00 N ATOM 515 CZ ARG A 157 -8.061 5.857 1.814 1.00 0.00 C ATOM 516 NH1 ARG A 157 -8.613 5.737 3.016 1.00 0.00 N ATOM 517 NH2 ARG A 157 -8.082 7.029 1.196 1.00 0.00 N ATOM 0 H ARG A 157 -9.458 -0.640 0.270 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.384 0.613 -1.343 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.876 2.019 -0.048 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.558 1.109 1.416 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -6.134 1.858 1.252 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.610 2.905 -0.070 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -8.390 3.212 2.239 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -6.717 3.501 2.675 1.00 0.00 H new ATOM 0 HE ARG A 157 -7.070 4.937 0.308 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -8.597 4.838 3.497 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -9.053 6.544 3.458 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -7.657 7.127 0.274 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -8.523 7.833 1.642 1.00 0.00 H new ATOM 531 N VAL A 158 -5.267 0.023 -0.099 1.00 0.00 N ATOM 532 CA VAL A 158 -4.037 -0.551 0.432 1.00 0.00 C ATOM 533 C VAL A 158 -3.695 0.041 1.794 1.00 0.00 C ATOM 534 O VAL A 158 -3.813 1.246 2.011 1.00 0.00 O ATOM 535 CB VAL A 158 -2.845 -0.345 -0.533 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.512 -0.493 0.192 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.924 -1.328 -1.688 1.00 0.00 C ATOM 0 H VAL A 158 -5.125 0.775 -0.773 1.00 0.00 H new ATOM 0 HA VAL A 158 -4.213 -1.621 0.542 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.905 0.670 -0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.695 -0.343 -0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.446 0.250 0.987 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.441 -1.492 0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -2.079 -1.171 -2.358 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.896 -2.347 -1.301 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.854 -1.173 -2.235 1.00 0.00 H new ATOM 547 N LEU A 159 -3.263 -0.824 2.702 1.00 0.00 N ATOM 548 CA LEU A 159 -2.888 -0.408 4.044 1.00 0.00 C ATOM 549 C LEU A 159 -1.383 -0.531 4.235 1.00 0.00 C ATOM 550 O LEU A 159 -0.711 -1.236 3.483 1.00 0.00 O ATOM 551 CB LEU A 159 -3.615 -1.268 5.079 1.00 0.00 C ATOM 552 CG LEU A 159 -5.137 -1.095 5.122 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.711 -1.722 6.382 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.516 0.377 5.038 1.00 0.00 C ATOM 0 H LEU A 159 -3.164 -1.825 2.530 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.175 0.635 4.179 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.391 -2.316 4.879 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.212 -1.039 6.065 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.562 -1.606 4.258 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.793 -1.589 6.394 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.476 -2.786 6.398 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.276 -1.241 7.258 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.601 0.476 5.070 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -5.078 0.914 5.879 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.141 0.797 4.104 1.00 0.00 H new ATOM 566 N LYS A 160 -0.846 0.143 5.248 1.00 0.00 N ATOM 567 CA LYS A 160 0.584 0.069 5.513 1.00 0.00 C ATOM 568 C LYS A 160 0.998 -1.386 5.690 1.00 0.00 C ATOM 569 O LYS A 160 2.102 -1.780 5.315 1.00 0.00 O ATOM 570 CB LYS A 160 0.954 0.879 6.755 1.00 0.00 C ATOM 571 CG LYS A 160 2.454 0.962 6.998 1.00 0.00 C ATOM 572 CD LYS A 160 2.800 0.685 8.452 1.00 0.00 C ATOM 573 CE LYS A 160 4.276 0.365 8.621 1.00 0.00 C ATOM 574 NZ LYS A 160 4.744 0.615 10.013 1.00 0.00 N ATOM 0 H LYS A 160 -1.371 0.737 5.889 1.00 0.00 H new ATOM 0 HA LYS A 160 1.117 0.495 4.663 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.553 1.888 6.654 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.476 0.432 7.627 1.00 0.00 H new ATOM 0 HG2 LYS A 160 2.967 0.244 6.358 1.00 0.00 H new ATOM 0 HG3 LYS A 160 2.814 1.952 6.720 1.00 0.00 H new ATOM 0 HD2 LYS A 160 2.542 1.552 9.060 1.00 0.00 H new ATOM 0 HD3 LYS A 160 2.201 -0.150 8.817 1.00 0.00 H new ATOM 0 HE2 LYS A 160 4.453 -0.679 8.361 1.00 0.00 H new ATOM 0 HE3 LYS A 160 4.860 0.970 7.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 5.755 0.384 10.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 4.599 1.616 10.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 4.205 0.019 10.673 1.00 0.00 H new ATOM 588 N GLU A 161 0.085 -2.184 6.239 1.00 0.00 N ATOM 589 CA GLU A 161 0.339 -3.602 6.436 1.00 0.00 C ATOM 590 C GLU A 161 0.507 -4.275 5.082 1.00 0.00 C ATOM 591 O GLU A 161 1.345 -5.161 4.913 1.00 0.00 O ATOM 592 CB GLU A 161 -0.811 -4.251 7.209 1.00 0.00 C ATOM 593 CG GLU A 161 -1.104 -3.578 8.540 1.00 0.00 C ATOM 594 CD GLU A 161 -1.764 -4.515 9.534 1.00 0.00 C ATOM 595 OE1 GLU A 161 -1.528 -5.737 9.443 1.00 0.00 O ATOM 596 OE2 GLU A 161 -2.515 -4.025 10.403 1.00 0.00 O ATOM 0 H GLU A 161 -0.833 -1.871 6.553 1.00 0.00 H new ATOM 0 HA GLU A 161 1.252 -3.724 7.018 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -1.710 -4.228 6.594 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.573 -5.300 7.386 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -0.174 -3.200 8.965 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -1.751 -2.717 8.373 1.00 0.00 H new ATOM 603 N ASP A 162 -0.285 -3.824 4.112 1.00 0.00 N ATOM 604 CA ASP A 162 -0.213 -4.359 2.759 1.00 0.00 C ATOM 605 C ASP A 162 1.164 -4.084 2.171 1.00 0.00 C ATOM 606 O ASP A 162 1.819 -4.978 1.633 1.00 0.00 O ATOM 607 CB ASP A 162 -1.295 -3.729 1.879 1.00 0.00 C ATOM 608 CG ASP A 162 -2.612 -4.475 1.951 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.608 -5.709 1.758 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.648 -3.823 2.202 1.00 0.00 O ATOM 0 H ASP A 162 -0.982 -3.091 4.240 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.379 -5.436 2.795 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.450 -2.695 2.185 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -0.950 -3.707 0.845 1.00 0.00 H new ATOM 615 N ILE A 163 1.601 -2.836 2.299 1.00 0.00 N ATOM 616 CA ILE A 163 2.910 -2.416 1.807 1.00 0.00 C ATOM 617 C ILE A 163 4.003 -3.329 2.351 1.00 0.00 C ATOM 618 O ILE A 163 4.783 -3.904 1.593 1.00 0.00 O ATOM 619 CB ILE A 163 3.235 -0.967 2.228 1.00 0.00 C ATOM 620 CG1 ILE A 163 2.096 -0.026 1.845 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.549 -0.506 1.602 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.816 -0.006 0.366 1.00 0.00 C ATOM 0 H ILE A 163 1.063 -2.091 2.743 1.00 0.00 H new ATOM 0 HA ILE A 163 2.875 -2.475 0.719 1.00 0.00 H new ATOM 0 HB ILE A 163 3.347 -0.943 3.312 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.192 -0.325 2.375 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.340 0.983 2.176 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.760 0.518 1.911 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.358 -1.158 1.931 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.469 -0.548 0.516 1.00 0.00 H new ATOM 0 HD11 ILE A 163 0.996 0.682 0.160 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.708 0.322 -0.169 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.541 -1.007 0.034 1.00 0.00 H new ATOM 634 N ASP A 164 4.043 -3.459 3.674 1.00 0.00 N ATOM 635 CA ASP A 164 5.032 -4.305 4.329 1.00 0.00 C ATOM 636 C ASP A 164 4.943 -5.735 3.806 1.00 0.00 C ATOM 637 O ASP A 164 5.955 -6.422 3.670 1.00 0.00 O ATOM 638 CB ASP A 164 4.827 -4.288 5.844 1.00 0.00 C ATOM 639 CG ASP A 164 6.058 -4.751 6.598 1.00 0.00 C ATOM 640 OD1 ASP A 164 6.482 -5.907 6.390 1.00 0.00 O ATOM 641 OD2 ASP A 164 6.598 -3.958 7.398 1.00 0.00 O ATOM 0 H ASP A 164 3.401 -2.989 4.312 1.00 0.00 H new ATOM 0 HA ASP A 164 6.023 -3.912 4.103 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.568 -3.278 6.162 1.00 0.00 H new ATOM 0 HB3 ASP A 164 3.984 -4.929 6.101 1.00 0.00 H new ATOM 646 N ALA A 165 3.723 -6.171 3.507 1.00 0.00 N ATOM 647 CA ALA A 165 3.501 -7.515 2.991 1.00 0.00 C ATOM 648 C ALA A 165 4.177 -7.685 1.638 1.00 0.00 C ATOM 649 O ALA A 165 4.735 -8.740 1.336 1.00 0.00 O ATOM 650 CB ALA A 165 2.010 -7.800 2.881 1.00 0.00 C ATOM 0 H ALA A 165 2.875 -5.614 3.613 1.00 0.00 H new ATOM 0 HA ALA A 165 3.940 -8.230 3.687 1.00 0.00 H new ATOM 0 HB1 ALA A 165 1.860 -8.808 2.494 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.550 -7.717 3.866 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.551 -7.079 2.204 1.00 0.00 H new ATOM 656 N TRP A 166 4.129 -6.631 0.827 1.00 0.00 N ATOM 657 CA TRP A 166 4.745 -6.653 -0.494 1.00 0.00 C ATOM 658 C TRP A 166 6.242 -6.912 -0.380 1.00 0.00 C ATOM 659 O TRP A 166 6.767 -7.864 -0.957 1.00 0.00 O ATOM 660 CB TRP A 166 4.503 -5.323 -1.209 1.00 0.00 C ATOM 661 CG TRP A 166 4.786 -5.373 -2.680 1.00 0.00 C ATOM 662 CD1 TRP A 166 5.706 -4.630 -3.361 1.00 0.00 C ATOM 663 CD2 TRP A 166 4.144 -6.207 -3.651 1.00 0.00 C ATOM 664 NE1 TRP A 166 5.676 -4.950 -4.696 1.00 0.00 N ATOM 665 CE2 TRP A 166 4.726 -5.915 -4.899 1.00 0.00 C ATOM 666 CE3 TRP A 166 3.136 -7.173 -3.587 1.00 0.00 C ATOM 667 CZ2 TRP A 166 4.332 -6.554 -6.072 1.00 0.00 C ATOM 668 CZ3 TRP A 166 2.745 -7.807 -4.752 1.00 0.00 C ATOM 669 CH2 TRP A 166 3.343 -7.496 -5.981 1.00 0.00 C ATOM 0 H TRP A 166 3.669 -5.751 1.063 1.00 0.00 H new ATOM 0 HA TRP A 166 4.292 -7.458 -1.073 1.00 0.00 H new ATOM 0 HB2 TRP A 166 3.467 -5.021 -1.057 1.00 0.00 H new ATOM 0 HB3 TRP A 166 5.129 -4.556 -0.753 1.00 0.00 H new ATOM 0 HD1 TRP A 166 6.362 -3.897 -2.915 1.00 0.00 H new ATOM 0 HE1 TRP A 166 6.265 -4.536 -5.419 1.00 0.00 H new ATOM 0 HE3 TRP A 166 2.671 -7.420 -2.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 4.791 -6.315 -7.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 1.966 -8.554 -4.714 1.00 0.00 H new ATOM 0 HH2 TRP A 166 3.017 -8.010 -6.873 1.00 0.00 H new ATOM 680 N LEU A 167 6.920 -6.054 0.372 1.00 0.00 N ATOM 681 CA LEU A 167 8.359 -6.176 0.574 1.00 0.00 C ATOM 682 C LEU A 167 8.695 -7.457 1.331 1.00 0.00 C ATOM 683 O LEU A 167 9.750 -8.057 1.120 1.00 0.00 O ATOM 684 CB LEU A 167 8.886 -4.963 1.340 1.00 0.00 C ATOM 685 CG LEU A 167 8.548 -3.610 0.708 1.00 0.00 C ATOM 686 CD1 LEU A 167 7.888 -2.691 1.725 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.798 -2.960 0.131 1.00 0.00 C ATOM 0 H LEU A 167 6.494 -5.262 0.854 1.00 0.00 H new ATOM 0 HA LEU A 167 8.839 -6.219 -0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.483 -4.987 2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 167 9.969 -5.048 1.426 1.00 0.00 H new ATOM 0 HG LEU A 167 7.843 -3.781 -0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.656 -1.735 1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 167 6.968 -3.150 2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 167 8.566 -2.528 2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 167 9.537 -2.000 -0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.528 -2.805 0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 167 10.226 -3.609 -0.633 1.00 0.00 H new ATOM 699 N ALA A 168 7.791 -7.871 2.212 1.00 0.00 N ATOM 700 CA ALA A 168 7.990 -9.081 3.000 1.00 0.00 C ATOM 701 C ALA A 168 7.921 -10.328 2.125 1.00 0.00 C ATOM 702 O ALA A 168 8.491 -11.366 2.462 1.00 0.00 O ATOM 703 CB ALA A 168 6.957 -9.158 4.114 1.00 0.00 C ATOM 0 H ALA A 168 6.913 -7.386 2.398 1.00 0.00 H new ATOM 0 HA ALA A 168 8.985 -9.037 3.442 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.116 -10.066 4.696 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.057 -8.289 4.764 1.00 0.00 H new ATOM 0 HB3 ALA A 168 5.956 -9.174 3.682 1.00 0.00 H new ATOM 709 N GLY A 169 7.220 -10.220 1.000 1.00 0.00 N ATOM 710 CA GLY A 169 7.091 -11.348 0.096 1.00 0.00 C ATOM 711 C GLY A 169 7.668 -11.061 -1.277 1.00 0.00 C ATOM 712 O GLY A 169 7.226 -11.630 -2.275 1.00 0.00 O ATOM 0 H GLY A 169 6.740 -9.372 0.699 1.00 0.00 H new ATOM 0 HA2 GLY A 169 7.596 -12.213 0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 169 6.038 -11.611 -0.004 1.00 0.00 H new ATOM 716 N GLY A 170 8.656 -10.174 -1.328 1.00 0.00 N ATOM 717 CA GLY A 170 9.278 -9.828 -2.593 1.00 0.00 C ATOM 718 C GLY A 170 10.700 -9.333 -2.424 1.00 0.00 C ATOM 719 O GLY A 170 11.173 -9.264 -1.270 1.00 0.00 O ATOM 720 OXT GLY A 170 11.343 -9.014 -3.446 1.00 0.00 O ATOM 0 H GLY A 170 9.037 -9.688 -0.516 1.00 0.00 H new ATOM 0 HA2 GLY A 170 9.276 -10.701 -3.246 1.00 0.00 H new ATOM 0 HA3 GLY A 170 8.685 -9.058 -3.087 1.00 0.00 H new TER 724 GLY A 170