USER MOD reduce.3.24.130724 H: found=0, std=0, add=324, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 325 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 132 SER OG : rot 180:sc= 0 USER MOD Single : A 142 HIS : no HE2:sc= -9.11! C(o=-9.1!,f=-11!) USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 159 THR OG1 : rot -25:sc= -0.138! USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N ALA A 130 -6.510 5.959 -4.739 1.00 0.00 N ATOM 61 CA ALA A 130 -6.635 4.644 -4.122 1.00 0.00 C ATOM 62 C ALA A 130 -5.654 4.487 -2.966 1.00 0.00 C ATOM 63 O ALA A 130 -5.941 3.804 -1.983 1.00 0.00 O ATOM 64 CB ALA A 130 -6.416 3.553 -5.157 1.00 0.00 C ATOM 0 HA ALA A 130 -7.645 4.550 -3.722 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -6.512 2.577 -4.682 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -7.160 3.647 -5.948 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -5.418 3.652 -5.584 1.00 0.00 H new ATOM 70 N LEU A 131 -4.493 5.122 -3.093 1.00 0.00 N ATOM 71 CA LEU A 131 -3.468 5.053 -2.060 1.00 0.00 C ATOM 72 C LEU A 131 -3.723 6.089 -0.970 1.00 0.00 C ATOM 73 O LEU A 131 -4.641 6.903 -1.077 1.00 0.00 O ATOM 74 CB LEU A 131 -2.084 5.272 -2.674 1.00 0.00 C ATOM 75 CG LEU A 131 -1.430 4.020 -3.262 1.00 0.00 C ATOM 76 CD1 LEU A 131 -1.754 3.895 -4.743 1.00 0.00 C ATOM 77 CD2 LEU A 131 0.075 4.053 -3.044 1.00 0.00 C ATOM 0 H LEU A 131 -4.240 5.690 -3.901 1.00 0.00 H new ATOM 0 HA LEU A 131 -3.507 4.062 -1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -2.167 6.023 -3.460 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.425 5.682 -1.909 1.00 0.00 H new ATOM 0 HG LEU A 131 -1.832 3.147 -2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -1.281 2.999 -5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -2.834 3.825 -4.875 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -1.380 4.771 -5.272 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.524 3.155 -3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 131 0.494 4.933 -3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 131 0.287 4.094 -1.976 1.00 0.00 H new ATOM 89 N SER A 132 -2.906 6.053 0.078 1.00 0.00 N ATOM 90 CA SER A 132 -3.045 6.992 1.186 1.00 0.00 C ATOM 91 C SER A 132 -1.729 7.724 1.447 1.00 0.00 C ATOM 92 O SER A 132 -0.665 7.276 1.020 1.00 0.00 O ATOM 93 CB SER A 132 -3.500 6.259 2.450 1.00 0.00 C ATOM 94 OG SER A 132 -4.850 6.562 2.757 1.00 0.00 O ATOM 0 H SER A 132 -2.142 5.385 0.183 1.00 0.00 H new ATOM 0 HA SER A 132 -3.800 7.729 0.914 1.00 0.00 H new ATOM 0 HB2 SER A 132 -3.388 5.184 2.311 1.00 0.00 H new ATOM 0 HB3 SER A 132 -2.861 6.540 3.287 1.00 0.00 H new ATOM 0 HG SER A 132 -5.117 6.080 3.567 1.00 0.00 H new ATOM 100 N PRO A 133 -1.788 8.866 2.150 1.00 0.00 N ATOM 101 CA PRO A 133 -0.600 9.669 2.464 1.00 0.00 C ATOM 102 C PRO A 133 0.478 8.868 3.189 1.00 0.00 C ATOM 103 O PRO A 133 1.630 8.829 2.758 1.00 0.00 O ATOM 104 CB PRO A 133 -1.142 10.774 3.375 1.00 0.00 C ATOM 105 CG PRO A 133 -2.591 10.866 3.045 1.00 0.00 C ATOM 106 CD PRO A 133 -3.021 9.471 2.690 1.00 0.00 C ATOM 0 HA PRO A 133 -0.117 10.039 1.560 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.991 10.529 4.426 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.634 11.721 3.192 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -3.161 11.247 3.892 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -2.760 11.550 2.214 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -3.388 8.928 3.561 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.825 9.472 1.954 1.00 0.00 H new ATOM 114 N ALA A 134 0.103 8.241 4.299 1.00 0.00 N ATOM 115 CA ALA A 134 1.046 7.454 5.085 1.00 0.00 C ATOM 116 C ALA A 134 1.629 6.301 4.273 1.00 0.00 C ATOM 117 O ALA A 134 2.845 6.089 4.256 1.00 0.00 O ATOM 118 CB ALA A 134 0.370 6.925 6.342 1.00 0.00 C ATOM 0 H ALA A 134 -0.845 8.262 4.674 1.00 0.00 H new ATOM 0 HA ALA A 134 1.870 8.109 5.370 1.00 0.00 H new ATOM 0 HB1 ALA A 134 1.084 6.339 6.920 1.00 0.00 H new ATOM 0 HB2 ALA A 134 0.015 7.762 6.944 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -0.475 6.295 6.063 1.00 0.00 H new ATOM 124 N ILE A 135 0.762 5.554 3.599 1.00 0.00 N ATOM 125 CA ILE A 135 1.213 4.427 2.796 1.00 0.00 C ATOM 126 C ILE A 135 2.147 4.883 1.684 1.00 0.00 C ATOM 127 O ILE A 135 3.191 4.280 1.467 1.00 0.00 O ATOM 128 CB ILE A 135 0.042 3.635 2.181 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.753 2.923 3.278 1.00 0.00 C ATOM 130 CG2 ILE A 135 0.567 2.627 1.164 1.00 0.00 C ATOM 131 CD1 ILE A 135 -1.699 3.831 4.030 1.00 0.00 C ATOM 0 H ILE A 135 -0.246 5.707 3.593 1.00 0.00 H new ATOM 0 HA ILE A 135 1.750 3.767 3.477 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.623 4.332 1.670 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -1.324 2.109 2.831 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -0.056 2.473 3.985 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.269 2.073 0.736 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.098 3.153 0.371 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.247 1.933 1.657 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -2.227 3.256 4.791 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -1.133 4.631 4.507 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -2.420 4.261 3.335 1.00 0.00 H new ATOM 143 N ARG A 136 1.777 5.950 0.978 1.00 0.00 N ATOM 144 CA ARG A 136 2.612 6.455 -0.105 1.00 0.00 C ATOM 145 C ARG A 136 4.048 6.616 0.379 1.00 0.00 C ATOM 146 O ARG A 136 5.000 6.364 -0.361 1.00 0.00 O ATOM 147 CB ARG A 136 2.047 7.773 -0.652 1.00 0.00 C ATOM 148 CG ARG A 136 2.808 9.007 -0.208 1.00 0.00 C ATOM 149 CD ARG A 136 2.270 10.267 -0.867 1.00 0.00 C ATOM 150 NE ARG A 136 1.525 11.102 0.071 1.00 0.00 N ATOM 151 CZ ARG A 136 0.757 12.126 -0.297 1.00 0.00 C ATOM 152 NH1 ARG A 136 0.631 12.441 -1.580 1.00 0.00 N ATOM 153 NH2 ARG A 136 0.115 12.836 0.620 1.00 0.00 N ATOM 0 H ARG A 136 0.916 6.474 1.135 1.00 0.00 H new ATOM 0 HA ARG A 136 2.610 5.736 -0.924 1.00 0.00 H new ATOM 0 HB2 ARG A 136 2.048 7.732 -1.741 1.00 0.00 H new ATOM 0 HB3 ARG A 136 1.008 7.868 -0.338 1.00 0.00 H new ATOM 0 HG2 ARG A 136 2.741 9.106 0.875 1.00 0.00 H new ATOM 0 HG3 ARG A 136 3.864 8.891 -0.452 1.00 0.00 H new ATOM 0 HD2 ARG A 136 3.099 10.840 -1.283 1.00 0.00 H new ATOM 0 HD3 ARG A 136 1.623 9.992 -1.700 1.00 0.00 H new ATOM 0 HE ARG A 136 1.597 10.889 1.066 1.00 0.00 H new ATOM 0 HH11 ARG A 136 1.123 11.898 -2.289 1.00 0.00 H new ATOM 0 HH12 ARG A 136 0.042 13.226 -1.857 1.00 0.00 H new ATOM 0 HH21 ARG A 136 0.209 12.598 1.607 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -0.473 13.620 0.338 1.00 0.00 H new ATOM 167 N ARG A 137 4.191 7.001 1.641 1.00 0.00 N ATOM 168 CA ARG A 137 5.504 7.153 2.241 1.00 0.00 C ATOM 169 C ARG A 137 6.113 5.776 2.448 1.00 0.00 C ATOM 170 O ARG A 137 7.302 5.561 2.207 1.00 0.00 O ATOM 171 CB ARG A 137 5.401 7.887 3.578 1.00 0.00 C ATOM 172 CG ARG A 137 4.806 9.281 3.463 1.00 0.00 C ATOM 173 CD ARG A 137 5.875 10.357 3.567 1.00 0.00 C ATOM 174 NE ARG A 137 5.396 11.655 3.101 1.00 0.00 N ATOM 175 CZ ARG A 137 6.187 12.702 2.879 1.00 0.00 C ATOM 176 NH1 ARG A 137 7.496 12.607 3.081 1.00 0.00 N ATOM 177 NH2 ARG A 137 5.670 13.846 2.454 1.00 0.00 N ATOM 0 H ARG A 137 3.413 7.213 2.266 1.00 0.00 H new ATOM 0 HA ARG A 137 6.138 7.742 1.578 1.00 0.00 H new ATOM 0 HB2 ARG A 137 4.791 7.296 4.261 1.00 0.00 H new ATOM 0 HB3 ARG A 137 6.395 7.961 4.020 1.00 0.00 H new ATOM 0 HG2 ARG A 137 4.284 9.377 2.511 1.00 0.00 H new ATOM 0 HG3 ARG A 137 4.065 9.427 4.249 1.00 0.00 H new ATOM 0 HD2 ARG A 137 6.203 10.443 4.603 1.00 0.00 H new ATOM 0 HD3 ARG A 137 6.745 10.061 2.981 1.00 0.00 H new ATOM 0 HE ARG A 137 4.396 11.766 2.936 1.00 0.00 H new ATOM 0 HH11 ARG A 137 7.899 11.729 3.408 1.00 0.00 H new ATOM 0 HH12 ARG A 137 8.098 13.412 2.909 1.00 0.00 H new ATOM 0 HH21 ARG A 137 4.665 13.924 2.297 1.00 0.00 H new ATOM 0 HH22 ARG A 137 6.277 14.648 2.284 1.00 0.00 H new ATOM 191 N LEU A 138 5.275 4.841 2.889 1.00 0.00 N ATOM 192 CA LEU A 138 5.711 3.471 3.123 1.00 0.00 C ATOM 193 C LEU A 138 6.207 2.828 1.829 1.00 0.00 C ATOM 194 O LEU A 138 7.323 2.314 1.770 1.00 0.00 O ATOM 195 CB LEU A 138 4.565 2.639 3.703 1.00 0.00 C ATOM 196 CG LEU A 138 4.921 1.185 4.008 1.00 0.00 C ATOM 197 CD1 LEU A 138 5.886 1.108 5.180 1.00 0.00 C ATOM 198 CD2 LEU A 138 3.667 0.373 4.296 1.00 0.00 C ATOM 0 H LEU A 138 4.290 5.010 3.091 1.00 0.00 H new ATOM 0 HA LEU A 138 6.534 3.498 3.838 1.00 0.00 H new ATOM 0 HB2 LEU A 138 4.218 3.114 4.621 1.00 0.00 H new ATOM 0 HB3 LEU A 138 3.731 2.655 3.001 1.00 0.00 H new ATOM 0 HG LEU A 138 5.409 0.761 3.130 1.00 0.00 H new ATOM 0 HD11 LEU A 138 6.129 0.065 5.383 1.00 0.00 H new ATOM 0 HD12 LEU A 138 6.798 1.652 4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 138 5.424 1.552 6.062 1.00 0.00 H new ATOM 0 HD21 LEU A 138 3.943 -0.659 4.511 1.00 0.00 H new ATOM 0 HD22 LEU A 138 3.149 0.796 5.157 1.00 0.00 H new ATOM 0 HD23 LEU A 138 3.009 0.399 3.427 1.00 0.00 H new ATOM 210 N LEU A 139 5.376 2.870 0.789 1.00 0.00 N ATOM 211 CA LEU A 139 5.740 2.298 -0.501 1.00 0.00 C ATOM 212 C LEU A 139 6.992 2.971 -1.039 1.00 0.00 C ATOM 213 O LEU A 139 7.867 2.322 -1.612 1.00 0.00 O ATOM 214 CB LEU A 139 4.590 2.453 -1.498 1.00 0.00 C ATOM 215 CG LEU A 139 3.426 1.481 -1.302 1.00 0.00 C ATOM 216 CD1 LEU A 139 2.122 2.110 -1.769 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.689 0.180 -2.043 1.00 0.00 C ATOM 0 H LEU A 139 4.449 3.294 0.817 1.00 0.00 H new ATOM 0 HA LEU A 139 5.942 1.236 -0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 139 4.207 3.472 -1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 139 4.984 2.325 -2.506 1.00 0.00 H new ATOM 0 HG LEU A 139 3.337 1.258 -0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.304 1.404 -1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.928 3.015 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 139 2.198 2.362 -2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.851 -0.500 -1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.804 0.384 -3.107 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.601 -0.278 -1.661 1.00 0.00 H new ATOM 229 N ALA A 140 7.072 4.280 -0.836 1.00 0.00 N ATOM 230 CA ALA A 140 8.223 5.050 -1.288 1.00 0.00 C ATOM 231 C ALA A 140 9.491 4.584 -0.582 1.00 0.00 C ATOM 232 O ALA A 140 10.576 4.581 -1.164 1.00 0.00 O ATOM 233 CB ALA A 140 7.996 6.535 -1.047 1.00 0.00 C ATOM 0 H ALA A 140 6.355 4.829 -0.362 1.00 0.00 H new ATOM 0 HA ALA A 140 8.346 4.887 -2.359 1.00 0.00 H new ATOM 0 HB1 ALA A 140 8.865 7.096 -1.390 1.00 0.00 H new ATOM 0 HB2 ALA A 140 7.113 6.862 -1.596 1.00 0.00 H new ATOM 0 HB3 ALA A 140 7.847 6.712 0.018 1.00 0.00 H new ATOM 239 N GLU A 141 9.342 4.185 0.678 1.00 0.00 N ATOM 240 CA GLU A 141 10.467 3.710 1.470 1.00 0.00 C ATOM 241 C GLU A 141 10.853 2.293 1.068 1.00 0.00 C ATOM 242 O GLU A 141 12.027 1.993 0.851 1.00 0.00 O ATOM 243 CB GLU A 141 10.123 3.753 2.960 1.00 0.00 C ATOM 244 CG GLU A 141 9.983 5.162 3.513 1.00 0.00 C ATOM 245 CD GLU A 141 10.835 5.394 4.745 1.00 0.00 C ATOM 246 OE1 GLU A 141 12.054 5.619 4.591 1.00 0.00 O ATOM 247 OE2 GLU A 141 10.283 5.350 5.866 1.00 0.00 O ATOM 0 H GLU A 141 8.449 4.182 1.172 1.00 0.00 H new ATOM 0 HA GLU A 141 11.316 4.367 1.281 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.191 3.213 3.125 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.898 3.228 3.518 1.00 0.00 H new ATOM 0 HG2 GLU A 141 10.263 5.880 2.742 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.938 5.349 3.759 1.00 0.00 H new ATOM 254 N HIS A 142 9.853 1.427 0.968 1.00 0.00 N ATOM 255 CA HIS A 142 10.075 0.037 0.589 1.00 0.00 C ATOM 256 C HIS A 142 10.487 -0.073 -0.878 1.00 0.00 C ATOM 257 O HIS A 142 11.012 -1.099 -1.309 1.00 0.00 O ATOM 258 CB HIS A 142 8.811 -0.790 0.837 1.00 0.00 C ATOM 259 CG HIS A 142 8.540 -1.058 2.286 1.00 0.00 C ATOM 260 ND1 HIS A 142 8.984 -2.188 2.941 1.00 0.00 N ATOM 261 CD2 HIS A 142 7.857 -0.339 3.208 1.00 0.00 C ATOM 262 CE1 HIS A 142 8.585 -2.151 4.199 1.00 0.00 C ATOM 263 NE2 HIS A 142 7.901 -1.039 4.387 1.00 0.00 N ATOM 0 H HIS A 142 8.877 1.664 1.145 1.00 0.00 H new ATOM 0 HA HIS A 142 10.885 -0.353 1.205 1.00 0.00 H new ATOM 0 HB2 HIS A 142 7.956 -0.268 0.407 1.00 0.00 H new ATOM 0 HB3 HIS A 142 8.901 -1.741 0.312 1.00 0.00 H new ATOM 0 HD1 HIS A 142 9.535 -2.936 2.519 1.00 0.00 H new ATOM 0 HD2 HIS A 142 7.368 0.610 3.045 1.00 0.00 H new ATOM 0 HE1 HIS A 142 8.785 -2.904 4.947 1.00 0.00 H new ATOM 272 N ASN A 143 10.242 0.989 -1.644 1.00 0.00 N ATOM 273 CA ASN A 143 10.585 1.009 -3.062 1.00 0.00 C ATOM 274 C ASN A 143 9.694 0.049 -3.846 1.00 0.00 C ATOM 275 O ASN A 143 10.149 -0.621 -4.773 1.00 0.00 O ATOM 276 CB ASN A 143 12.062 0.648 -3.262 1.00 0.00 C ATOM 277 CG ASN A 143 12.869 1.803 -3.822 1.00 0.00 C ATOM 278 OD1 ASN A 143 13.125 1.872 -5.023 1.00 0.00 O ATOM 279 ND2 ASN A 143 13.274 2.719 -2.949 1.00 0.00 N ATOM 0 H ASN A 143 9.807 1.847 -1.304 1.00 0.00 H new ATOM 0 HA ASN A 143 10.419 2.018 -3.439 1.00 0.00 H new ATOM 0 HB2 ASN A 143 12.490 0.338 -2.309 1.00 0.00 H new ATOM 0 HB3 ASN A 143 12.137 -0.205 -3.937 1.00 0.00 H new ATOM 0 HD21 ASN A 143 13.820 3.520 -3.266 1.00 0.00 H new ATOM 0 HD22 ASN A 143 13.039 2.622 -1.961 1.00 0.00 H new ATOM 286 N LEU A 144 8.423 -0.011 -3.464 1.00 0.00 N ATOM 287 CA LEU A 144 7.465 -0.887 -4.127 1.00 0.00 C ATOM 288 C LEU A 144 6.566 -0.098 -5.071 1.00 0.00 C ATOM 289 O LEU A 144 6.685 1.121 -5.187 1.00 0.00 O ATOM 290 CB LEU A 144 6.610 -1.623 -3.095 1.00 0.00 C ATOM 291 CG LEU A 144 7.375 -2.153 -1.883 1.00 0.00 C ATOM 292 CD1 LEU A 144 6.409 -2.594 -0.792 1.00 0.00 C ATOM 293 CD2 LEU A 144 8.287 -3.300 -2.291 1.00 0.00 C ATOM 0 H LEU A 144 8.032 0.537 -2.698 1.00 0.00 H new ATOM 0 HA LEU A 144 8.028 -1.616 -4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.828 -0.949 -2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 144 6.113 -2.460 -3.587 1.00 0.00 H new ATOM 0 HG LEU A 144 7.993 -1.348 -1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 144 6.972 -2.968 0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.799 -1.746 -0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.763 -3.384 -1.175 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.825 -3.666 -1.416 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.689 -4.107 -2.714 1.00 0.00 H new ATOM 0 HD23 LEU A 144 9.002 -2.949 -3.036 1.00 0.00 H new ATOM 305 N ASP A 145 5.666 -0.806 -5.743 1.00 0.00 N ATOM 306 CA ASP A 145 4.739 -0.179 -6.679 1.00 0.00 C ATOM 307 C ASP A 145 3.294 -0.449 -6.274 1.00 0.00 C ATOM 308 O ASP A 145 2.903 -1.596 -6.063 1.00 0.00 O ATOM 309 CB ASP A 145 4.989 -0.692 -8.097 1.00 0.00 C ATOM 310 CG ASP A 145 4.233 0.105 -9.142 1.00 0.00 C ATOM 311 OD1 ASP A 145 4.204 1.349 -9.034 1.00 0.00 O ATOM 312 OD2 ASP A 145 3.670 -0.516 -10.068 1.00 0.00 O ATOM 0 H ASP A 145 5.558 -1.817 -5.657 1.00 0.00 H new ATOM 0 HA ASP A 145 4.909 0.897 -6.656 1.00 0.00 H new ATOM 0 HB2 ASP A 145 6.056 -0.649 -8.313 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.693 -1.739 -8.159 1.00 0.00 H new ATOM 317 N ALA A 146 2.506 0.616 -6.165 1.00 0.00 N ATOM 318 CA ALA A 146 1.103 0.493 -5.784 1.00 0.00 C ATOM 319 C ALA A 146 0.347 -0.407 -6.755 1.00 0.00 C ATOM 320 O ALA A 146 -0.461 -1.240 -6.344 1.00 0.00 O ATOM 321 CB ALA A 146 0.453 1.867 -5.718 1.00 0.00 C ATOM 0 H ALA A 146 2.815 1.573 -6.335 1.00 0.00 H new ATOM 0 HA ALA A 146 1.058 0.034 -4.796 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -0.594 1.761 -5.433 1.00 0.00 H new ATOM 0 HB2 ALA A 146 0.970 2.479 -4.979 1.00 0.00 H new ATOM 0 HB3 ALA A 146 0.516 2.347 -6.695 1.00 0.00 H new ATOM 327 N SER A 147 0.615 -0.234 -8.045 1.00 0.00 N ATOM 328 CA SER A 147 -0.040 -1.032 -9.076 1.00 0.00 C ATOM 329 C SER A 147 0.272 -2.516 -8.900 1.00 0.00 C ATOM 330 O SER A 147 -0.508 -3.375 -9.310 1.00 0.00 O ATOM 331 CB SER A 147 0.399 -0.568 -10.465 1.00 0.00 C ATOM 332 OG SER A 147 -0.265 0.627 -10.837 1.00 0.00 O ATOM 0 H SER A 147 1.281 0.451 -8.402 1.00 0.00 H new ATOM 0 HA SER A 147 -1.117 -0.893 -8.977 1.00 0.00 H new ATOM 0 HB2 SER A 147 1.477 -0.407 -10.474 1.00 0.00 H new ATOM 0 HB3 SER A 147 0.187 -1.348 -11.196 1.00 0.00 H new ATOM 0 HG SER A 147 0.034 0.904 -11.728 1.00 0.00 H new ATOM 338 N ALA A 148 1.416 -2.809 -8.288 1.00 0.00 N ATOM 339 CA ALA A 148 1.828 -4.190 -8.061 1.00 0.00 C ATOM 340 C ALA A 148 1.252 -4.741 -6.757 1.00 0.00 C ATOM 341 O ALA A 148 1.587 -5.852 -6.344 1.00 0.00 O ATOM 342 CB ALA A 148 3.345 -4.291 -8.053 1.00 0.00 C ATOM 0 H ALA A 148 2.073 -2.110 -7.941 1.00 0.00 H new ATOM 0 HA ALA A 148 1.434 -4.794 -8.878 1.00 0.00 H new ATOM 0 HB1 ALA A 148 3.640 -5.326 -7.883 1.00 0.00 H new ATOM 0 HB2 ALA A 148 3.737 -3.955 -9.013 1.00 0.00 H new ATOM 0 HB3 ALA A 148 3.747 -3.664 -7.257 1.00 0.00 H new ATOM 348 N ILE A 149 0.387 -3.964 -6.109 1.00 0.00 N ATOM 349 CA ILE A 149 -0.227 -4.385 -4.856 1.00 0.00 C ATOM 350 C ILE A 149 -1.730 -4.129 -4.869 1.00 0.00 C ATOM 351 O ILE A 149 -2.224 -3.313 -5.647 1.00 0.00 O ATOM 352 CB ILE A 149 0.395 -3.656 -3.649 1.00 0.00 C ATOM 353 CG1 ILE A 149 1.922 -3.672 -3.745 1.00 0.00 C ATOM 354 CG2 ILE A 149 -0.067 -4.296 -2.347 1.00 0.00 C ATOM 355 CD1 ILE A 149 2.605 -2.899 -2.638 1.00 0.00 C ATOM 0 H ILE A 149 0.097 -3.041 -6.432 1.00 0.00 H new ATOM 0 HA ILE A 149 -0.042 -5.455 -4.758 1.00 0.00 H new ATOM 0 HB ILE A 149 0.061 -2.618 -3.660 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.269 -4.705 -3.723 1.00 0.00 H new ATOM 0 HG13 ILE A 149 2.222 -3.256 -4.707 1.00 0.00 H new ATOM 0 HG21 ILE A 149 0.381 -3.770 -1.504 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -1.153 -4.235 -2.277 1.00 0.00 H new ATOM 0 HG23 ILE A 149 0.240 -5.342 -2.327 1.00 0.00 H new ATOM 0 HD11 ILE A 149 3.686 -2.953 -2.769 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.287 -1.857 -2.672 1.00 0.00 H new ATOM 0 HD13 ILE A 149 2.335 -3.329 -1.674 1.00 0.00 H new ATOM 367 N LYS A 150 -2.451 -4.830 -4.002 1.00 0.00 N ATOM 368 CA LYS A 150 -3.899 -4.676 -3.913 1.00 0.00 C ATOM 369 C LYS A 150 -4.297 -4.027 -2.592 1.00 0.00 C ATOM 370 O LYS A 150 -3.760 -4.366 -1.536 1.00 0.00 O ATOM 371 CB LYS A 150 -4.588 -6.035 -4.055 1.00 0.00 C ATOM 372 CG LYS A 150 -5.062 -6.331 -5.469 1.00 0.00 C ATOM 373 CD LYS A 150 -3.918 -6.793 -6.356 1.00 0.00 C ATOM 374 CE LYS A 150 -4.043 -6.233 -7.764 1.00 0.00 C ATOM 375 NZ LYS A 150 -2.722 -6.144 -8.446 1.00 0.00 N ATOM 0 H LYS A 150 -2.058 -5.510 -3.351 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.220 -4.027 -4.727 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -3.898 -6.818 -3.741 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -5.442 -6.073 -3.379 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -5.835 -7.099 -5.441 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -5.516 -5.437 -5.896 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -2.969 -6.478 -5.921 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.905 -7.882 -6.396 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -4.711 -6.866 -8.348 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -4.497 -5.243 -7.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -2.851 -5.758 -9.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -2.092 -5.520 -7.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -2.299 -7.092 -8.509 1.00 0.00 H new ATOM 389 N GLY A 151 -5.240 -3.095 -2.658 1.00 0.00 N ATOM 390 CA GLY A 151 -5.694 -2.414 -1.461 1.00 0.00 C ATOM 391 C GLY A 151 -7.085 -2.850 -1.041 1.00 0.00 C ATOM 392 O GLY A 151 -7.916 -3.188 -1.885 1.00 0.00 O ATOM 0 H GLY A 151 -5.698 -2.799 -3.520 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.994 -2.608 -0.648 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.690 -1.338 -1.635 1.00 0.00 H new ATOM 396 N THR A 152 -7.339 -2.848 0.264 1.00 0.00 N ATOM 397 CA THR A 152 -8.640 -3.250 0.788 1.00 0.00 C ATOM 398 C THR A 152 -9.132 -2.272 1.850 1.00 0.00 C ATOM 399 O THR A 152 -9.772 -2.670 2.825 1.00 0.00 O ATOM 400 CB THR A 152 -8.560 -4.660 1.375 1.00 0.00 C ATOM 401 OG1 THR A 152 -7.472 -4.767 2.277 1.00 0.00 O ATOM 402 CG2 THR A 152 -8.393 -5.737 0.325 1.00 0.00 C ATOM 0 H THR A 152 -6.663 -2.573 0.977 1.00 0.00 H new ATOM 0 HA THR A 152 -9.352 -3.244 -0.038 1.00 0.00 H new ATOM 0 HB THR A 152 -9.512 -4.815 1.883 1.00 0.00 H new ATOM 0 HG1 THR A 152 -7.439 -5.676 2.643 1.00 0.00 H new ATOM 0 HG21 THR A 152 -8.343 -6.712 0.809 1.00 0.00 H new ATOM 0 HG22 THR A 152 -9.242 -5.714 -0.358 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.473 -5.562 -0.233 1.00 0.00 H new ATOM 410 N GLY A 153 -8.834 -0.992 1.656 1.00 0.00 N ATOM 411 CA GLY A 153 -9.257 0.021 2.605 1.00 0.00 C ATOM 412 C GLY A 153 -10.766 0.138 2.692 1.00 0.00 C ATOM 413 O GLY A 153 -11.457 -0.847 2.954 1.00 0.00 O ATOM 0 H GLY A 153 -8.307 -0.638 0.858 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -8.857 -0.218 3.590 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.837 0.984 2.315 1.00 0.00 H new ATOM 417 N VAL A 154 -11.277 1.345 2.473 1.00 0.00 N ATOM 418 CA VAL A 154 -12.714 1.587 2.528 1.00 0.00 C ATOM 419 C VAL A 154 -13.281 1.843 1.135 1.00 0.00 C ATOM 420 O VAL A 154 -13.478 2.990 0.736 1.00 0.00 O ATOM 421 CB VAL A 154 -13.048 2.787 3.434 1.00 0.00 C ATOM 422 CG1 VAL A 154 -14.552 2.906 3.633 1.00 0.00 C ATOM 423 CG2 VAL A 154 -12.335 2.660 4.772 1.00 0.00 C ATOM 0 H VAL A 154 -10.718 2.170 2.256 1.00 0.00 H new ATOM 0 HA VAL A 154 -13.170 0.689 2.945 1.00 0.00 H new ATOM 0 HB VAL A 154 -12.697 3.696 2.945 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -14.768 3.759 4.276 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -15.037 3.048 2.667 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -14.930 1.996 4.099 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -12.583 3.517 5.399 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -12.653 1.743 5.268 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -11.258 2.629 4.609 1.00 0.00 H new ATOM 433 N GLY A 155 -13.541 0.766 0.400 1.00 0.00 N ATOM 434 CA GLY A 155 -14.082 0.895 -0.940 1.00 0.00 C ATOM 435 C GLY A 155 -13.108 0.431 -2.007 1.00 0.00 C ATOM 436 O GLY A 155 -13.518 0.012 -3.089 1.00 0.00 O ATOM 0 H GLY A 155 -13.386 -0.194 0.709 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -15.001 0.314 -1.015 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -14.347 1.936 -1.123 1.00 0.00 H new ATOM 440 N GLY A 156 -11.817 0.505 -1.701 1.00 0.00 N ATOM 441 CA GLY A 156 -10.804 0.085 -2.651 1.00 0.00 C ATOM 442 C GLY A 156 -9.517 0.873 -2.510 1.00 0.00 C ATOM 443 O GLY A 156 -8.954 1.339 -3.500 1.00 0.00 O ATOM 0 H GLY A 156 -11.454 0.848 -0.812 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -10.595 -0.975 -2.510 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -11.189 0.202 -3.664 1.00 0.00 H new ATOM 447 N ARG A 157 -9.050 1.022 -1.274 1.00 0.00 N ATOM 448 CA ARG A 157 -7.819 1.760 -1.004 1.00 0.00 C ATOM 449 C ARG A 157 -6.745 0.834 -0.445 1.00 0.00 C ATOM 450 O ARG A 157 -7.028 -0.300 -0.064 1.00 0.00 O ATOM 451 CB ARG A 157 -8.080 2.905 -0.019 1.00 0.00 C ATOM 452 CG ARG A 157 -9.509 3.427 -0.042 1.00 0.00 C ATOM 453 CD ARG A 157 -9.624 4.765 0.669 1.00 0.00 C ATOM 454 NE ARG A 157 -11.015 5.122 0.937 1.00 0.00 N ATOM 455 CZ ARG A 157 -11.395 6.286 1.461 1.00 0.00 C ATOM 456 NH1 ARG A 157 -10.491 7.206 1.776 1.00 0.00 N ATOM 457 NH2 ARG A 157 -12.681 6.530 1.673 1.00 0.00 N ATOM 0 H ARG A 157 -9.505 0.642 -0.444 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.466 2.178 -1.947 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -7.845 2.564 0.989 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -7.400 3.727 -0.244 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -9.842 3.532 -1.074 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -10.170 2.703 0.434 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -9.072 4.726 1.608 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -9.161 5.541 0.059 1.00 0.00 H new ATOM 0 HE ARG A 157 -11.738 4.439 0.709 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -9.500 7.023 1.617 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -10.787 8.096 2.177 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -13.380 5.826 1.435 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -12.972 7.422 2.074 1.00 0.00 H new ATOM 471 N LEU A 158 -5.511 1.325 -0.396 1.00 0.00 N ATOM 472 CA LEU A 158 -4.398 0.540 0.121 1.00 0.00 C ATOM 473 C LEU A 158 -4.044 0.977 1.540 1.00 0.00 C ATOM 474 O LEU A 158 -4.107 2.162 1.865 1.00 0.00 O ATOM 475 CB LEU A 158 -3.180 0.681 -0.798 1.00 0.00 C ATOM 476 CG LEU A 158 -2.090 -0.384 -0.631 1.00 0.00 C ATOM 477 CD1 LEU A 158 -2.694 -1.773 -0.487 1.00 0.00 C ATOM 478 CD2 LEU A 158 -1.140 -0.348 -1.815 1.00 0.00 C ATOM 0 H LEU A 158 -5.257 2.262 -0.708 1.00 0.00 H new ATOM 0 HA LEU A 158 -4.698 -0.507 0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -3.525 0.662 -1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -2.733 1.661 -0.629 1.00 0.00 H new ATOM 0 HG LEU A 158 -1.536 -0.161 0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -1.896 -2.506 -0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -3.342 -1.799 0.389 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -3.277 -2.010 -1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -0.370 -1.108 -1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -1.695 -0.545 -2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -0.673 0.635 -1.877 1.00 0.00 H new ATOM 490 N THR A 159 -3.686 0.013 2.384 1.00 0.00 N ATOM 491 CA THR A 159 -3.338 0.308 3.771 1.00 0.00 C ATOM 492 C THR A 159 -1.963 -0.244 4.131 1.00 0.00 C ATOM 493 O THR A 159 -1.441 -1.139 3.460 1.00 0.00 O ATOM 494 CB THR A 159 -4.390 -0.280 4.712 1.00 0.00 C ATOM 495 OG1 THR A 159 -4.930 -1.475 4.177 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.541 0.661 4.988 1.00 0.00 C ATOM 0 H THR A 159 -3.629 -0.974 2.134 1.00 0.00 H new ATOM 0 HA THR A 159 -3.310 1.392 3.883 1.00 0.00 H new ATOM 0 HB THR A 159 -3.865 -0.468 5.648 1.00 0.00 H new ATOM 0 HG1 THR A 159 -4.845 -1.464 3.201 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.250 0.181 5.662 1.00 0.00 H new ATOM 0 HG22 THR A 159 -5.163 1.573 5.449 1.00 0.00 H new ATOM 0 HG23 THR A 159 -6.041 0.908 4.052 1.00 0.00 H new ATOM 504 N ARG A 160 -1.386 0.287 5.206 1.00 0.00 N ATOM 505 CA ARG A 160 -0.077 -0.158 5.668 1.00 0.00 C ATOM 506 C ARG A 160 -0.090 -1.662 5.907 1.00 0.00 C ATOM 507 O ARG A 160 0.911 -2.346 5.691 1.00 0.00 O ATOM 508 CB ARG A 160 0.314 0.573 6.954 1.00 0.00 C ATOM 509 CG ARG A 160 0.043 2.070 6.911 1.00 0.00 C ATOM 510 CD ARG A 160 1.315 2.880 7.118 1.00 0.00 C ATOM 511 NE ARG A 160 1.134 3.941 8.105 1.00 0.00 N ATOM 512 CZ ARG A 160 2.106 4.760 8.499 1.00 0.00 C ATOM 513 NH1 ARG A 160 3.327 4.644 7.993 1.00 0.00 N ATOM 514 NH2 ARG A 160 1.856 5.699 9.402 1.00 0.00 N ATOM 0 H ARG A 160 -1.805 1.025 5.772 1.00 0.00 H new ATOM 0 HA ARG A 160 0.659 0.073 4.898 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -0.233 0.137 7.790 1.00 0.00 H new ATOM 0 HB3 ARG A 160 1.374 0.410 7.147 1.00 0.00 H new ATOM 0 HG2 ARG A 160 -0.402 2.331 5.951 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -0.683 2.330 7.681 1.00 0.00 H new ATOM 0 HD2 ARG A 160 2.118 2.218 7.441 1.00 0.00 H new ATOM 0 HD3 ARG A 160 1.625 3.317 6.169 1.00 0.00 H new ATOM 0 HE ARG A 160 0.208 4.061 8.516 1.00 0.00 H new ATOM 0 HH11 ARG A 160 3.525 3.924 7.298 1.00 0.00 H new ATOM 0 HH12 ARG A 160 4.068 5.275 8.299 1.00 0.00 H new ATOM 0 HH21 ARG A 160 0.919 5.793 9.794 1.00 0.00 H new ATOM 0 HH22 ARG A 160 2.601 6.327 9.704 1.00 0.00 H new ATOM 528 N GLU A 161 -1.238 -2.172 6.339 1.00 0.00 N ATOM 529 CA GLU A 161 -1.390 -3.597 6.588 1.00 0.00 C ATOM 530 C GLU A 161 -1.267 -4.367 5.279 1.00 0.00 C ATOM 531 O GLU A 161 -0.693 -5.455 5.234 1.00 0.00 O ATOM 532 CB GLU A 161 -2.743 -3.886 7.242 1.00 0.00 C ATOM 533 CG GLU A 161 -2.888 -5.316 7.736 1.00 0.00 C ATOM 534 CD GLU A 161 -4.283 -5.619 8.245 1.00 0.00 C ATOM 535 OE1 GLU A 161 -4.988 -4.669 8.646 1.00 0.00 O ATOM 536 OE2 GLU A 161 -4.672 -6.806 8.244 1.00 0.00 O ATOM 0 H GLU A 161 -2.075 -1.619 6.523 1.00 0.00 H new ATOM 0 HA GLU A 161 -0.602 -3.919 7.268 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -2.884 -3.205 8.081 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -3.536 -3.676 6.524 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -2.644 -6.003 6.926 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -2.167 -5.496 8.534 1.00 0.00 H new ATOM 543 N ASP A 162 -1.800 -3.780 4.211 1.00 0.00 N ATOM 544 CA ASP A 162 -1.742 -4.395 2.894 1.00 0.00 C ATOM 545 C ASP A 162 -0.297 -4.494 2.424 1.00 0.00 C ATOM 546 O ASP A 162 0.139 -5.536 1.934 1.00 0.00 O ATOM 547 CB ASP A 162 -2.567 -3.586 1.892 1.00 0.00 C ATOM 548 CG ASP A 162 -4.053 -3.635 2.193 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.522 -4.677 2.695 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.745 -2.631 1.927 1.00 0.00 O ATOM 0 H ASP A 162 -2.277 -2.879 4.235 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.161 -5.399 2.960 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -2.231 -2.549 1.902 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -2.390 -3.969 0.887 1.00 0.00 H new ATOM 555 N VAL A 163 0.446 -3.403 2.587 1.00 0.00 N ATOM 556 CA VAL A 163 1.848 -3.371 2.189 1.00 0.00 C ATOM 557 C VAL A 163 2.647 -4.417 2.957 1.00 0.00 C ATOM 558 O VAL A 163 3.531 -5.071 2.403 1.00 0.00 O ATOM 559 CB VAL A 163 2.476 -1.985 2.430 1.00 0.00 C ATOM 560 CG1 VAL A 163 3.896 -1.937 1.884 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.623 -0.892 1.804 1.00 0.00 C ATOM 0 H VAL A 163 0.101 -2.532 2.991 1.00 0.00 H new ATOM 0 HA VAL A 163 1.882 -3.590 1.122 1.00 0.00 H new ATOM 0 HB VAL A 163 2.517 -1.811 3.505 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.322 -0.950 2.064 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.504 -2.691 2.384 1.00 0.00 H new ATOM 0 HG13 VAL A 163 3.881 -2.136 0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 163 2.084 0.079 1.986 1.00 0.00 H new ATOM 0 HG22 VAL A 163 1.545 -1.061 0.730 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.627 -0.909 2.247 1.00 0.00 H new ATOM 571 N GLU A 164 2.326 -4.573 4.239 1.00 0.00 N ATOM 572 CA GLU A 164 3.011 -5.542 5.085 1.00 0.00 C ATOM 573 C GLU A 164 2.806 -6.959 4.560 1.00 0.00 C ATOM 574 O GLU A 164 3.760 -7.724 4.423 1.00 0.00 O ATOM 575 CB GLU A 164 2.505 -5.440 6.525 1.00 0.00 C ATOM 576 CG GLU A 164 3.270 -4.434 7.369 1.00 0.00 C ATOM 577 CD GLU A 164 3.247 -4.774 8.846 1.00 0.00 C ATOM 578 OE1 GLU A 164 3.195 -5.978 9.176 1.00 0.00 O ATOM 579 OE2 GLU A 164 3.283 -3.838 9.673 1.00 0.00 O ATOM 0 H GLU A 164 1.596 -4.041 4.713 1.00 0.00 H new ATOM 0 HA GLU A 164 4.077 -5.317 5.066 1.00 0.00 H new ATOM 0 HB2 GLU A 164 1.451 -5.164 6.512 1.00 0.00 H new ATOM 0 HB3 GLU A 164 2.572 -6.421 6.995 1.00 0.00 H new ATOM 0 HG2 GLU A 164 4.304 -4.390 7.026 1.00 0.00 H new ATOM 0 HG3 GLU A 164 2.843 -3.442 7.222 1.00 0.00 H new ATOM 586 N LYS A 165 1.555 -7.301 4.264 1.00 0.00 N ATOM 587 CA LYS A 165 1.229 -8.627 3.751 1.00 0.00 C ATOM 588 C LYS A 165 1.960 -8.895 2.440 1.00 0.00 C ATOM 589 O LYS A 165 2.446 -10.000 2.203 1.00 0.00 O ATOM 590 CB LYS A 165 -0.282 -8.761 3.541 1.00 0.00 C ATOM 591 CG LYS A 165 -1.089 -8.657 4.826 1.00 0.00 C ATOM 592 CD LYS A 165 -0.554 -9.588 5.902 1.00 0.00 C ATOM 593 CE LYS A 165 -1.657 -10.044 6.844 1.00 0.00 C ATOM 594 NZ LYS A 165 -1.141 -10.314 8.214 1.00 0.00 N ATOM 0 H LYS A 165 0.753 -6.680 4.370 1.00 0.00 H new ATOM 0 HA LYS A 165 1.553 -9.363 4.487 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.614 -7.986 2.850 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.491 -9.721 3.068 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.065 -7.629 5.189 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -2.132 -8.898 4.621 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -0.091 -10.457 5.435 1.00 0.00 H new ATOM 0 HD3 LYS A 165 0.224 -9.079 6.471 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -2.432 -9.279 6.892 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -2.123 -10.946 6.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -1.924 -10.622 8.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -0.419 -11.062 8.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -0.719 -9.447 8.603 1.00 0.00 H new ATOM 608 N TRP A 166 2.036 -7.874 1.592 1.00 0.00 N ATOM 609 CA TRP A 166 2.710 -7.998 0.305 1.00 0.00 C ATOM 610 C TRP A 166 4.218 -8.126 0.493 1.00 0.00 C ATOM 611 O TRP A 166 4.867 -8.951 -0.149 1.00 0.00 O ATOM 612 CB TRP A 166 2.397 -6.786 -0.575 1.00 0.00 C ATOM 613 CG TRP A 166 3.018 -6.862 -1.937 1.00 0.00 C ATOM 614 CD1 TRP A 166 4.203 -6.305 -2.328 1.00 0.00 C ATOM 615 CD2 TRP A 166 2.489 -7.532 -3.086 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.442 -6.589 -3.651 1.00 0.00 N ATOM 617 CE2 TRP A 166 3.405 -7.342 -4.138 1.00 0.00 C ATOM 618 CE3 TRP A 166 1.331 -8.277 -3.327 1.00 0.00 C ATOM 619 CZ2 TRP A 166 3.196 -7.868 -5.411 1.00 0.00 C ATOM 620 CZ3 TRP A 166 1.126 -8.799 -4.590 1.00 0.00 C ATOM 621 CH2 TRP A 166 2.055 -8.592 -5.618 1.00 0.00 C ATOM 0 H TRP A 166 1.639 -6.952 1.773 1.00 0.00 H new ATOM 0 HA TRP A 166 2.344 -8.900 -0.185 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.316 -6.693 -0.681 1.00 0.00 H new ATOM 0 HB3 TRP A 166 2.747 -5.883 -0.074 1.00 0.00 H new ATOM 0 HD1 TRP A 166 4.856 -5.727 -1.691 1.00 0.00 H new ATOM 0 HE1 TRP A 166 5.258 -6.288 -4.184 1.00 0.00 H new ATOM 0 HE3 TRP A 166 0.610 -8.442 -2.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 3.910 -7.709 -6.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 0.235 -9.376 -4.788 1.00 0.00 H new ATOM 0 HH2 TRP A 166 1.866 -9.013 -6.594 1.00 0.00 H new ATOM 632 N LEU A 167 4.768 -7.300 1.376 1.00 0.00 N ATOM 633 CA LEU A 167 6.200 -7.316 1.649 1.00 0.00 C ATOM 634 C LEU A 167 6.636 -8.665 2.213 1.00 0.00 C ATOM 635 O LEU A 167 7.720 -9.158 1.904 1.00 0.00 O ATOM 636 CB LEU A 167 6.562 -6.202 2.630 1.00 0.00 C ATOM 637 CG LEU A 167 6.646 -4.803 2.018 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.317 -3.745 3.059 1.00 0.00 C ATOM 639 CD2 LEU A 167 8.029 -4.563 1.430 1.00 0.00 C ATOM 0 H LEU A 167 4.244 -6.611 1.915 1.00 0.00 H new ATOM 0 HA LEU A 167 6.725 -7.152 0.708 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.822 -6.188 3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 167 7.522 -6.440 3.088 1.00 0.00 H new ATOM 0 HG LEU A 167 5.913 -4.733 1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.382 -2.756 2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.307 -3.906 3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 167 7.026 -3.813 3.884 1.00 0.00 H new ATOM 0 HD21 LEU A 167 8.072 -3.563 0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.779 -4.652 2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 167 8.228 -5.302 0.654 1.00 0.00 H new ATOM 651 N ALA A 168 5.785 -9.253 3.047 1.00 0.00 N ATOM 652 CA ALA A 168 6.083 -10.541 3.661 1.00 0.00 C ATOM 653 C ALA A 168 5.713 -11.698 2.740 1.00 0.00 C ATOM 654 O ALA A 168 6.385 -12.730 2.723 1.00 0.00 O ATOM 655 CB ALA A 168 5.355 -10.670 4.990 1.00 0.00 C ATOM 0 H ALA A 168 4.883 -8.858 3.313 1.00 0.00 H new ATOM 0 HA ALA A 168 7.158 -10.587 3.837 1.00 0.00 H new ATOM 0 HB1 ALA A 168 5.586 -11.636 5.439 1.00 0.00 H new ATOM 0 HB2 ALA A 168 5.677 -9.873 5.660 1.00 0.00 H new ATOM 0 HB3 ALA A 168 4.280 -10.594 4.825 1.00 0.00 H new ATOM 661 N LYS A 169 4.640 -11.525 1.977 1.00 0.00 N ATOM 662 CA LYS A 169 4.182 -12.559 1.057 1.00 0.00 C ATOM 663 C LYS A 169 4.472 -12.177 -0.390 1.00 0.00 C ATOM 664 O LYS A 169 5.310 -12.790 -1.050 1.00 0.00 O ATOM 665 CB LYS A 169 2.684 -12.811 1.242 1.00 0.00 C ATOM 666 CG LYS A 169 2.181 -14.049 0.516 1.00 0.00 C ATOM 667 CD LYS A 169 1.205 -14.840 1.373 1.00 0.00 C ATOM 668 CE LYS A 169 1.363 -16.337 1.157 1.00 0.00 C ATOM 669 NZ LYS A 169 0.873 -16.760 -0.184 1.00 0.00 N ATOM 0 H LYS A 169 4.071 -10.678 1.977 1.00 0.00 H new ATOM 0 HA LYS A 169 4.728 -13.474 1.284 1.00 0.00 H new ATOM 0 HB2 LYS A 169 2.470 -12.912 2.306 1.00 0.00 H new ATOM 0 HB3 LYS A 169 2.131 -11.942 0.886 1.00 0.00 H new ATOM 0 HG2 LYS A 169 1.694 -13.754 -0.414 1.00 0.00 H new ATOM 0 HG3 LYS A 169 3.026 -14.682 0.246 1.00 0.00 H new ATOM 0 HD2 LYS A 169 1.368 -14.604 2.425 1.00 0.00 H new ATOM 0 HD3 LYS A 169 0.184 -14.542 1.133 1.00 0.00 H new ATOM 0 HE2 LYS A 169 2.413 -16.610 1.262 1.00 0.00 H new ATOM 0 HE3 LYS A 169 0.815 -16.875 1.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 0.998 -17.787 -0.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -0.135 -16.523 -0.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 1.413 -16.266 -0.923 1.00 0.00 H new ATOM 683 N ALA A 170 3.770 -11.161 -0.874 1.00 0.00 N ATOM 684 CA ALA A 170 3.945 -10.690 -2.243 1.00 0.00 C ATOM 685 C ALA A 170 3.521 -11.756 -3.248 1.00 0.00 C ATOM 686 O ALA A 170 3.341 -11.411 -4.435 1.00 0.00 O ATOM 687 CB ALA A 170 5.392 -10.279 -2.483 1.00 0.00 C ATOM 688 OXT ALA A 170 3.371 -12.926 -2.840 1.00 0.00 O ATOM 0 H ALA A 170 3.072 -10.645 -0.338 1.00 0.00 H new ATOM 0 HA ALA A 170 3.306 -9.819 -2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 170 5.506 -9.930 -3.509 1.00 0.00 H new ATOM 0 HB2 ALA A 170 5.661 -9.477 -1.795 1.00 0.00 H new ATOM 0 HB3 ALA A 170 6.046 -11.135 -2.316 1.00 0.00 H new