USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 385 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 SER OG : rot 180:sc= 0 USER MOD Single : A 132 MET CE :methyl 176:sc= -5.33! (180deg=-5.63) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot 89:sc= 0.174 USER MOD Single : A 148 LYS NZ :NH3+ 152:sc= -0.117 (180deg=-0.916) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot 54:sc= 1.14 USER MOD Single : A 159 THR OG1 : rot -80:sc= -0.985! USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 THR OG1 : rot -79:sc= 0.719 USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 174 THR OG1 : rot -1:sc= 2.01 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 125 15.967 8.772 7.885 1.00 0.00 N ATOM 2 CA GLY A 125 14.870 8.802 6.880 1.00 0.00 C ATOM 3 C GLY A 125 14.266 7.434 6.639 1.00 0.00 C ATOM 4 O GLY A 125 13.073 7.314 6.356 1.00 0.00 O ATOM 0 HA2 GLY A 125 14.091 9.485 7.218 1.00 0.00 H new ATOM 0 HA3 GLY A 125 15.254 9.197 5.939 1.00 0.00 H new ATOM 10 N SER A 126 15.090 6.396 6.749 1.00 0.00 N ATOM 11 CA SER A 126 14.630 5.028 6.540 1.00 0.00 C ATOM 12 C SER A 126 14.778 4.204 7.815 1.00 0.00 C ATOM 13 O SER A 126 15.887 3.991 8.304 1.00 0.00 O ATOM 14 CB SER A 126 15.413 4.373 5.401 1.00 0.00 C ATOM 15 OG SER A 126 14.569 3.564 4.601 1.00 0.00 O ATOM 0 H SER A 126 16.080 6.477 6.982 1.00 0.00 H new ATOM 0 HA SER A 126 13.574 5.063 6.272 1.00 0.00 H new ATOM 0 HB2 SER A 126 15.876 5.143 4.784 1.00 0.00 H new ATOM 0 HB3 SER A 126 16.220 3.767 5.812 1.00 0.00 H new ATOM 0 HG SER A 126 15.093 3.158 3.879 1.00 0.00 H new ATOM 21 N ARG A 127 13.651 3.742 8.349 1.00 0.00 N ATOM 22 CA ARG A 127 13.655 2.941 9.567 1.00 0.00 C ATOM 23 C ARG A 127 13.764 1.455 9.241 1.00 0.00 C ATOM 24 O ARG A 127 14.774 0.817 9.538 1.00 0.00 O ATOM 25 CB ARG A 127 12.387 3.205 10.381 1.00 0.00 C ATOM 26 CG ARG A 127 12.608 3.154 11.884 1.00 0.00 C ATOM 27 CD ARG A 127 11.289 3.141 12.639 1.00 0.00 C ATOM 28 NE ARG A 127 10.374 4.176 12.161 1.00 0.00 N ATOM 29 CZ ARG A 127 9.061 4.164 12.380 1.00 0.00 C ATOM 30 NH1 ARG A 127 8.504 3.173 13.066 1.00 0.00 N ATOM 31 NH2 ARG A 127 8.302 5.143 11.910 1.00 0.00 N ATOM 0 H ARG A 127 12.724 3.909 7.957 1.00 0.00 H new ATOM 0 HA ARG A 127 14.524 3.229 10.158 1.00 0.00 H new ATOM 0 HB2 ARG A 127 11.991 4.184 10.113 1.00 0.00 H new ATOM 0 HB3 ARG A 127 11.630 2.470 10.108 1.00 0.00 H new ATOM 0 HG2 ARG A 127 13.183 2.264 12.139 1.00 0.00 H new ATOM 0 HG3 ARG A 127 13.199 4.015 12.196 1.00 0.00 H new ATOM 0 HD2 ARG A 127 10.819 2.164 12.531 1.00 0.00 H new ATOM 0 HD3 ARG A 127 11.478 3.288 13.702 1.00 0.00 H new ATOM 0 HE ARG A 127 10.765 4.953 11.628 1.00 0.00 H new ATOM 0 HH11 ARG A 127 9.083 2.415 13.428 1.00 0.00 H new ATOM 0 HH12 ARG A 127 7.497 3.169 13.231 1.00 0.00 H new ATOM 0 HH21 ARG A 127 8.724 5.906 11.380 1.00 0.00 H new ATOM 0 HH22 ARG A 127 7.296 5.134 12.078 1.00 0.00 H new ATOM 45 N GLU A 128 12.718 0.910 8.627 1.00 0.00 N ATOM 46 CA GLU A 128 12.698 -0.501 8.260 1.00 0.00 C ATOM 47 C GLU A 128 11.614 -0.777 7.224 1.00 0.00 C ATOM 48 O GLU A 128 11.846 -1.477 6.238 1.00 0.00 O ATOM 49 CB GLU A 128 12.471 -1.369 9.499 1.00 0.00 C ATOM 50 CG GLU A 128 13.391 -2.576 9.573 1.00 0.00 C ATOM 51 CD GLU A 128 14.434 -2.450 10.668 1.00 0.00 C ATOM 52 OE1 GLU A 128 15.117 -1.405 10.719 1.00 0.00 O ATOM 53 OE2 GLU A 128 14.566 -3.394 11.474 1.00 0.00 O ATOM 0 H GLU A 128 11.874 1.424 8.374 1.00 0.00 H new ATOM 0 HA GLU A 128 13.665 -0.752 7.823 1.00 0.00 H new ATOM 0 HB2 GLU A 128 12.614 -0.759 10.391 1.00 0.00 H new ATOM 0 HB3 GLU A 128 11.436 -1.710 9.508 1.00 0.00 H new ATOM 0 HG2 GLU A 128 12.795 -3.472 9.746 1.00 0.00 H new ATOM 0 HG3 GLU A 128 13.891 -2.706 8.613 1.00 0.00 H new ATOM 60 N VAL A 129 10.433 -0.221 7.454 1.00 0.00 N ATOM 61 CA VAL A 129 9.308 -0.401 6.544 1.00 0.00 C ATOM 62 C VAL A 129 9.351 0.625 5.420 1.00 0.00 C ATOM 63 O VAL A 129 9.282 1.828 5.665 1.00 0.00 O ATOM 64 CB VAL A 129 7.957 -0.267 7.272 1.00 0.00 C ATOM 65 CG1 VAL A 129 6.862 -0.992 6.505 1.00 0.00 C ATOM 66 CG2 VAL A 129 8.050 -0.789 8.699 1.00 0.00 C ATOM 0 H VAL A 129 10.227 0.361 8.266 1.00 0.00 H new ATOM 0 HA VAL A 129 9.396 -1.408 6.136 1.00 0.00 H new ATOM 0 HB VAL A 129 7.702 0.792 7.318 1.00 0.00 H new ATOM 0 HG11 VAL A 129 5.915 -0.886 7.035 1.00 0.00 H new ATOM 0 HG12 VAL A 129 6.770 -0.561 5.508 1.00 0.00 H new ATOM 0 HG13 VAL A 129 7.115 -2.049 6.422 1.00 0.00 H new ATOM 0 HG21 VAL A 129 7.082 -0.682 9.189 1.00 0.00 H new ATOM 0 HG22 VAL A 129 8.335 -1.841 8.684 1.00 0.00 H new ATOM 0 HG23 VAL A 129 8.799 -0.218 9.247 1.00 0.00 H new ATOM 76 N ALA A 130 9.459 0.147 4.186 1.00 0.00 N ATOM 77 CA ALA A 130 9.503 1.039 3.037 1.00 0.00 C ATOM 78 C ALA A 130 8.120 1.211 2.424 1.00 0.00 C ATOM 79 O ALA A 130 7.276 0.318 2.498 1.00 0.00 O ATOM 80 CB ALA A 130 10.480 0.521 1.992 1.00 0.00 C ATOM 0 H ALA A 130 9.517 -0.845 3.958 1.00 0.00 H new ATOM 0 HA ALA A 130 9.847 2.013 3.385 1.00 0.00 H new ATOM 0 HB1 ALA A 130 10.498 1.202 1.141 1.00 0.00 H new ATOM 0 HB2 ALA A 130 11.478 0.457 2.427 1.00 0.00 H new ATOM 0 HB3 ALA A 130 10.165 -0.468 1.658 1.00 0.00 H new ATOM 86 N ALA A 131 7.902 2.364 1.807 1.00 0.00 N ATOM 87 CA ALA A 131 6.630 2.660 1.165 1.00 0.00 C ATOM 88 C ALA A 131 6.825 3.629 0.006 1.00 0.00 C ATOM 89 O ALA A 131 6.865 4.843 0.206 1.00 0.00 O ATOM 90 CB ALA A 131 5.647 3.231 2.176 1.00 0.00 C ATOM 0 H ALA A 131 8.592 3.112 1.738 1.00 0.00 H new ATOM 0 HA ALA A 131 6.221 1.731 0.768 1.00 0.00 H new ATOM 0 HB1 ALA A 131 4.700 3.447 1.681 1.00 0.00 H new ATOM 0 HB2 ALA A 131 5.482 2.506 2.973 1.00 0.00 H new ATOM 0 HB3 ALA A 131 6.053 4.150 2.600 1.00 0.00 H new ATOM 96 N MET A 132 6.954 3.092 -1.207 1.00 0.00 N ATOM 97 CA MET A 132 7.151 3.931 -2.389 1.00 0.00 C ATOM 98 C MET A 132 6.149 5.090 -2.409 1.00 0.00 C ATOM 99 O MET A 132 5.177 5.093 -1.651 1.00 0.00 O ATOM 100 CB MET A 132 7.043 3.095 -3.669 1.00 0.00 C ATOM 101 CG MET A 132 5.759 2.288 -3.777 1.00 0.00 C ATOM 102 SD MET A 132 5.551 1.537 -5.404 1.00 0.00 S ATOM 103 CE MET A 132 6.823 0.278 -5.360 1.00 0.00 C ATOM 0 H MET A 132 6.926 2.090 -1.396 1.00 0.00 H new ATOM 0 HA MET A 132 8.154 4.354 -2.342 1.00 0.00 H new ATOM 0 HB2 MET A 132 7.116 3.759 -4.531 1.00 0.00 H new ATOM 0 HB3 MET A 132 7.893 2.414 -3.718 1.00 0.00 H new ATOM 0 HG2 MET A 132 5.760 1.507 -3.017 1.00 0.00 H new ATOM 0 HG3 MET A 132 4.908 2.936 -3.568 1.00 0.00 H new ATOM 0 HE1 MET A 132 6.774 -0.320 -6.270 1.00 0.00 H new ATOM 0 HE2 MET A 132 7.802 0.752 -5.290 1.00 0.00 H new ATOM 0 HE3 MET A 132 6.668 -0.365 -4.494 1.00 0.00 H new ATOM 113 N PRO A 133 6.383 6.101 -3.264 1.00 0.00 N ATOM 114 CA PRO A 133 5.510 7.280 -3.362 1.00 0.00 C ATOM 115 C PRO A 133 4.117 6.946 -3.882 1.00 0.00 C ATOM 116 O PRO A 133 3.113 7.378 -3.316 1.00 0.00 O ATOM 117 CB PRO A 133 6.241 8.197 -4.355 1.00 0.00 C ATOM 118 CG PRO A 133 7.632 7.663 -4.434 1.00 0.00 C ATOM 119 CD PRO A 133 7.519 6.188 -4.190 1.00 0.00 C ATOM 0 HA PRO A 133 5.345 7.731 -2.383 1.00 0.00 H new ATOM 0 HB2 PRO A 133 5.758 8.183 -5.332 1.00 0.00 H new ATOM 0 HB3 PRO A 133 6.236 9.232 -4.012 1.00 0.00 H new ATOM 0 HG2 PRO A 133 8.073 7.865 -5.410 1.00 0.00 H new ATOM 0 HG3 PRO A 133 8.274 8.134 -3.690 1.00 0.00 H new ATOM 0 HD2 PRO A 133 7.333 5.638 -5.112 1.00 0.00 H new ATOM 0 HD3 PRO A 133 8.430 5.779 -3.753 1.00 0.00 H new ATOM 127 N ALA A 134 4.065 6.182 -4.964 1.00 0.00 N ATOM 128 CA ALA A 134 2.795 5.796 -5.568 1.00 0.00 C ATOM 129 C ALA A 134 1.870 5.132 -4.550 1.00 0.00 C ATOM 130 O ALA A 134 0.703 5.507 -4.416 1.00 0.00 O ATOM 131 CB ALA A 134 3.049 4.865 -6.744 1.00 0.00 C ATOM 0 H ALA A 134 4.888 5.816 -5.443 1.00 0.00 H new ATOM 0 HA ALA A 134 2.296 6.698 -5.923 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.098 4.578 -7.193 1.00 0.00 H new ATOM 0 HB2 ALA A 134 3.662 5.376 -7.487 1.00 0.00 H new ATOM 0 HB3 ALA A 134 3.569 3.973 -6.396 1.00 0.00 H new ATOM 137 N ALA A 135 2.401 4.147 -3.835 1.00 0.00 N ATOM 138 CA ALA A 135 1.630 3.425 -2.831 1.00 0.00 C ATOM 139 C ALA A 135 1.322 4.310 -1.631 1.00 0.00 C ATOM 140 O ALA A 135 0.260 4.198 -1.018 1.00 0.00 O ATOM 141 CB ALA A 135 2.377 2.176 -2.398 1.00 0.00 C ATOM 0 H ALA A 135 3.365 3.830 -3.933 1.00 0.00 H new ATOM 0 HA ALA A 135 0.680 3.130 -3.277 1.00 0.00 H new ATOM 0 HB1 ALA A 135 1.792 1.644 -1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.535 1.529 -3.261 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.341 2.457 -1.974 1.00 0.00 H new ATOM 147 N ARG A 136 2.253 5.197 -1.306 1.00 0.00 N ATOM 148 CA ARG A 136 2.077 6.111 -0.186 1.00 0.00 C ATOM 149 C ARG A 136 0.990 7.129 -0.498 1.00 0.00 C ATOM 150 O ARG A 136 0.089 7.368 0.306 1.00 0.00 O ATOM 151 CB ARG A 136 3.386 6.832 0.107 1.00 0.00 C ATOM 152 CG ARG A 136 4.150 6.242 1.277 1.00 0.00 C ATOM 153 CD ARG A 136 4.700 7.324 2.192 1.00 0.00 C ATOM 154 NE ARG A 136 5.844 6.854 2.969 1.00 0.00 N ATOM 155 CZ ARG A 136 6.272 7.436 4.087 1.00 0.00 C ATOM 156 NH1 ARG A 136 5.653 8.510 4.563 1.00 0.00 N ATOM 157 NH2 ARG A 136 7.320 6.944 4.732 1.00 0.00 N ATOM 0 H ARG A 136 3.138 5.303 -1.802 1.00 0.00 H new ATOM 0 HA ARG A 136 1.779 5.534 0.690 1.00 0.00 H new ATOM 0 HB2 ARG A 136 4.016 6.801 -0.782 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.176 7.882 0.312 1.00 0.00 H new ATOM 0 HG2 ARG A 136 3.493 5.584 1.846 1.00 0.00 H new ATOM 0 HG3 ARG A 136 4.971 5.629 0.904 1.00 0.00 H new ATOM 0 HD2 ARG A 136 4.997 8.187 1.596 1.00 0.00 H new ATOM 0 HD3 ARG A 136 3.915 7.660 2.869 1.00 0.00 H new ATOM 0 HE ARG A 136 6.345 6.031 2.635 1.00 0.00 H new ATOM 0 HH11 ARG A 136 4.845 8.893 4.072 1.00 0.00 H new ATOM 0 HH12 ARG A 136 5.985 8.952 5.420 1.00 0.00 H new ATOM 0 HH21 ARG A 136 7.799 6.119 4.372 1.00 0.00 H new ATOM 0 HH22 ARG A 136 7.647 7.391 5.589 1.00 0.00 H new ATOM 171 N ARG A 137 1.093 7.722 -1.677 1.00 0.00 N ATOM 172 CA ARG A 137 0.132 8.722 -2.124 1.00 0.00 C ATOM 173 C ARG A 137 -1.280 8.157 -2.121 1.00 0.00 C ATOM 174 O ARG A 137 -2.183 8.716 -1.496 1.00 0.00 O ATOM 175 CB ARG A 137 0.486 9.209 -3.528 1.00 0.00 C ATOM 176 CG ARG A 137 -0.396 10.348 -4.015 1.00 0.00 C ATOM 177 CD ARG A 137 -0.091 10.709 -5.459 1.00 0.00 C ATOM 178 NE ARG A 137 0.888 11.788 -5.560 1.00 0.00 N ATOM 179 CZ ARG A 137 0.594 13.075 -5.387 1.00 0.00 C ATOM 180 NH1 ARG A 137 -0.650 13.447 -5.106 1.00 0.00 N ATOM 181 NH2 ARG A 137 1.544 13.993 -5.494 1.00 0.00 N ATOM 0 H ARG A 137 1.837 7.527 -2.347 1.00 0.00 H new ATOM 0 HA ARG A 137 0.174 9.562 -1.430 1.00 0.00 H new ATOM 0 HB2 ARG A 137 1.526 9.535 -3.539 1.00 0.00 H new ATOM 0 HB3 ARG A 137 0.406 8.374 -4.225 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -1.444 10.063 -3.924 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -0.247 11.222 -3.381 1.00 0.00 H new ATOM 0 HD2 ARG A 137 0.285 9.829 -5.981 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -1.012 11.007 -5.960 1.00 0.00 H new ATOM 0 HE ARG A 137 1.854 11.541 -5.776 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -1.385 12.745 -5.022 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -0.870 14.434 -4.974 1.00 0.00 H new ATOM 0 HH21 ARG A 137 2.501 13.714 -5.709 1.00 0.00 H new ATOM 0 HH22 ARG A 137 1.318 14.979 -5.361 1.00 0.00 H new ATOM 195 N LEU A 138 -1.467 7.043 -2.819 1.00 0.00 N ATOM 196 CA LEU A 138 -2.763 6.406 -2.892 1.00 0.00 C ATOM 197 C LEU A 138 -3.221 5.972 -1.507 1.00 0.00 C ATOM 198 O LEU A 138 -4.389 6.106 -1.164 1.00 0.00 O ATOM 199 CB LEU A 138 -2.696 5.206 -3.831 1.00 0.00 C ATOM 200 CG LEU A 138 -1.825 4.058 -3.345 1.00 0.00 C ATOM 201 CD1 LEU A 138 -2.595 3.177 -2.380 1.00 0.00 C ATOM 202 CD2 LEU A 138 -1.326 3.249 -4.528 1.00 0.00 C ATOM 0 H LEU A 138 -0.732 6.566 -3.341 1.00 0.00 H new ATOM 0 HA LEU A 138 -3.487 7.121 -3.283 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -3.707 4.832 -3.992 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -2.323 5.541 -4.799 1.00 0.00 H new ATOM 0 HG LEU A 138 -0.965 4.469 -2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -1.956 2.361 -2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -2.912 3.768 -1.521 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -3.472 2.767 -2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -0.703 2.429 -4.171 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -2.176 2.846 -5.078 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -0.740 3.890 -5.186 1.00 0.00 H new ATOM 214 N ALA A 139 -2.290 5.451 -0.710 1.00 0.00 N ATOM 215 CA ALA A 139 -2.610 5.001 0.640 1.00 0.00 C ATOM 216 C ALA A 139 -3.225 6.136 1.452 1.00 0.00 C ATOM 217 O ALA A 139 -4.130 5.917 2.258 1.00 0.00 O ATOM 218 CB ALA A 139 -1.362 4.471 1.329 1.00 0.00 C ATOM 0 H ALA A 139 -1.313 5.331 -0.976 1.00 0.00 H new ATOM 0 HA ALA A 139 -3.340 4.194 0.571 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.616 4.139 2.336 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -0.961 3.632 0.760 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -0.614 5.262 1.386 1.00 0.00 H new ATOM 224 N LYS A 140 -2.726 7.348 1.226 1.00 0.00 N ATOM 225 CA LYS A 140 -3.224 8.524 1.926 1.00 0.00 C ATOM 226 C LYS A 140 -4.558 8.980 1.342 1.00 0.00 C ATOM 227 O LYS A 140 -5.419 9.488 2.060 1.00 0.00 O ATOM 228 CB LYS A 140 -2.203 9.662 1.845 1.00 0.00 C ATOM 229 CG LYS A 140 -1.999 10.390 3.165 1.00 0.00 C ATOM 230 CD LYS A 140 -1.985 11.899 2.976 1.00 0.00 C ATOM 231 CE LYS A 140 -0.567 12.448 2.965 1.00 0.00 C ATOM 232 NZ LYS A 140 -0.540 13.922 3.166 1.00 0.00 N ATOM 0 H LYS A 140 -1.976 7.540 0.562 1.00 0.00 H new ATOM 0 HA LYS A 140 -3.378 8.256 2.971 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -1.247 9.259 1.510 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -2.528 10.378 1.091 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -2.794 10.117 3.858 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -1.059 10.071 3.616 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -2.482 12.154 2.040 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -2.553 12.372 3.777 1.00 0.00 H new ATOM 0 HE2 LYS A 140 0.015 11.964 3.749 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -0.090 12.202 2.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 0.445 14.256 3.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -1.074 14.386 2.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -0.972 14.155 4.083 1.00 0.00 H new ATOM 246 N GLU A 141 -4.725 8.793 0.036 1.00 0.00 N ATOM 247 CA GLU A 141 -5.959 9.184 -0.641 1.00 0.00 C ATOM 248 C GLU A 141 -7.048 8.129 -0.439 1.00 0.00 C ATOM 249 O GLU A 141 -8.237 8.411 -0.590 1.00 0.00 O ATOM 250 CB GLU A 141 -5.698 9.397 -2.134 1.00 0.00 C ATOM 251 CG GLU A 141 -6.949 9.728 -2.934 1.00 0.00 C ATOM 252 CD GLU A 141 -6.715 9.676 -4.431 1.00 0.00 C ATOM 253 OE1 GLU A 141 -5.828 10.407 -4.918 1.00 0.00 O ATOM 254 OE2 GLU A 141 -7.419 8.904 -5.115 1.00 0.00 O ATOM 0 H GLU A 141 -4.023 8.374 -0.574 1.00 0.00 H new ATOM 0 HA GLU A 141 -6.306 10.121 -0.206 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -4.976 10.204 -2.256 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -5.242 8.497 -2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -7.741 9.027 -2.669 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -7.299 10.723 -2.659 1.00 0.00 H new ATOM 261 N LEU A 142 -6.628 6.916 -0.099 1.00 0.00 N ATOM 262 CA LEU A 142 -7.544 5.809 0.126 1.00 0.00 C ATOM 263 C LEU A 142 -7.864 5.670 1.609 1.00 0.00 C ATOM 264 O LEU A 142 -8.936 5.195 1.984 1.00 0.00 O ATOM 265 CB LEU A 142 -6.921 4.510 -0.388 1.00 0.00 C ATOM 266 CG LEU A 142 -7.054 4.273 -1.894 1.00 0.00 C ATOM 267 CD1 LEU A 142 -5.745 3.755 -2.474 1.00 0.00 C ATOM 268 CD2 LEU A 142 -8.186 3.300 -2.178 1.00 0.00 C ATOM 0 H LEU A 142 -5.645 6.675 0.028 1.00 0.00 H new ATOM 0 HA LEU A 142 -8.469 6.010 -0.414 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -5.862 4.506 -0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -7.381 3.673 0.137 1.00 0.00 H new ATOM 0 HG LEU A 142 -7.286 5.224 -2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -5.861 3.593 -3.546 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -4.956 4.486 -2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -5.480 2.814 -1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -8.268 3.141 -3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 142 -7.981 2.349 -1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -9.122 3.710 -1.799 1.00 0.00 H new ATOM 280 N GLY A 143 -6.917 6.079 2.448 1.00 0.00 N ATOM 281 CA GLY A 143 -7.105 5.983 3.882 1.00 0.00 C ATOM 282 C GLY A 143 -6.877 4.576 4.388 1.00 0.00 C ATOM 283 O GLY A 143 -7.640 4.069 5.209 1.00 0.00 O ATOM 0 H GLY A 143 -6.023 6.475 2.159 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -6.419 6.665 4.384 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -8.116 6.301 4.138 1.00 0.00 H new ATOM 287 N ILE A 144 -5.823 3.944 3.886 1.00 0.00 N ATOM 288 CA ILE A 144 -5.490 2.582 4.278 1.00 0.00 C ATOM 289 C ILE A 144 -4.118 2.523 4.945 1.00 0.00 C ATOM 290 O ILE A 144 -3.136 3.037 4.410 1.00 0.00 O ATOM 291 CB ILE A 144 -5.521 1.637 3.055 1.00 0.00 C ATOM 292 CG1 ILE A 144 -5.831 0.202 3.494 1.00 0.00 C ATOM 293 CG2 ILE A 144 -4.212 1.706 2.277 1.00 0.00 C ATOM 294 CD1 ILE A 144 -4.618 -0.580 3.951 1.00 0.00 C ATOM 0 H ILE A 144 -5.184 4.355 3.205 1.00 0.00 H new ATOM 0 HA ILE A 144 -6.240 2.253 4.997 1.00 0.00 H new ATOM 0 HB ILE A 144 -6.317 1.966 2.387 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -6.558 0.231 4.305 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -6.300 -0.327 2.664 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -4.261 1.032 1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -4.050 2.725 1.926 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -3.387 1.410 2.926 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -4.922 -1.585 4.245 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -3.897 -0.643 3.136 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -4.160 -0.076 4.802 1.00 0.00 H new ATOM 306 N ASP A 145 -4.056 1.894 6.113 1.00 0.00 N ATOM 307 CA ASP A 145 -2.801 1.772 6.846 1.00 0.00 C ATOM 308 C ASP A 145 -1.759 1.034 6.011 1.00 0.00 C ATOM 309 O ASP A 145 -1.785 -0.193 5.913 1.00 0.00 O ATOM 310 CB ASP A 145 -3.027 1.036 8.168 1.00 0.00 C ATOM 311 CG ASP A 145 -2.328 1.710 9.333 1.00 0.00 C ATOM 312 OD1 ASP A 145 -2.471 2.941 9.479 1.00 0.00 O ATOM 313 OD2 ASP A 145 -1.637 1.005 10.099 1.00 0.00 O ATOM 0 H ASP A 145 -4.858 1.462 6.572 1.00 0.00 H new ATOM 0 HA ASP A 145 -2.431 2.775 7.057 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -4.096 0.982 8.372 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -2.667 0.011 8.076 1.00 0.00 H new ATOM 318 N ALA A 146 -0.843 1.787 5.410 1.00 0.00 N ATOM 319 CA ALA A 146 0.204 1.198 4.585 1.00 0.00 C ATOM 320 C ALA A 146 1.025 0.191 5.383 1.00 0.00 C ATOM 321 O ALA A 146 1.381 -0.873 4.878 1.00 0.00 O ATOM 322 CB ALA A 146 1.101 2.281 4.009 1.00 0.00 C ATOM 0 H ALA A 146 -0.805 2.804 5.479 1.00 0.00 H new ATOM 0 HA ALA A 146 -0.272 0.668 3.760 1.00 0.00 H new ATOM 0 HB1 ALA A 146 1.877 1.823 3.396 1.00 0.00 H new ATOM 0 HB2 ALA A 146 0.506 2.958 3.396 1.00 0.00 H new ATOM 0 HB3 ALA A 146 1.564 2.840 4.822 1.00 0.00 H new ATOM 328 N SER A 147 1.317 0.528 6.636 1.00 0.00 N ATOM 329 CA SER A 147 2.089 -0.359 7.500 1.00 0.00 C ATOM 330 C SER A 147 1.418 -1.721 7.589 1.00 0.00 C ATOM 331 O SER A 147 2.056 -2.752 7.377 1.00 0.00 O ATOM 332 CB SER A 147 2.250 0.250 8.895 1.00 0.00 C ATOM 333 OG SER A 147 1.376 1.351 9.077 1.00 0.00 O ATOM 0 H SER A 147 1.032 1.404 7.074 1.00 0.00 H new ATOM 0 HA SER A 147 3.081 -0.485 7.067 1.00 0.00 H new ATOM 0 HB2 SER A 147 2.047 -0.508 9.651 1.00 0.00 H new ATOM 0 HB3 SER A 147 3.281 0.573 9.037 1.00 0.00 H new ATOM 0 HG SER A 147 0.516 1.032 9.422 1.00 0.00 H new ATOM 339 N LYS A 148 0.120 -1.720 7.877 1.00 0.00 N ATOM 340 CA LYS A 148 -0.630 -2.964 7.957 1.00 0.00 C ATOM 341 C LYS A 148 -0.507 -3.717 6.633 1.00 0.00 C ATOM 342 O LYS A 148 -0.580 -4.946 6.591 1.00 0.00 O ATOM 343 CB LYS A 148 -2.099 -2.683 8.310 1.00 0.00 C ATOM 344 CG LYS A 148 -3.049 -2.703 7.123 1.00 0.00 C ATOM 345 CD LYS A 148 -3.452 -4.124 6.774 1.00 0.00 C ATOM 346 CE LYS A 148 -4.837 -4.460 7.304 1.00 0.00 C ATOM 347 NZ LYS A 148 -5.886 -3.575 6.727 1.00 0.00 N ATOM 0 H LYS A 148 -0.428 -0.879 8.057 1.00 0.00 H new ATOM 0 HA LYS A 148 -0.218 -3.589 8.749 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -2.432 -3.423 9.038 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -2.163 -1.708 8.794 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -3.938 -2.115 7.354 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -2.572 -2.235 6.262 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -3.435 -4.252 5.692 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -2.724 -4.821 7.189 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -5.072 -5.499 7.072 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -4.842 -4.367 8.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -6.795 -4.081 6.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -5.978 -2.719 7.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -5.619 -3.306 5.759 1.00 0.00 H new ATOM 361 N VAL A 149 -0.294 -2.960 5.556 1.00 0.00 N ATOM 362 CA VAL A 149 -0.129 -3.535 4.229 1.00 0.00 C ATOM 363 C VAL A 149 1.320 -3.964 4.018 1.00 0.00 C ATOM 364 O VAL A 149 2.129 -3.209 3.481 1.00 0.00 O ATOM 365 CB VAL A 149 -0.533 -2.522 3.133 1.00 0.00 C ATOM 366 CG1 VAL A 149 -0.093 -2.993 1.753 1.00 0.00 C ATOM 367 CG2 VAL A 149 -2.032 -2.278 3.165 1.00 0.00 C ATOM 0 H VAL A 149 -0.232 -1.942 5.582 1.00 0.00 H new ATOM 0 HA VAL A 149 -0.780 -4.406 4.156 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.022 -1.581 3.339 1.00 0.00 H new ATOM 0 HG11 VAL A 149 -0.392 -2.258 1.005 1.00 0.00 H new ATOM 0 HG12 VAL A 149 0.991 -3.107 1.736 1.00 0.00 H new ATOM 0 HG13 VAL A 149 -0.562 -3.951 1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -2.301 -1.563 2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -2.557 -3.217 2.991 1.00 0.00 H new ATOM 0 HG23 VAL A 149 -2.315 -1.879 4.139 1.00 0.00 H new ATOM 377 N LYS A 150 1.641 -5.176 4.454 1.00 0.00 N ATOM 378 CA LYS A 150 2.992 -5.711 4.327 1.00 0.00 C ATOM 379 C LYS A 150 3.516 -5.577 2.900 1.00 0.00 C ATOM 380 O LYS A 150 3.257 -6.428 2.049 1.00 0.00 O ATOM 381 CB LYS A 150 3.004 -7.180 4.744 1.00 0.00 C ATOM 382 CG LYS A 150 4.376 -7.825 4.677 1.00 0.00 C ATOM 383 CD LYS A 150 4.485 -8.978 5.660 1.00 0.00 C ATOM 384 CE LYS A 150 4.554 -10.318 4.946 1.00 0.00 C ATOM 385 NZ LYS A 150 5.888 -10.550 4.325 1.00 0.00 N ATOM 0 H LYS A 150 0.980 -5.811 4.901 1.00 0.00 H new ATOM 0 HA LYS A 150 3.646 -5.134 4.981 1.00 0.00 H new ATOM 0 HB2 LYS A 150 2.624 -7.262 5.762 1.00 0.00 H new ATOM 0 HB3 LYS A 150 2.320 -7.736 4.103 1.00 0.00 H new ATOM 0 HG2 LYS A 150 4.563 -8.186 3.666 1.00 0.00 H new ATOM 0 HG3 LYS A 150 5.142 -7.082 4.897 1.00 0.00 H new ATOM 0 HD2 LYS A 150 5.374 -8.848 6.277 1.00 0.00 H new ATOM 0 HD3 LYS A 150 3.626 -8.967 6.331 1.00 0.00 H new ATOM 0 HE2 LYS A 150 4.340 -11.118 5.655 1.00 0.00 H new ATOM 0 HE3 LYS A 150 3.783 -10.359 4.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 5.893 -11.474 3.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 6.082 -9.801 3.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 6.621 -10.537 5.062 1.00 0.00 H new ATOM 399 N GLY A 151 4.253 -4.500 2.648 1.00 0.00 N ATOM 400 CA GLY A 151 4.806 -4.267 1.328 1.00 0.00 C ATOM 401 C GLY A 151 5.874 -5.275 0.954 1.00 0.00 C ATOM 402 O GLY A 151 6.695 -5.660 1.788 1.00 0.00 O ATOM 0 H GLY A 151 4.477 -3.783 3.338 1.00 0.00 H new ATOM 0 HA2 GLY A 151 4.004 -4.304 0.591 1.00 0.00 H new ATOM 0 HA3 GLY A 151 5.230 -3.264 1.288 1.00 0.00 H new ATOM 406 N THR A 152 5.866 -5.701 -0.305 1.00 0.00 N ATOM 407 CA THR A 152 6.845 -6.671 -0.792 1.00 0.00 C ATOM 408 C THR A 152 7.696 -6.074 -1.915 1.00 0.00 C ATOM 409 O THR A 152 8.408 -6.795 -2.615 1.00 0.00 O ATOM 410 CB THR A 152 6.142 -7.952 -1.273 1.00 0.00 C ATOM 411 OG1 THR A 152 6.424 -8.215 -2.637 1.00 0.00 O ATOM 412 CG2 THR A 152 4.636 -7.910 -1.123 1.00 0.00 C ATOM 0 H THR A 152 5.194 -5.391 -1.007 1.00 0.00 H new ATOM 0 HA THR A 152 7.507 -6.927 0.035 1.00 0.00 H new ATOM 0 HB THR A 152 6.537 -8.739 -0.631 1.00 0.00 H new ATOM 0 HG1 THR A 152 7.394 -8.227 -2.774 1.00 0.00 H new ATOM 0 HG21 THR A 152 4.208 -8.846 -1.482 1.00 0.00 H new ATOM 0 HG22 THR A 152 4.379 -7.773 -0.073 1.00 0.00 H new ATOM 0 HG23 THR A 152 4.235 -7.081 -1.706 1.00 0.00 H new ATOM 420 N GLY A 153 7.619 -4.756 -2.085 1.00 0.00 N ATOM 421 CA GLY A 153 8.386 -4.100 -3.126 1.00 0.00 C ATOM 422 C GLY A 153 9.875 -4.071 -2.827 1.00 0.00 C ATOM 423 O GLY A 153 10.278 -4.154 -1.668 1.00 0.00 O ATOM 0 H GLY A 153 7.040 -4.134 -1.521 1.00 0.00 H new ATOM 0 HA2 GLY A 153 8.220 -4.614 -4.073 1.00 0.00 H new ATOM 0 HA3 GLY A 153 8.024 -3.079 -3.250 1.00 0.00 H new ATOM 427 N PRO A 154 10.722 -3.948 -3.868 1.00 0.00 N ATOM 428 CA PRO A 154 12.181 -3.911 -3.714 1.00 0.00 C ATOM 429 C PRO A 154 12.633 -3.013 -2.568 1.00 0.00 C ATOM 430 O PRO A 154 12.625 -1.788 -2.684 1.00 0.00 O ATOM 431 CB PRO A 154 12.654 -3.352 -5.053 1.00 0.00 C ATOM 432 CG PRO A 154 11.626 -3.809 -6.029 1.00 0.00 C ATOM 433 CD PRO A 154 10.318 -3.829 -5.282 1.00 0.00 C ATOM 0 HA PRO A 154 12.590 -4.892 -3.471 1.00 0.00 H new ATOM 0 HB2 PRO A 154 12.722 -2.264 -5.028 1.00 0.00 H new ATOM 0 HB3 PRO A 154 13.644 -3.728 -5.313 1.00 0.00 H new ATOM 0 HG2 PRO A 154 11.575 -3.136 -6.885 1.00 0.00 H new ATOM 0 HG3 PRO A 154 11.869 -4.799 -6.416 1.00 0.00 H new ATOM 0 HD2 PRO A 154 9.743 -2.920 -5.459 1.00 0.00 H new ATOM 0 HD3 PRO A 154 9.693 -4.667 -5.591 1.00 0.00 H new ATOM 441 N GLY A 155 13.028 -3.634 -1.462 1.00 0.00 N ATOM 442 CA GLY A 155 13.478 -2.881 -0.309 1.00 0.00 C ATOM 443 C GLY A 155 12.394 -2.733 0.739 1.00 0.00 C ATOM 444 O GLY A 155 12.438 -1.820 1.565 1.00 0.00 O ATOM 0 H GLY A 155 13.044 -4.647 -1.345 1.00 0.00 H new ATOM 0 HA2 GLY A 155 14.342 -3.378 0.132 1.00 0.00 H new ATOM 0 HA3 GLY A 155 13.808 -1.893 -0.629 1.00 0.00 H new ATOM 448 N GLY A 156 11.415 -3.633 0.705 1.00 0.00 N ATOM 449 CA GLY A 156 10.328 -3.582 1.662 1.00 0.00 C ATOM 450 C GLY A 156 9.360 -2.450 1.384 1.00 0.00 C ATOM 451 O GLY A 156 8.649 -2.007 2.285 1.00 0.00 O ATOM 0 H GLY A 156 11.357 -4.396 0.031 1.00 0.00 H new ATOM 0 HA2 GLY A 156 9.789 -4.529 1.644 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.737 -3.467 2.666 1.00 0.00 H new ATOM 455 N VAL A 157 9.331 -1.969 0.142 1.00 0.00 N ATOM 456 CA VAL A 157 8.439 -0.875 -0.211 1.00 0.00 C ATOM 457 C VAL A 157 7.063 -1.395 -0.600 1.00 0.00 C ATOM 458 O VAL A 157 6.935 -2.213 -1.510 1.00 0.00 O ATOM 459 CB VAL A 157 9.003 0.009 -1.363 1.00 0.00 C ATOM 460 CG1 VAL A 157 10.487 -0.219 -1.573 1.00 0.00 C ATOM 461 CG2 VAL A 157 8.257 -0.213 -2.675 1.00 0.00 C ATOM 0 H VAL A 157 9.908 -2.316 -0.624 1.00 0.00 H new ATOM 0 HA VAL A 157 8.355 -0.252 0.680 1.00 0.00 H new ATOM 0 HB VAL A 157 8.850 1.043 -1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 157 10.841 0.416 -2.385 1.00 0.00 H new ATOM 0 HG12 VAL A 157 11.026 0.027 -0.658 1.00 0.00 H new ATOM 0 HG13 VAL A 157 10.662 -1.264 -1.827 1.00 0.00 H new ATOM 0 HG21 VAL A 157 8.685 0.424 -3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 157 8.348 -1.257 -2.973 1.00 0.00 H new ATOM 0 HG23 VAL A 157 7.204 0.035 -2.541 1.00 0.00 H new ATOM 471 N ILE A 158 6.027 -0.901 0.068 1.00 0.00 N ATOM 472 CA ILE A 158 4.677 -1.315 -0.264 1.00 0.00 C ATOM 473 C ILE A 158 4.370 -0.865 -1.681 1.00 0.00 C ATOM 474 O ILE A 158 4.298 0.328 -1.967 1.00 0.00 O ATOM 475 CB ILE A 158 3.628 -0.756 0.719 1.00 0.00 C ATOM 476 CG1 ILE A 158 3.627 0.772 0.729 1.00 0.00 C ATOM 477 CG2 ILE A 158 3.887 -1.288 2.119 1.00 0.00 C ATOM 478 CD1 ILE A 158 2.321 1.353 1.221 1.00 0.00 C ATOM 0 H ILE A 158 6.097 -0.225 0.829 1.00 0.00 H new ATOM 0 HA ILE A 158 4.621 -2.401 -0.187 1.00 0.00 H new ATOM 0 HB ILE A 158 2.646 -1.088 0.383 1.00 0.00 H new ATOM 0 HG12 ILE A 158 4.439 1.127 1.363 1.00 0.00 H new ATOM 0 HG13 ILE A 158 3.826 1.138 -0.278 1.00 0.00 H new ATOM 0 HG21 ILE A 158 3.141 -0.887 2.805 1.00 0.00 H new ATOM 0 HG22 ILE A 158 3.825 -2.376 2.112 1.00 0.00 H new ATOM 0 HG23 ILE A 158 4.881 -0.983 2.446 1.00 0.00 H new ATOM 0 HD11 ILE A 158 2.379 2.441 1.206 1.00 0.00 H new ATOM 0 HD12 ILE A 158 1.509 1.024 0.573 1.00 0.00 H new ATOM 0 HD13 ILE A 158 2.132 1.013 2.239 1.00 0.00 H new ATOM 490 N THR A 159 4.243 -1.824 -2.582 1.00 0.00 N ATOM 491 CA THR A 159 4.003 -1.508 -3.979 1.00 0.00 C ATOM 492 C THR A 159 2.570 -1.066 -4.216 1.00 0.00 C ATOM 493 O THR A 159 1.664 -1.375 -3.442 1.00 0.00 O ATOM 494 CB THR A 159 4.356 -2.704 -4.859 1.00 0.00 C ATOM 495 OG1 THR A 159 3.579 -3.836 -4.511 1.00 0.00 O ATOM 496 CG2 THR A 159 5.816 -3.094 -4.754 1.00 0.00 C ATOM 0 H THR A 159 4.302 -2.821 -2.373 1.00 0.00 H new ATOM 0 HA THR A 159 4.648 -0.672 -4.249 1.00 0.00 H new ATOM 0 HB THR A 159 4.145 -2.391 -5.882 1.00 0.00 H new ATOM 0 HG1 THR A 159 3.967 -4.269 -3.722 1.00 0.00 H new ATOM 0 HG21 THR A 159 6.011 -3.950 -5.400 1.00 0.00 H new ATOM 0 HG22 THR A 159 6.440 -2.255 -5.064 1.00 0.00 H new ATOM 0 HG23 THR A 159 6.049 -3.358 -3.722 1.00 0.00 H new ATOM 504 N VAL A 160 2.379 -0.322 -5.292 1.00 0.00 N ATOM 505 CA VAL A 160 1.063 0.190 -5.640 1.00 0.00 C ATOM 506 C VAL A 160 0.041 -0.933 -5.717 1.00 0.00 C ATOM 507 O VAL A 160 -1.077 -0.807 -5.220 1.00 0.00 O ATOM 508 CB VAL A 160 1.065 0.957 -6.978 1.00 0.00 C ATOM 509 CG1 VAL A 160 0.179 2.170 -6.851 1.00 0.00 C ATOM 510 CG2 VAL A 160 2.471 1.370 -7.395 1.00 0.00 C ATOM 0 H VAL A 160 3.120 -0.058 -5.942 1.00 0.00 H new ATOM 0 HA VAL A 160 0.789 0.884 -4.846 1.00 0.00 H new ATOM 0 HB VAL A 160 0.683 0.295 -7.755 1.00 0.00 H new ATOM 0 HG11 VAL A 160 0.175 2.718 -7.793 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -0.836 1.855 -6.610 1.00 0.00 H new ATOM 0 HG13 VAL A 160 0.557 2.815 -6.058 1.00 0.00 H new ATOM 0 HG21 VAL A 160 2.426 1.907 -8.342 1.00 0.00 H new ATOM 0 HG22 VAL A 160 2.902 2.017 -6.631 1.00 0.00 H new ATOM 0 HG23 VAL A 160 3.092 0.482 -7.511 1.00 0.00 H new ATOM 520 N GLU A 161 0.442 -2.034 -6.328 1.00 0.00 N ATOM 521 CA GLU A 161 -0.426 -3.192 -6.459 1.00 0.00 C ATOM 522 C GLU A 161 -0.727 -3.775 -5.086 1.00 0.00 C ATOM 523 O GLU A 161 -1.775 -4.383 -4.870 1.00 0.00 O ATOM 524 CB GLU A 161 0.228 -4.251 -7.348 1.00 0.00 C ATOM 525 CG GLU A 161 -0.107 -4.099 -8.823 1.00 0.00 C ATOM 526 CD GLU A 161 1.105 -4.268 -9.718 1.00 0.00 C ATOM 527 OE1 GLU A 161 1.802 -5.296 -9.585 1.00 0.00 O ATOM 528 OE2 GLU A 161 1.357 -3.371 -10.551 1.00 0.00 O ATOM 0 H GLU A 161 1.367 -2.151 -6.743 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.360 -2.877 -6.924 1.00 0.00 H new ATOM 0 HB2 GLU A 161 1.310 -4.201 -7.223 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.086 -5.239 -7.013 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -0.862 -4.835 -9.098 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -0.545 -3.115 -8.993 1.00 0.00 H new ATOM 535 N ASP A 162 0.200 -3.575 -4.157 1.00 0.00 N ATOM 536 CA ASP A 162 0.034 -4.077 -2.800 1.00 0.00 C ATOM 537 C ASP A 162 -1.079 -3.321 -2.086 1.00 0.00 C ATOM 538 O ASP A 162 -1.946 -3.921 -1.451 1.00 0.00 O ATOM 539 CB ASP A 162 1.341 -3.937 -2.012 1.00 0.00 C ATOM 540 CG ASP A 162 2.369 -4.987 -2.385 1.00 0.00 C ATOM 541 OD1 ASP A 162 1.972 -6.053 -2.900 1.00 0.00 O ATOM 542 OD2 ASP A 162 3.576 -4.740 -2.160 1.00 0.00 O ATOM 0 H ASP A 162 1.072 -3.070 -4.318 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.233 -5.132 -2.858 1.00 0.00 H new ATOM 0 HB2 ASP A 162 1.761 -2.946 -2.187 1.00 0.00 H new ATOM 0 HB3 ASP A 162 1.126 -4.008 -0.946 1.00 0.00 H new ATOM 547 N VAL A 163 -1.043 -1.999 -2.195 1.00 0.00 N ATOM 548 CA VAL A 163 -2.046 -1.153 -1.553 1.00 0.00 C ATOM 549 C VAL A 163 -3.381 -1.212 -2.289 1.00 0.00 C ATOM 550 O VAL A 163 -4.439 -1.289 -1.667 1.00 0.00 O ATOM 551 CB VAL A 163 -1.620 0.334 -1.480 1.00 0.00 C ATOM 552 CG1 VAL A 163 -1.907 0.905 -0.098 1.00 0.00 C ATOM 553 CG2 VAL A 163 -0.159 0.539 -1.849 1.00 0.00 C ATOM 0 H VAL A 163 -0.333 -1.489 -2.720 1.00 0.00 H new ATOM 0 HA VAL A 163 -2.146 -1.549 -0.542 1.00 0.00 H new ATOM 0 HB VAL A 163 -2.214 0.872 -2.218 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -1.601 1.951 -0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 163 -2.974 0.833 0.111 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -1.351 0.341 0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 163 0.088 1.599 -1.782 1.00 0.00 H new ATOM 0 HG22 VAL A 163 0.472 -0.025 -1.162 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.011 0.191 -2.868 1.00 0.00 H new ATOM 563 N LYS A 164 -3.327 -1.151 -3.615 1.00 0.00 N ATOM 564 CA LYS A 164 -4.533 -1.173 -4.430 1.00 0.00 C ATOM 565 C LYS A 164 -5.321 -2.460 -4.228 1.00 0.00 C ATOM 566 O LYS A 164 -6.545 -2.436 -4.104 1.00 0.00 O ATOM 567 CB LYS A 164 -4.168 -1.001 -5.903 1.00 0.00 C ATOM 568 CG LYS A 164 -4.493 0.378 -6.451 1.00 0.00 C ATOM 569 CD LYS A 164 -4.849 0.324 -7.929 1.00 0.00 C ATOM 570 CE LYS A 164 -3.789 0.996 -8.789 1.00 0.00 C ATOM 571 NZ LYS A 164 -4.390 1.917 -9.793 1.00 0.00 N ATOM 0 H LYS A 164 -2.459 -1.086 -4.147 1.00 0.00 H new ATOM 0 HA LYS A 164 -5.168 -0.344 -4.116 1.00 0.00 H new ATOM 0 HB2 LYS A 164 -3.102 -1.192 -6.030 1.00 0.00 H new ATOM 0 HB3 LYS A 164 -4.698 -1.751 -6.490 1.00 0.00 H new ATOM 0 HG2 LYS A 164 -5.325 0.806 -5.891 1.00 0.00 H new ATOM 0 HG3 LYS A 164 -3.638 1.038 -6.306 1.00 0.00 H new ATOM 0 HD2 LYS A 164 -4.963 -0.715 -8.238 1.00 0.00 H new ATOM 0 HD3 LYS A 164 -5.811 0.812 -8.090 1.00 0.00 H new ATOM 0 HE2 LYS A 164 -3.103 1.553 -8.151 1.00 0.00 H new ATOM 0 HE3 LYS A 164 -3.201 0.235 -9.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 -3.635 2.355 -10.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 -5.025 1.382 -10.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 -4.930 2.659 -9.304 1.00 0.00 H new ATOM 585 N ARG A 165 -4.615 -3.581 -4.199 1.00 0.00 N ATOM 586 CA ARG A 165 -5.255 -4.875 -4.016 1.00 0.00 C ATOM 587 C ARG A 165 -5.689 -5.078 -2.566 1.00 0.00 C ATOM 588 O ARG A 165 -6.766 -5.615 -2.302 1.00 0.00 O ATOM 589 CB ARG A 165 -4.309 -5.994 -4.448 1.00 0.00 C ATOM 590 CG ARG A 165 -3.822 -5.846 -5.880 1.00 0.00 C ATOM 591 CD ARG A 165 -2.641 -6.761 -6.165 1.00 0.00 C ATOM 592 NE ARG A 165 -3.000 -8.171 -6.038 1.00 0.00 N ATOM 593 CZ ARG A 165 -2.296 -9.167 -6.574 1.00 0.00 C ATOM 594 NH1 ARG A 165 -1.197 -8.911 -7.273 1.00 0.00 N ATOM 595 NH2 ARG A 165 -2.693 -10.422 -6.409 1.00 0.00 N ATOM 0 H ARG A 165 -3.601 -3.621 -4.300 1.00 0.00 H new ATOM 0 HA ARG A 165 -6.148 -4.902 -4.640 1.00 0.00 H new ATOM 0 HB2 ARG A 165 -3.449 -6.013 -3.779 1.00 0.00 H new ATOM 0 HB3 ARG A 165 -4.817 -6.952 -4.341 1.00 0.00 H new ATOM 0 HG2 ARG A 165 -4.636 -6.076 -6.568 1.00 0.00 H new ATOM 0 HG3 ARG A 165 -3.534 -4.811 -6.062 1.00 0.00 H new ATOM 0 HD2 ARG A 165 -2.269 -6.571 -7.172 1.00 0.00 H new ATOM 0 HD3 ARG A 165 -1.829 -6.530 -5.476 1.00 0.00 H new ATOM 0 HE ARG A 165 -3.839 -8.407 -5.508 1.00 0.00 H new ATOM 0 HH11 ARG A 165 -0.887 -7.948 -7.402 1.00 0.00 H new ATOM 0 HH12 ARG A 165 -0.662 -9.678 -7.681 1.00 0.00 H new ATOM 0 HH21 ARG A 165 -3.537 -10.624 -5.872 1.00 0.00 H new ATOM 0 HH22 ARG A 165 -2.155 -11.185 -6.819 1.00 0.00 H new ATOM 609 N TRP A 166 -4.848 -4.650 -1.632 1.00 0.00 N ATOM 610 CA TRP A 166 -5.153 -4.791 -0.213 1.00 0.00 C ATOM 611 C TRP A 166 -6.322 -3.897 0.197 1.00 0.00 C ATOM 612 O TRP A 166 -7.202 -4.319 0.946 1.00 0.00 O ATOM 613 CB TRP A 166 -3.923 -4.458 0.632 1.00 0.00 C ATOM 614 CG TRP A 166 -4.019 -4.959 2.040 1.00 0.00 C ATOM 615 CD1 TRP A 166 -5.012 -4.693 2.937 1.00 0.00 C ATOM 616 CD2 TRP A 166 -3.087 -5.812 2.711 1.00 0.00 C ATOM 617 NE1 TRP A 166 -4.756 -5.332 4.125 1.00 0.00 N ATOM 618 CE2 TRP A 166 -3.580 -6.025 4.012 1.00 0.00 C ATOM 619 CE3 TRP A 166 -1.884 -6.419 2.338 1.00 0.00 C ATOM 620 CZ2 TRP A 166 -2.910 -6.818 4.941 1.00 0.00 C ATOM 621 CZ3 TRP A 166 -1.221 -7.205 3.262 1.00 0.00 C ATOM 622 CH2 TRP A 166 -1.735 -7.399 4.549 1.00 0.00 C ATOM 0 H TRP A 166 -3.952 -4.204 -1.830 1.00 0.00 H new ATOM 0 HA TRP A 166 -5.439 -5.828 -0.038 1.00 0.00 H new ATOM 0 HB2 TRP A 166 -3.039 -4.888 0.160 1.00 0.00 H new ATOM 0 HB3 TRP A 166 -3.783 -3.377 0.647 1.00 0.00 H new ATOM 0 HD1 TRP A 166 -5.873 -4.071 2.741 1.00 0.00 H new ATOM 0 HE1 TRP A 166 -5.346 -5.296 4.956 1.00 0.00 H new ATOM 0 HE3 TRP A 166 -1.480 -6.276 1.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 -3.304 -6.969 5.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 -0.290 -7.678 2.986 1.00 0.00 H new ATOM 0 HH2 TRP A 166 -1.193 -8.020 5.247 1.00 0.00 H new ATOM 633 N ALA A 167 -6.322 -2.661 -0.293 1.00 0.00 N ATOM 634 CA ALA A 167 -7.381 -1.713 0.029 1.00 0.00 C ATOM 635 C ALA A 167 -8.694 -2.098 -0.642 1.00 0.00 C ATOM 636 O ALA A 167 -9.746 -2.108 -0.004 1.00 0.00 O ATOM 637 CB ALA A 167 -6.970 -0.306 -0.375 1.00 0.00 C ATOM 0 H ALA A 167 -5.601 -2.294 -0.914 1.00 0.00 H new ATOM 0 HA ALA A 167 -7.538 -1.739 1.107 1.00 0.00 H new ATOM 0 HB1 ALA A 167 -7.770 0.392 -0.129 1.00 0.00 H new ATOM 0 HB2 ALA A 167 -6.064 -0.023 0.162 1.00 0.00 H new ATOM 0 HB3 ALA A 167 -6.780 -0.276 -1.448 1.00 0.00 H new ATOM 643 N GLU A 168 -8.629 -2.414 -1.931 1.00 0.00 N ATOM 644 CA GLU A 168 -9.821 -2.799 -2.678 1.00 0.00 C ATOM 645 C GLU A 168 -10.452 -4.053 -2.083 1.00 0.00 C ATOM 646 O GLU A 168 -11.674 -4.173 -2.015 1.00 0.00 O ATOM 647 CB GLU A 168 -9.479 -3.028 -4.153 1.00 0.00 C ATOM 648 CG GLU A 168 -8.671 -4.292 -4.407 1.00 0.00 C ATOM 649 CD GLU A 168 -8.249 -4.433 -5.857 1.00 0.00 C ATOM 650 OE1 GLU A 168 -8.377 -3.447 -6.613 1.00 0.00 O ATOM 651 OE2 GLU A 168 -7.789 -5.532 -6.236 1.00 0.00 O ATOM 0 H GLU A 168 -7.768 -2.411 -2.478 1.00 0.00 H new ATOM 0 HA GLU A 168 -10.542 -1.985 -2.608 1.00 0.00 H new ATOM 0 HB2 GLU A 168 -10.404 -3.078 -4.727 1.00 0.00 H new ATOM 0 HB3 GLU A 168 -8.919 -2.169 -4.524 1.00 0.00 H new ATOM 0 HG2 GLU A 168 -7.784 -4.285 -3.773 1.00 0.00 H new ATOM 0 HG3 GLU A 168 -9.262 -5.161 -4.118 1.00 0.00 H new ATOM 658 N GLU A 169 -9.606 -4.983 -1.653 1.00 0.00 N ATOM 659 CA GLU A 169 -10.075 -6.231 -1.061 1.00 0.00 C ATOM 660 C GLU A 169 -10.956 -5.966 0.157 1.00 0.00 C ATOM 661 O GLU A 169 -11.847 -6.756 0.472 1.00 0.00 O ATOM 662 CB GLU A 169 -8.885 -7.106 -0.661 1.00 0.00 C ATOM 663 CG GLU A 169 -8.320 -7.925 -1.809 1.00 0.00 C ATOM 664 CD GLU A 169 -8.695 -9.392 -1.719 1.00 0.00 C ATOM 665 OE1 GLU A 169 -8.870 -9.892 -0.588 1.00 0.00 O ATOM 666 OE2 GLU A 169 -8.813 -10.041 -2.781 1.00 0.00 O ATOM 0 H GLU A 169 -8.591 -4.896 -1.703 1.00 0.00 H new ATOM 0 HA GLU A 169 -10.672 -6.754 -1.808 1.00 0.00 H new ATOM 0 HB2 GLU A 169 -8.097 -6.471 -0.257 1.00 0.00 H new ATOM 0 HB3 GLU A 169 -9.193 -7.780 0.138 1.00 0.00 H new ATOM 0 HG2 GLU A 169 -8.682 -7.518 -2.753 1.00 0.00 H new ATOM 0 HG3 GLU A 169 -7.234 -7.831 -1.817 1.00 0.00 H new ATOM 673 N THR A 170 -10.703 -4.853 0.837 1.00 0.00 N ATOM 674 CA THR A 170 -11.474 -4.488 2.016 1.00 0.00 C ATOM 675 C THR A 170 -12.903 -4.122 1.634 1.00 0.00 C ATOM 676 O THR A 170 -13.861 -4.656 2.191 1.00 0.00 O ATOM 677 CB THR A 170 -10.808 -3.317 2.743 1.00 0.00 C ATOM 678 OG1 THR A 170 -11.162 -2.083 2.142 1.00 0.00 O ATOM 679 CG2 THR A 170 -9.297 -3.400 2.766 1.00 0.00 C ATOM 0 H THR A 170 -9.969 -4.189 0.590 1.00 0.00 H new ATOM 0 HA THR A 170 -11.505 -5.348 2.684 1.00 0.00 H new ATOM 0 HB THR A 170 -11.172 -3.376 3.769 1.00 0.00 H new ATOM 0 HG1 THR A 170 -10.627 -1.948 1.332 1.00 0.00 H new ATOM 0 HG21 THR A 170 -8.893 -2.538 3.297 1.00 0.00 H new ATOM 0 HG22 THR A 170 -8.991 -4.315 3.273 1.00 0.00 H new ATOM 0 HG23 THR A 170 -8.917 -3.407 1.744 1.00 0.00 H new ATOM 687 N ALA A 171 -13.038 -3.214 0.673 1.00 0.00 N ATOM 688 CA ALA A 171 -14.351 -2.785 0.209 1.00 0.00 C ATOM 689 C ALA A 171 -14.991 -3.855 -0.670 1.00 0.00 C ATOM 690 O ALA A 171 -16.213 -3.913 -0.807 1.00 0.00 O ATOM 691 CB ALA A 171 -14.240 -1.472 -0.549 1.00 0.00 C ATOM 0 H ALA A 171 -12.255 -2.762 0.201 1.00 0.00 H new ATOM 0 HA ALA A 171 -14.989 -2.633 1.079 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -15.228 -1.164 -0.890 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -13.828 -0.706 0.108 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -13.584 -1.603 -1.410 1.00 0.00 H new ATOM 697 N LYS A 172 -14.153 -4.702 -1.263 1.00 0.00 N ATOM 698 CA LYS A 172 -14.630 -5.773 -2.129 1.00 0.00 C ATOM 699 C LYS A 172 -15.281 -6.888 -1.314 1.00 0.00 C ATOM 700 O LYS A 172 -16.164 -7.593 -1.804 1.00 0.00 O ATOM 701 CB LYS A 172 -13.470 -6.338 -2.951 1.00 0.00 C ATOM 702 CG LYS A 172 -13.340 -5.712 -4.330 1.00 0.00 C ATOM 703 CD LYS A 172 -11.961 -5.951 -4.924 1.00 0.00 C ATOM 704 CE LYS A 172 -12.047 -6.375 -6.381 1.00 0.00 C ATOM 705 NZ LYS A 172 -12.546 -5.275 -7.252 1.00 0.00 N ATOM 0 H LYS A 172 -13.139 -4.666 -1.158 1.00 0.00 H new ATOM 0 HA LYS A 172 -15.381 -5.358 -2.802 1.00 0.00 H new ATOM 0 HB2 LYS A 172 -12.540 -6.187 -2.403 1.00 0.00 H new ATOM 0 HB3 LYS A 172 -13.604 -7.414 -3.061 1.00 0.00 H new ATOM 0 HG2 LYS A 172 -14.099 -6.128 -4.992 1.00 0.00 H new ATOM 0 HG3 LYS A 172 -13.528 -4.640 -4.263 1.00 0.00 H new ATOM 0 HD2 LYS A 172 -11.366 -5.041 -4.843 1.00 0.00 H new ATOM 0 HD3 LYS A 172 -11.445 -6.721 -4.350 1.00 0.00 H new ATOM 0 HE2 LYS A 172 -11.063 -6.692 -6.725 1.00 0.00 H new ATOM 0 HE3 LYS A 172 -12.709 -7.237 -6.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 172 -12.590 -5.605 -8.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 172 -13.496 -4.989 -6.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 172 -11.901 -4.462 -7.188 1.00 0.00 H new ATOM 719 N ALA A 173 -14.839 -7.041 -0.069 1.00 0.00 N ATOM 720 CA ALA A 173 -15.375 -8.071 0.814 1.00 0.00 C ATOM 721 C ALA A 173 -16.894 -7.971 0.923 1.00 0.00 C ATOM 722 O ALA A 173 -17.421 -7.089 1.601 1.00 0.00 O ATOM 723 CB ALA A 173 -14.738 -7.968 2.192 1.00 0.00 C ATOM 0 H ALA A 173 -14.110 -6.464 0.351 1.00 0.00 H new ATOM 0 HA ALA A 173 -15.133 -9.043 0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -15.147 -8.742 2.841 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -13.659 -8.100 2.105 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -14.950 -6.988 2.619 1.00 0.00 H new ATOM 729 N THR A 174 -17.591 -8.883 0.251 1.00 0.00 N ATOM 730 CA THR A 174 -19.051 -8.903 0.271 1.00 0.00 C ATOM 731 C THR A 174 -19.624 -7.559 -0.166 1.00 0.00 C ATOM 732 O THR A 174 -19.645 -6.600 0.607 1.00 0.00 O ATOM 733 CB THR A 174 -19.560 -9.260 1.668 1.00 0.00 C ATOM 734 OG1 THR A 174 -19.451 -8.150 2.542 1.00 0.00 O ATOM 735 CG2 THR A 174 -18.816 -10.416 2.301 1.00 0.00 C ATOM 0 H THR A 174 -17.168 -9.619 -0.315 1.00 0.00 H new ATOM 0 HA THR A 174 -19.386 -9.664 -0.434 1.00 0.00 H new ATOM 0 HB THR A 174 -20.601 -9.552 1.528 1.00 0.00 H new ATOM 0 HG1 THR A 174 -19.048 -7.395 2.064 1.00 0.00 H new ATOM 0 HG21 THR A 174 -19.228 -10.616 3.290 1.00 0.00 H new ATOM 0 HG22 THR A 174 -18.923 -11.303 1.677 1.00 0.00 H new ATOM 0 HG23 THR A 174 -17.760 -10.163 2.392 1.00 0.00 H new ATOM 743 N ALA A 175 -20.090 -7.496 -1.410 1.00 0.00 N ATOM 744 CA ALA A 175 -20.664 -6.269 -1.949 1.00 0.00 C ATOM 745 C ALA A 175 -21.917 -6.564 -2.767 1.00 0.00 C ATOM 746 O ALA A 175 -22.806 -5.689 -2.824 1.00 0.00 O ATOM 747 CB ALA A 175 -19.638 -5.535 -2.797 1.00 0.00 C ATOM 748 OXT ALA A 175 -21.998 -7.668 -3.346 1.00 0.00 O ATOM 0 H ALA A 175 -20.081 -8.280 -2.063 1.00 0.00 H new ATOM 0 HA ALA A 175 -20.949 -5.631 -1.112 1.00 0.00 H new ATOM 0 HB1 ALA A 175 -20.080 -4.621 -3.193 1.00 0.00 H new ATOM 0 HB2 ALA A 175 -18.772 -5.283 -2.184 1.00 0.00 H new ATOM 0 HB3 ALA A 175 -19.325 -6.174 -3.623 1.00 0.00 H new TER 754 ALA A 175