USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 488 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 139 SER OG : rot 180:sc= 0.414 USER MOD Set 1.2: A 140 GLN : amide:sc= -1.22 K(o=-0.81,f=0.58) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 TYR OH : rot 51:sc= -0.0131 USER MOD Single : A 132 GLN : amide:sc= -0.856 K(o=-0.86,f=-4!) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 GLN : amide:sc= -3.41 K(o=-3.4,f=-0.95) USER MOD Single : A 142 GLN : amide:sc= -0.084 X(o=-0.084,f=0.058) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 145 ASN : amide:sc=-0.000878 X(o=-0.00088,f=-0.34) USER MOD Single : A 151 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ 145:sc= -1.66 (180deg=-3.86!) USER MOD Single : A 156 SER OG : rot 27:sc= 1.2 USER MOD Single : A 157 GLN : amide:sc= -1.85 K(o=-1.9,f=-3.6!) USER MOD Single : A 158 SER OG : rot -29:sc= 0.637 USER MOD Single : A 161 THR OG1 : rot 180:sc= 0 USER MOD Single : A 166 SER OG : rot -85:sc= 0.516 USER MOD Single : A 169 SER OG : rot -25:sc= 0.592 USER MOD Single : A 170 GLN : amide:sc= -0.0309 K(o=-0.031,f=-0.71) USER MOD Single : A 173 LYS NZ :NH3+ -165:sc= -0.0454 (180deg=-0.381) USER MOD Single : A 175 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 180 MET CE :methyl -154:sc= -0.217 (180deg=-0.96) USER MOD Single : A 183 ASN : amide:sc=-0.00048 K(o=-0.00048,f=-0.82) USER MOD Single : A 184 THR OG1 : rot -8:sc= 0.122 USER MOD ----------------------------------------------------------------- ATOM 128 N ALA A 126 -5.492 9.664 3.160 1.00 0.00 N ATOM 129 CA ALA A 126 -5.001 8.649 2.236 1.00 0.00 C ATOM 130 C ALA A 126 -3.639 9.032 1.668 1.00 0.00 C ATOM 131 O ALA A 126 -2.804 8.168 1.398 1.00 0.00 O ATOM 132 CB ALA A 126 -6.003 8.431 1.111 1.00 0.00 C ATOM 0 HA ALA A 126 -4.883 7.717 2.789 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -5.624 7.671 0.428 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -6.954 8.101 1.530 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -6.150 9.365 0.568 1.00 0.00 H new ATOM 138 N LEU A 127 -3.418 10.330 1.492 1.00 0.00 N ATOM 139 CA LEU A 127 -2.154 10.826 0.956 1.00 0.00 C ATOM 140 C LEU A 127 -1.103 10.920 2.054 1.00 0.00 C ATOM 141 O LEU A 127 -0.028 11.485 1.853 1.00 0.00 O ATOM 142 CB LEU A 127 -2.345 12.199 0.301 1.00 0.00 C ATOM 143 CG LEU A 127 -3.087 12.198 -1.042 1.00 0.00 C ATOM 144 CD1 LEU A 127 -2.350 11.342 -2.062 1.00 0.00 C ATOM 145 CD2 LEU A 127 -4.518 11.710 -0.869 1.00 0.00 C ATOM 0 H LEU A 127 -4.097 11.058 1.712 1.00 0.00 H new ATOM 0 HA LEU A 127 -1.811 10.120 0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -2.889 12.840 0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -1.364 12.650 0.153 1.00 0.00 H new ATOM 0 HG LEU A 127 -3.119 13.223 -1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -2.892 11.355 -3.007 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -1.347 11.740 -2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -2.282 10.317 -1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -5.024 11.718 -1.834 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -4.511 10.695 -0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -5.045 12.367 -0.177 1.00 0.00 H new ATOM 157 N SER A 128 -1.420 10.361 3.217 1.00 0.00 N ATOM 158 CA SER A 128 -0.503 10.381 4.348 1.00 0.00 C ATOM 159 C SER A 128 0.515 9.251 4.243 1.00 0.00 C ATOM 160 O SER A 128 1.721 9.493 4.198 1.00 0.00 O ATOM 161 CB SER A 128 -1.279 10.268 5.662 1.00 0.00 C ATOM 162 OG SER A 128 -0.402 10.289 6.775 1.00 0.00 O ATOM 0 H SER A 128 -2.305 9.889 3.400 1.00 0.00 H new ATOM 0 HA SER A 128 0.034 11.329 4.333 1.00 0.00 H new ATOM 0 HB2 SER A 128 -1.990 11.090 5.740 1.00 0.00 H new ATOM 0 HB3 SER A 128 -1.858 9.344 5.668 1.00 0.00 H new ATOM 0 HG SER A 128 -0.922 10.217 7.603 1.00 0.00 H new ATOM 168 N TYR A 129 0.022 8.015 4.201 1.00 0.00 N ATOM 169 CA TYR A 129 0.894 6.850 4.104 1.00 0.00 C ATOM 170 C TYR A 129 1.464 6.697 2.697 1.00 0.00 C ATOM 171 O TYR A 129 2.646 6.397 2.530 1.00 0.00 O ATOM 172 CB TYR A 129 0.136 5.581 4.502 1.00 0.00 C ATOM 173 CG TYR A 129 0.958 4.318 4.363 1.00 0.00 C ATOM 174 CD1 TYR A 129 2.170 4.179 5.028 1.00 0.00 C ATOM 175 CD2 TYR A 129 0.524 3.269 3.562 1.00 0.00 C ATOM 176 CE1 TYR A 129 2.926 3.029 4.898 1.00 0.00 C ATOM 177 CE2 TYR A 129 1.274 2.116 3.429 1.00 0.00 C ATOM 178 CZ TYR A 129 2.474 2.002 4.098 1.00 0.00 C ATOM 179 OH TYR A 129 3.225 0.857 3.965 1.00 0.00 O ATOM 0 H TYR A 129 -0.974 7.796 4.233 1.00 0.00 H new ATOM 0 HA TYR A 129 1.726 7.001 4.792 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -0.198 5.676 5.535 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -0.758 5.493 3.885 1.00 0.00 H new ATOM 0 HD1 TYR A 129 2.527 4.982 5.656 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -0.415 3.356 3.035 1.00 0.00 H new ATOM 0 HE1 TYR A 129 3.866 2.936 5.421 1.00 0.00 H new ATOM 0 HE2 TYR A 129 0.922 1.308 2.804 1.00 0.00 H new ATOM 0 HH TYR A 129 3.468 0.520 4.853 1.00 0.00 H new ATOM 189 N LEU A 130 0.622 6.901 1.689 1.00 0.00 N ATOM 190 CA LEU A 130 1.051 6.780 0.297 1.00 0.00 C ATOM 191 C LEU A 130 2.267 7.659 0.021 1.00 0.00 C ATOM 192 O LEU A 130 3.241 7.214 -0.590 1.00 0.00 O ATOM 193 CB LEU A 130 -0.093 7.157 -0.648 1.00 0.00 C ATOM 194 CG LEU A 130 -1.316 6.240 -0.585 1.00 0.00 C ATOM 195 CD1 LEU A 130 -2.443 6.795 -1.444 1.00 0.00 C ATOM 196 CD2 LEU A 130 -0.951 4.831 -1.028 1.00 0.00 C ATOM 0 H LEU A 130 -0.360 7.150 1.808 1.00 0.00 H new ATOM 0 HA LEU A 130 1.331 5.741 0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -0.410 8.175 -0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 130 0.287 7.161 -1.670 1.00 0.00 H new ATOM 0 HG LEU A 130 -1.660 6.196 0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -3.305 6.130 -1.387 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -2.723 7.784 -1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -2.109 6.869 -2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -1.833 4.193 -0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -0.581 4.856 -2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -0.177 4.433 -0.372 1.00 0.00 H new ATOM 208 N ASP A 131 2.206 8.908 0.475 1.00 0.00 N ATOM 209 CA ASP A 131 3.305 9.845 0.279 1.00 0.00 C ATOM 210 C ASP A 131 4.588 9.303 0.899 1.00 0.00 C ATOM 211 O ASP A 131 5.675 9.464 0.344 1.00 0.00 O ATOM 212 CB ASP A 131 2.960 11.207 0.887 1.00 0.00 C ATOM 213 CG ASP A 131 4.124 12.177 0.838 1.00 0.00 C ATOM 214 OD1 ASP A 131 4.256 12.894 -0.177 1.00 0.00 O ATOM 215 OD2 ASP A 131 4.902 12.220 1.812 1.00 0.00 O ATOM 0 H ASP A 131 1.408 9.293 0.980 1.00 0.00 H new ATOM 0 HA ASP A 131 3.462 9.969 -0.792 1.00 0.00 H new ATOM 0 HB2 ASP A 131 2.112 11.635 0.353 1.00 0.00 H new ATOM 0 HB3 ASP A 131 2.649 11.070 1.923 1.00 0.00 H new ATOM 220 N GLN A 132 4.452 8.654 2.052 1.00 0.00 N ATOM 221 CA GLN A 132 5.599 8.078 2.743 1.00 0.00 C ATOM 222 C GLN A 132 6.242 6.990 1.891 1.00 0.00 C ATOM 223 O GLN A 132 7.454 6.984 1.689 1.00 0.00 O ATOM 224 CB GLN A 132 5.174 7.504 4.098 1.00 0.00 C ATOM 225 CG GLN A 132 4.722 8.562 5.091 1.00 0.00 C ATOM 226 CD GLN A 132 4.202 7.966 6.384 1.00 0.00 C ATOM 227 OE1 GLN A 132 3.010 7.687 6.517 1.00 0.00 O ATOM 228 NE2 GLN A 132 5.094 7.768 7.348 1.00 0.00 N ATOM 0 H GLN A 132 3.560 8.514 2.526 1.00 0.00 H new ATOM 0 HA GLN A 132 6.331 8.868 2.912 1.00 0.00 H new ATOM 0 HB2 GLN A 132 4.363 6.792 3.944 1.00 0.00 H new ATOM 0 HB3 GLN A 132 6.009 6.949 4.526 1.00 0.00 H new ATOM 0 HG2 GLN A 132 5.557 9.227 5.312 1.00 0.00 H new ATOM 0 HG3 GLN A 132 3.941 9.171 4.636 1.00 0.00 H new ATOM 0 HE21 GLN A 132 6.072 8.013 7.196 1.00 0.00 H new ATOM 0 HE22 GLN A 132 4.801 7.371 8.240 1.00 0.00 H new ATOM 237 N VAL A 133 5.416 6.075 1.388 1.00 0.00 N ATOM 238 CA VAL A 133 5.900 4.984 0.552 1.00 0.00 C ATOM 239 C VAL A 133 6.714 5.518 -0.621 1.00 0.00 C ATOM 240 O VAL A 133 7.798 5.016 -0.917 1.00 0.00 O ATOM 241 CB VAL A 133 4.735 4.131 0.011 1.00 0.00 C ATOM 242 CG1 VAL A 133 5.259 2.954 -0.800 1.00 0.00 C ATOM 243 CG2 VAL A 133 3.852 3.649 1.152 1.00 0.00 C ATOM 0 H VAL A 133 4.408 6.069 1.546 1.00 0.00 H new ATOM 0 HA VAL A 133 6.535 4.358 1.179 1.00 0.00 H new ATOM 0 HB VAL A 133 4.132 4.754 -0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 133 4.420 2.366 -1.172 1.00 0.00 H new ATOM 0 HG12 VAL A 133 5.844 3.324 -1.642 1.00 0.00 H new ATOM 0 HG13 VAL A 133 5.889 2.328 -0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 133 3.035 3.049 0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 133 4.444 3.044 1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 133 3.444 4.508 1.684 1.00 0.00 H new ATOM 253 N LYS A 134 6.183 6.538 -1.288 1.00 0.00 N ATOM 254 CA LYS A 134 6.867 7.144 -2.426 1.00 0.00 C ATOM 255 C LYS A 134 8.083 7.946 -1.967 1.00 0.00 C ATOM 256 O LYS A 134 9.023 8.161 -2.734 1.00 0.00 O ATOM 257 CB LYS A 134 5.906 8.044 -3.205 1.00 0.00 C ATOM 258 CG LYS A 134 6.515 8.645 -4.462 1.00 0.00 C ATOM 259 CD LYS A 134 5.479 9.406 -5.274 1.00 0.00 C ATOM 260 CE LYS A 134 6.088 10.013 -6.528 1.00 0.00 C ATOM 261 NZ LYS A 134 5.062 10.680 -7.375 1.00 0.00 N ATOM 0 H LYS A 134 5.283 6.962 -1.061 1.00 0.00 H new ATOM 0 HA LYS A 134 7.212 6.344 -3.081 1.00 0.00 H new ATOM 0 HB2 LYS A 134 5.023 7.466 -3.480 1.00 0.00 H new ATOM 0 HB3 LYS A 134 5.569 8.850 -2.554 1.00 0.00 H new ATOM 0 HG2 LYS A 134 7.329 9.316 -4.188 1.00 0.00 H new ATOM 0 HG3 LYS A 134 6.947 7.853 -5.073 1.00 0.00 H new ATOM 0 HD2 LYS A 134 4.667 8.733 -5.552 1.00 0.00 H new ATOM 0 HD3 LYS A 134 5.043 10.195 -4.661 1.00 0.00 H new ATOM 0 HE2 LYS A 134 6.853 10.737 -6.247 1.00 0.00 H new ATOM 0 HE3 LYS A 134 6.584 9.233 -7.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 5.517 11.081 -8.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 4.345 9.984 -7.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 4.606 11.441 -6.833 1.00 0.00 H new ATOM 275 N LEU A 135 8.059 8.384 -0.711 1.00 0.00 N ATOM 276 CA LEU A 135 9.153 9.170 -0.148 1.00 0.00 C ATOM 277 C LEU A 135 10.403 8.318 0.070 1.00 0.00 C ATOM 278 O LEU A 135 11.491 8.676 -0.382 1.00 0.00 O ATOM 279 CB LEU A 135 8.721 9.808 1.176 1.00 0.00 C ATOM 280 CG LEU A 135 9.751 10.744 1.814 1.00 0.00 C ATOM 281 CD1 LEU A 135 10.024 11.936 0.909 1.00 0.00 C ATOM 282 CD2 LEU A 135 9.273 11.209 3.180 1.00 0.00 C ATOM 0 H LEU A 135 7.292 8.207 -0.062 1.00 0.00 H new ATOM 0 HA LEU A 135 9.399 9.954 -0.865 1.00 0.00 H new ATOM 0 HB2 LEU A 135 7.800 10.367 1.008 1.00 0.00 H new ATOM 0 HB3 LEU A 135 8.487 9.014 1.885 1.00 0.00 H new ATOM 0 HG LEU A 135 10.682 10.193 1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 135 10.758 12.590 1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 135 10.411 11.585 -0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 135 9.099 12.488 0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 135 10.017 11.873 3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 135 8.329 11.742 3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 135 9.130 10.345 3.829 1.00 0.00 H new ATOM 294 N GLN A 136 10.244 7.196 0.769 1.00 0.00 N ATOM 295 CA GLN A 136 11.366 6.301 1.050 1.00 0.00 C ATOM 296 C GLN A 136 12.115 5.922 -0.226 1.00 0.00 C ATOM 297 O GLN A 136 13.340 6.030 -0.291 1.00 0.00 O ATOM 298 CB GLN A 136 10.878 5.038 1.764 1.00 0.00 C ATOM 299 CG GLN A 136 10.687 5.219 3.262 1.00 0.00 C ATOM 300 CD GLN A 136 9.573 6.190 3.598 1.00 0.00 C ATOM 301 OE1 GLN A 136 9.794 7.397 3.694 1.00 0.00 O ATOM 302 NE2 GLN A 136 8.367 5.666 3.784 1.00 0.00 N ATOM 0 H GLN A 136 9.351 6.885 1.151 1.00 0.00 H new ATOM 0 HA GLN A 136 12.057 6.836 1.701 1.00 0.00 H new ATOM 0 HB2 GLN A 136 9.933 4.723 1.321 1.00 0.00 H new ATOM 0 HB3 GLN A 136 11.594 4.234 1.592 1.00 0.00 H new ATOM 0 HG2 GLN A 136 10.469 4.252 3.716 1.00 0.00 H new ATOM 0 HG3 GLN A 136 11.618 5.575 3.702 1.00 0.00 H new ATOM 0 HE21 GLN A 136 8.229 4.659 3.694 1.00 0.00 H new ATOM 0 HE22 GLN A 136 7.579 6.270 4.016 1.00 0.00 H new ATOM 311 N PHE A 137 11.375 5.480 -1.239 1.00 0.00 N ATOM 312 CA PHE A 137 11.980 5.086 -2.507 1.00 0.00 C ATOM 313 C PHE A 137 12.164 6.292 -3.424 1.00 0.00 C ATOM 314 O PHE A 137 13.224 6.919 -3.432 1.00 0.00 O ATOM 315 CB PHE A 137 11.126 4.020 -3.198 1.00 0.00 C ATOM 316 CG PHE A 137 10.978 2.761 -2.394 1.00 0.00 C ATOM 317 CD1 PHE A 137 10.039 2.679 -1.377 1.00 0.00 C ATOM 318 CD2 PHE A 137 11.779 1.659 -2.651 1.00 0.00 C ATOM 319 CE1 PHE A 137 9.902 1.525 -0.633 1.00 0.00 C ATOM 320 CE2 PHE A 137 11.645 0.500 -1.909 1.00 0.00 C ATOM 321 CZ PHE A 137 10.706 0.434 -0.898 1.00 0.00 C ATOM 0 H PHE A 137 10.360 5.386 -1.207 1.00 0.00 H new ATOM 0 HA PHE A 137 12.963 4.666 -2.295 1.00 0.00 H new ATOM 0 HB2 PHE A 137 10.137 4.432 -3.400 1.00 0.00 H new ATOM 0 HB3 PHE A 137 11.572 3.776 -4.162 1.00 0.00 H new ATOM 0 HD1 PHE A 137 9.407 3.529 -1.165 1.00 0.00 H new ATOM 0 HD2 PHE A 137 12.516 1.706 -3.439 1.00 0.00 H new ATOM 0 HE1 PHE A 137 9.166 1.475 0.156 1.00 0.00 H new ATOM 0 HE2 PHE A 137 12.274 -0.353 -2.120 1.00 0.00 H new ATOM 0 HZ PHE A 137 10.601 -0.469 -0.316 1.00 0.00 H new ATOM 331 N GLY A 138 11.126 6.616 -4.190 1.00 0.00 N ATOM 332 CA GLY A 138 11.196 7.746 -5.098 1.00 0.00 C ATOM 333 C GLY A 138 11.917 7.416 -6.392 1.00 0.00 C ATOM 334 O GLY A 138 11.349 7.545 -7.476 1.00 0.00 O ATOM 0 H GLY A 138 10.237 6.115 -4.198 1.00 0.00 H new ATOM 0 HA2 GLY A 138 10.186 8.086 -5.327 1.00 0.00 H new ATOM 0 HA3 GLY A 138 11.706 8.573 -4.604 1.00 0.00 H new ATOM 338 N SER A 139 13.172 6.989 -6.277 1.00 0.00 N ATOM 339 CA SER A 139 13.974 6.643 -7.446 1.00 0.00 C ATOM 340 C SER A 139 13.344 5.493 -8.225 1.00 0.00 C ATOM 341 O SER A 139 13.418 5.450 -9.453 1.00 0.00 O ATOM 342 CB SER A 139 15.396 6.267 -7.023 1.00 0.00 C ATOM 343 OG SER A 139 16.201 5.967 -8.150 1.00 0.00 O ATOM 0 H SER A 139 13.655 6.875 -5.386 1.00 0.00 H new ATOM 0 HA SER A 139 14.012 7.517 -8.096 1.00 0.00 H new ATOM 0 HB2 SER A 139 15.841 7.089 -6.463 1.00 0.00 H new ATOM 0 HB3 SER A 139 15.364 5.406 -6.355 1.00 0.00 H new ATOM 0 HG SER A 139 17.105 5.731 -7.853 1.00 0.00 H new ATOM 349 N GLN A 140 12.729 4.560 -7.503 1.00 0.00 N ATOM 350 CA GLN A 140 12.085 3.409 -8.126 1.00 0.00 C ATOM 351 C GLN A 140 10.569 3.604 -8.205 1.00 0.00 C ATOM 352 O GLN A 140 9.861 3.386 -7.221 1.00 0.00 O ATOM 353 CB GLN A 140 12.405 2.133 -7.341 1.00 0.00 C ATOM 354 CG GLN A 140 13.769 1.542 -7.664 1.00 0.00 C ATOM 355 CD GLN A 140 14.905 2.517 -7.421 1.00 0.00 C ATOM 356 OE1 GLN A 140 15.458 2.584 -6.323 1.00 0.00 O ATOM 357 NE2 GLN A 140 15.261 3.277 -8.449 1.00 0.00 N ATOM 0 H GLN A 140 12.663 4.579 -6.485 1.00 0.00 H new ATOM 0 HA GLN A 140 12.473 3.314 -9.140 1.00 0.00 H new ATOM 0 HB2 GLN A 140 12.357 2.352 -6.274 1.00 0.00 H new ATOM 0 HB3 GLN A 140 11.637 1.387 -7.548 1.00 0.00 H new ATOM 0 HG2 GLN A 140 13.926 0.650 -7.058 1.00 0.00 H new ATOM 0 HG3 GLN A 140 13.785 1.225 -8.707 1.00 0.00 H new ATOM 0 HE21 GLN A 140 14.775 3.188 -9.341 1.00 0.00 H new ATOM 0 HE22 GLN A 140 16.021 3.950 -8.347 1.00 0.00 H new ATOM 366 N PRO A 141 10.050 4.025 -9.376 1.00 0.00 N ATOM 367 CA PRO A 141 8.612 4.244 -9.564 1.00 0.00 C ATOM 368 C PRO A 141 7.846 2.934 -9.704 1.00 0.00 C ATOM 369 O PRO A 141 6.618 2.906 -9.612 1.00 0.00 O ATOM 370 CB PRO A 141 8.550 5.042 -10.865 1.00 0.00 C ATOM 371 CG PRO A 141 9.748 4.598 -11.630 1.00 0.00 C ATOM 372 CD PRO A 141 10.815 4.323 -10.605 1.00 0.00 C ATOM 0 HA PRO A 141 8.156 4.751 -8.714 1.00 0.00 H new ATOM 0 HB2 PRO A 141 7.630 4.837 -11.413 1.00 0.00 H new ATOM 0 HB3 PRO A 141 8.575 6.115 -10.675 1.00 0.00 H new ATOM 0 HG2 PRO A 141 9.529 3.705 -12.215 1.00 0.00 H new ATOM 0 HG3 PRO A 141 10.070 5.367 -12.332 1.00 0.00 H new ATOM 0 HD2 PRO A 141 11.445 3.483 -10.898 1.00 0.00 H new ATOM 0 HD3 PRO A 141 11.472 5.182 -10.470 1.00 0.00 H new ATOM 380 N GLN A 142 8.581 1.850 -9.928 1.00 0.00 N ATOM 381 CA GLN A 142 7.978 0.531 -10.083 1.00 0.00 C ATOM 382 C GLN A 142 7.439 0.020 -8.750 1.00 0.00 C ATOM 383 O GLN A 142 6.455 -0.717 -8.710 1.00 0.00 O ATOM 384 CB GLN A 142 9.003 -0.455 -10.646 1.00 0.00 C ATOM 385 CG GLN A 142 8.437 -1.841 -10.909 1.00 0.00 C ATOM 386 CD GLN A 142 7.326 -1.833 -11.941 1.00 0.00 C ATOM 387 OE1 GLN A 142 6.151 -1.691 -11.603 1.00 0.00 O ATOM 388 NE2 GLN A 142 7.695 -1.983 -13.207 1.00 0.00 N ATOM 0 H GLN A 142 9.598 1.859 -10.006 1.00 0.00 H new ATOM 0 HA GLN A 142 7.145 0.617 -10.781 1.00 0.00 H new ATOM 0 HB2 GLN A 142 9.407 -0.055 -11.576 1.00 0.00 H new ATOM 0 HB3 GLN A 142 9.835 -0.539 -9.947 1.00 0.00 H new ATOM 0 HG2 GLN A 142 9.238 -2.498 -11.248 1.00 0.00 H new ATOM 0 HG3 GLN A 142 8.058 -2.257 -9.976 1.00 0.00 H new ATOM 0 HE21 GLN A 142 8.681 -2.098 -13.441 1.00 0.00 H new ATOM 0 HE22 GLN A 142 6.992 -1.984 -13.946 1.00 0.00 H new ATOM 397 N VAL A 143 8.092 0.418 -7.662 1.00 0.00 N ATOM 398 CA VAL A 143 7.680 0.002 -6.327 1.00 0.00 C ATOM 399 C VAL A 143 6.365 0.664 -5.930 1.00 0.00 C ATOM 400 O VAL A 143 5.428 -0.008 -5.496 1.00 0.00 O ATOM 401 CB VAL A 143 8.755 0.345 -5.276 1.00 0.00 C ATOM 402 CG1 VAL A 143 8.322 -0.115 -3.890 1.00 0.00 C ATOM 403 CG2 VAL A 143 10.090 -0.276 -5.658 1.00 0.00 C ATOM 0 H VAL A 143 8.909 1.028 -7.680 1.00 0.00 H new ATOM 0 HA VAL A 143 7.545 -1.079 -6.357 1.00 0.00 H new ATOM 0 HB VAL A 143 8.875 1.428 -5.250 1.00 0.00 H new ATOM 0 HG11 VAL A 143 9.096 0.137 -3.165 1.00 0.00 H new ATOM 0 HG12 VAL A 143 7.392 0.382 -3.616 1.00 0.00 H new ATOM 0 HG13 VAL A 143 8.169 -1.194 -3.896 1.00 0.00 H new ATOM 0 HG21 VAL A 143 10.837 -0.024 -4.905 1.00 0.00 H new ATOM 0 HG22 VAL A 143 9.984 -1.359 -5.716 1.00 0.00 H new ATOM 0 HG23 VAL A 143 10.407 0.110 -6.627 1.00 0.00 H new ATOM 413 N TYR A 144 6.302 1.984 -6.080 1.00 0.00 N ATOM 414 CA TYR A 144 5.101 2.738 -5.739 1.00 0.00 C ATOM 415 C TYR A 144 3.926 2.302 -6.608 1.00 0.00 C ATOM 416 O TYR A 144 2.822 2.070 -6.110 1.00 0.00 O ATOM 417 CB TYR A 144 5.357 4.239 -5.908 1.00 0.00 C ATOM 418 CG TYR A 144 4.198 5.114 -5.483 1.00 0.00 C ATOM 419 CD1 TYR A 144 3.745 5.117 -4.170 1.00 0.00 C ATOM 420 CD2 TYR A 144 3.560 5.944 -6.398 1.00 0.00 C ATOM 421 CE1 TYR A 144 2.689 5.919 -3.779 1.00 0.00 C ATOM 422 CE2 TYR A 144 2.504 6.751 -6.015 1.00 0.00 C ATOM 423 CZ TYR A 144 2.073 6.734 -4.706 1.00 0.00 C ATOM 424 OH TYR A 144 1.022 7.536 -4.321 1.00 0.00 O ATOM 0 H TYR A 144 7.070 2.554 -6.436 1.00 0.00 H new ATOM 0 HA TYR A 144 4.850 2.536 -4.698 1.00 0.00 H new ATOM 0 HB2 TYR A 144 6.238 4.514 -5.328 1.00 0.00 H new ATOM 0 HB3 TYR A 144 5.588 4.442 -6.954 1.00 0.00 H new ATOM 0 HD1 TYR A 144 4.226 4.481 -3.441 1.00 0.00 H new ATOM 0 HD2 TYR A 144 3.895 5.959 -7.425 1.00 0.00 H new ATOM 0 HE1 TYR A 144 2.348 5.908 -2.754 1.00 0.00 H new ATOM 0 HE2 TYR A 144 2.020 7.391 -6.738 1.00 0.00 H new ATOM 0 HH TYR A 144 0.702 8.048 -5.093 1.00 0.00 H new ATOM 434 N ASN A 145 4.173 2.186 -7.910 1.00 0.00 N ATOM 435 CA ASN A 145 3.139 1.775 -8.853 1.00 0.00 C ATOM 436 C ASN A 145 2.605 0.391 -8.502 1.00 0.00 C ATOM 437 O ASN A 145 1.395 0.182 -8.432 1.00 0.00 O ATOM 438 CB ASN A 145 3.692 1.775 -10.279 1.00 0.00 C ATOM 439 CG ASN A 145 2.642 1.398 -11.306 1.00 0.00 C ATOM 440 OD1 ASN A 145 2.457 0.223 -11.620 1.00 0.00 O ATOM 441 ND2 ASN A 145 1.948 2.399 -11.836 1.00 0.00 N ATOM 0 H ASN A 145 5.081 2.371 -8.336 1.00 0.00 H new ATOM 0 HA ASN A 145 2.318 2.489 -8.790 1.00 0.00 H new ATOM 0 HB2 ASN A 145 4.086 2.764 -10.513 1.00 0.00 H new ATOM 0 HB3 ASN A 145 4.526 1.076 -10.342 1.00 0.00 H new ATOM 0 HD21 ASN A 145 1.228 2.208 -12.533 1.00 0.00 H new ATOM 0 HD22 ASN A 145 2.135 3.359 -11.546 1.00 0.00 H new ATOM 448 N ASP A 146 3.518 -0.550 -8.278 1.00 0.00 N ATOM 449 CA ASP A 146 3.144 -1.918 -7.935 1.00 0.00 C ATOM 450 C ASP A 146 2.255 -1.943 -6.695 1.00 0.00 C ATOM 451 O ASP A 146 1.229 -2.621 -6.671 1.00 0.00 O ATOM 452 CB ASP A 146 4.393 -2.767 -7.700 1.00 0.00 C ATOM 453 CG ASP A 146 4.063 -4.218 -7.414 1.00 0.00 C ATOM 454 OD1 ASP A 146 3.969 -5.006 -8.378 1.00 0.00 O ATOM 455 OD2 ASP A 146 3.900 -4.568 -6.226 1.00 0.00 O ATOM 0 H ASP A 146 4.524 -0.389 -8.328 1.00 0.00 H new ATOM 0 HA ASP A 146 2.583 -2.336 -8.771 1.00 0.00 H new ATOM 0 HB2 ASP A 146 5.037 -2.710 -8.577 1.00 0.00 H new ATOM 0 HB3 ASP A 146 4.957 -2.354 -6.863 1.00 0.00 H new ATOM 460 N PHE A 147 2.658 -1.199 -5.668 1.00 0.00 N ATOM 461 CA PHE A 147 1.898 -1.133 -4.425 1.00 0.00 C ATOM 462 C PHE A 147 0.463 -0.690 -4.693 1.00 0.00 C ATOM 463 O PHE A 147 -0.487 -1.307 -4.209 1.00 0.00 O ATOM 464 CB PHE A 147 2.569 -0.171 -3.440 1.00 0.00 C ATOM 465 CG PHE A 147 1.812 0.002 -2.154 1.00 0.00 C ATOM 466 CD1 PHE A 147 1.879 -0.960 -1.159 1.00 0.00 C ATOM 467 CD2 PHE A 147 1.033 1.129 -1.941 1.00 0.00 C ATOM 468 CE1 PHE A 147 1.184 -0.802 0.025 1.00 0.00 C ATOM 469 CE2 PHE A 147 0.335 1.291 -0.760 1.00 0.00 C ATOM 470 CZ PHE A 147 0.411 0.325 0.225 1.00 0.00 C ATOM 0 H PHE A 147 3.507 -0.634 -5.673 1.00 0.00 H new ATOM 0 HA PHE A 147 1.877 -2.130 -3.985 1.00 0.00 H new ATOM 0 HB2 PHE A 147 3.571 -0.536 -3.215 1.00 0.00 H new ATOM 0 HB3 PHE A 147 2.684 0.802 -3.917 1.00 0.00 H new ATOM 0 HD1 PHE A 147 2.481 -1.844 -1.311 1.00 0.00 H new ATOM 0 HD2 PHE A 147 0.971 1.888 -2.707 1.00 0.00 H new ATOM 0 HE1 PHE A 147 1.245 -1.559 0.793 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -0.270 2.172 -0.607 1.00 0.00 H new ATOM 0 HZ PHE A 147 -0.133 0.451 1.149 1.00 0.00 H new ATOM 480 N LEU A 148 0.314 0.383 -5.467 1.00 0.00 N ATOM 481 CA LEU A 148 -1.005 0.903 -5.805 1.00 0.00 C ATOM 482 C LEU A 148 -1.859 -0.172 -6.469 1.00 0.00 C ATOM 483 O LEU A 148 -3.027 -0.346 -6.127 1.00 0.00 O ATOM 484 CB LEU A 148 -0.881 2.116 -6.731 1.00 0.00 C ATOM 485 CG LEU A 148 -0.174 3.332 -6.126 1.00 0.00 C ATOM 486 CD1 LEU A 148 -0.053 4.443 -7.158 1.00 0.00 C ATOM 487 CD2 LEU A 148 -0.920 3.829 -4.895 1.00 0.00 C ATOM 0 H LEU A 148 1.090 0.907 -5.870 1.00 0.00 H new ATOM 0 HA LEU A 148 -1.492 1.211 -4.880 1.00 0.00 H new ATOM 0 HB2 LEU A 148 -0.343 1.813 -7.629 1.00 0.00 H new ATOM 0 HB3 LEU A 148 -1.881 2.417 -7.045 1.00 0.00 H new ATOM 0 HG LEU A 148 0.828 3.030 -5.821 1.00 0.00 H new ATOM 0 HD11 LEU A 148 0.452 5.300 -6.712 1.00 0.00 H new ATOM 0 HD12 LEU A 148 0.524 4.086 -8.011 1.00 0.00 H new ATOM 0 HD13 LEU A 148 -1.047 4.740 -7.491 1.00 0.00 H new ATOM 0 HD21 LEU A 148 -0.402 4.693 -4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 148 -1.934 4.114 -5.175 1.00 0.00 H new ATOM 0 HD23 LEU A 148 -0.959 3.036 -4.148 1.00 0.00 H new ATOM 499 N ASP A 149 -1.266 -0.890 -7.418 1.00 0.00 N ATOM 500 CA ASP A 149 -1.973 -1.949 -8.128 1.00 0.00 C ATOM 501 C ASP A 149 -2.476 -3.014 -7.159 1.00 0.00 C ATOM 502 O ASP A 149 -3.621 -3.456 -7.251 1.00 0.00 O ATOM 503 CB ASP A 149 -1.063 -2.588 -9.179 1.00 0.00 C ATOM 504 CG ASP A 149 -0.819 -1.674 -10.364 1.00 0.00 C ATOM 505 OD1 ASP A 149 -1.736 -1.529 -11.199 1.00 0.00 O ATOM 506 OD2 ASP A 149 0.288 -1.106 -10.458 1.00 0.00 O ATOM 0 H ASP A 149 -0.298 -0.757 -7.712 1.00 0.00 H new ATOM 0 HA ASP A 149 -2.833 -1.502 -8.627 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -0.109 -2.847 -8.720 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -1.512 -3.518 -9.527 1.00 0.00 H new ATOM 511 N ILE A 150 -1.615 -3.421 -6.232 1.00 0.00 N ATOM 512 CA ILE A 150 -1.977 -4.434 -5.247 1.00 0.00 C ATOM 513 C ILE A 150 -3.188 -3.993 -4.430 1.00 0.00 C ATOM 514 O ILE A 150 -4.108 -4.776 -4.194 1.00 0.00 O ATOM 515 CB ILE A 150 -0.805 -4.736 -4.289 1.00 0.00 C ATOM 516 CG1 ILE A 150 0.404 -5.253 -5.073 1.00 0.00 C ATOM 517 CG2 ILE A 150 -1.231 -5.747 -3.234 1.00 0.00 C ATOM 518 CD1 ILE A 150 1.659 -5.380 -4.237 1.00 0.00 C ATOM 0 H ILE A 150 -0.663 -3.066 -6.142 1.00 0.00 H new ATOM 0 HA ILE A 150 -2.223 -5.340 -5.800 1.00 0.00 H new ATOM 0 HB ILE A 150 -0.519 -3.812 -3.785 1.00 0.00 H new ATOM 0 HG12 ILE A 150 0.161 -6.227 -5.499 1.00 0.00 H new ATOM 0 HG13 ILE A 150 0.600 -4.580 -5.908 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -0.394 -5.950 -2.566 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -2.065 -5.344 -2.659 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -1.540 -6.672 -3.720 1.00 0.00 H new ATOM 0 HD11 ILE A 150 2.474 -5.752 -4.858 1.00 0.00 H new ATOM 0 HD12 ILE A 150 1.927 -4.404 -3.832 1.00 0.00 H new ATOM 0 HD13 ILE A 150 1.481 -6.076 -3.417 1.00 0.00 H new ATOM 530 N MET A 151 -3.183 -2.734 -4.004 1.00 0.00 N ATOM 531 CA MET A 151 -4.280 -2.192 -3.212 1.00 0.00 C ATOM 532 C MET A 151 -5.580 -2.191 -4.013 1.00 0.00 C ATOM 533 O MET A 151 -6.650 -2.490 -3.480 1.00 0.00 O ATOM 534 CB MET A 151 -3.951 -0.773 -2.748 1.00 0.00 C ATOM 535 CG MET A 151 -4.798 -0.305 -1.576 1.00 0.00 C ATOM 536 SD MET A 151 -4.471 -1.238 -0.068 1.00 0.00 S ATOM 537 CE MET A 151 -5.650 -0.496 1.056 1.00 0.00 C ATOM 0 H MET A 151 -2.432 -2.071 -4.194 1.00 0.00 H new ATOM 0 HA MET A 151 -4.413 -2.829 -2.338 1.00 0.00 H new ATOM 0 HB2 MET A 151 -2.899 -0.726 -2.467 1.00 0.00 H new ATOM 0 HB3 MET A 151 -4.089 -0.086 -3.583 1.00 0.00 H new ATOM 0 HG2 MET A 151 -4.606 0.752 -1.393 1.00 0.00 H new ATOM 0 HG3 MET A 151 -5.853 -0.398 -1.835 1.00 0.00 H new ATOM 0 HE1 MET A 151 -5.568 -0.970 2.034 1.00 0.00 H new ATOM 0 HE2 MET A 151 -5.442 0.570 1.150 1.00 0.00 H new ATOM 0 HE3 MET A 151 -6.659 -0.636 0.669 1.00 0.00 H new ATOM 547 N LYS A 152 -5.480 -1.856 -5.296 1.00 0.00 N ATOM 548 CA LYS A 152 -6.648 -1.818 -6.170 1.00 0.00 C ATOM 549 C LYS A 152 -7.291 -3.194 -6.278 1.00 0.00 C ATOM 550 O LYS A 152 -8.513 -3.322 -6.198 1.00 0.00 O ATOM 551 CB LYS A 152 -6.261 -1.309 -7.560 1.00 0.00 C ATOM 552 CG LYS A 152 -5.804 0.139 -7.572 1.00 0.00 C ATOM 553 CD LYS A 152 -5.386 0.579 -8.964 1.00 0.00 C ATOM 554 CE LYS A 152 -4.918 2.026 -8.973 1.00 0.00 C ATOM 555 NZ LYS A 152 -4.489 2.463 -10.331 1.00 0.00 N ATOM 0 H LYS A 152 -4.603 -1.607 -5.753 1.00 0.00 H new ATOM 0 HA LYS A 152 -7.373 -1.132 -5.733 1.00 0.00 H new ATOM 0 HB2 LYS A 152 -5.463 -1.936 -7.958 1.00 0.00 H new ATOM 0 HB3 LYS A 152 -7.115 -1.417 -8.228 1.00 0.00 H new ATOM 0 HG2 LYS A 152 -6.610 0.779 -7.214 1.00 0.00 H new ATOM 0 HG3 LYS A 152 -4.968 0.264 -6.884 1.00 0.00 H new ATOM 0 HD2 LYS A 152 -4.585 -0.066 -9.326 1.00 0.00 H new ATOM 0 HD3 LYS A 152 -6.224 0.462 -9.651 1.00 0.00 H new ATOM 0 HE2 LYS A 152 -5.724 2.670 -8.622 1.00 0.00 H new ATOM 0 HE3 LYS A 152 -4.089 2.144 -8.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 -4.177 3.455 -10.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 -3.703 1.865 -10.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 -5.287 2.375 -10.992 1.00 0.00 H new ATOM 569 N GLU A 153 -6.467 -4.222 -6.462 1.00 0.00 N ATOM 570 CA GLU A 153 -6.976 -5.584 -6.568 1.00 0.00 C ATOM 571 C GLU A 153 -7.532 -6.036 -5.224 1.00 0.00 C ATOM 572 O GLU A 153 -8.457 -6.846 -5.160 1.00 0.00 O ATOM 573 CB GLU A 153 -5.879 -6.545 -7.034 1.00 0.00 C ATOM 574 CG GLU A 153 -5.161 -6.089 -8.295 1.00 0.00 C ATOM 575 CD GLU A 153 -4.043 -7.029 -8.702 1.00 0.00 C ATOM 576 OE1 GLU A 153 -4.332 -8.032 -9.388 1.00 0.00 O ATOM 577 OE2 GLU A 153 -2.880 -6.763 -8.332 1.00 0.00 O ATOM 0 H GLU A 153 -5.453 -4.139 -6.540 1.00 0.00 H new ATOM 0 HA GLU A 153 -7.775 -5.595 -7.310 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -5.149 -6.664 -6.234 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -6.319 -7.526 -7.212 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -5.880 -6.011 -9.110 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -4.752 -5.091 -8.135 1.00 0.00 H new ATOM 584 N PHE A 154 -6.956 -5.501 -4.150 1.00 0.00 N ATOM 585 CA PHE A 154 -7.390 -5.832 -2.799 1.00 0.00 C ATOM 586 C PHE A 154 -8.780 -5.270 -2.528 1.00 0.00 C ATOM 587 O PHE A 154 -9.567 -5.864 -1.790 1.00 0.00 O ATOM 588 CB PHE A 154 -6.380 -5.300 -1.777 1.00 0.00 C ATOM 589 CG PHE A 154 -6.931 -5.160 -0.384 1.00 0.00 C ATOM 590 CD1 PHE A 154 -7.291 -6.278 0.351 1.00 0.00 C ATOM 591 CD2 PHE A 154 -7.086 -3.908 0.187 1.00 0.00 C ATOM 592 CE1 PHE A 154 -7.796 -6.149 1.631 1.00 0.00 C ATOM 593 CE2 PHE A 154 -7.590 -3.772 1.467 1.00 0.00 C ATOM 594 CZ PHE A 154 -7.945 -4.895 2.190 1.00 0.00 C ATOM 0 H PHE A 154 -6.185 -4.834 -4.192 1.00 0.00 H new ATOM 0 HA PHE A 154 -7.441 -6.917 -2.704 1.00 0.00 H new ATOM 0 HB2 PHE A 154 -5.520 -5.969 -1.750 1.00 0.00 H new ATOM 0 HB3 PHE A 154 -6.018 -4.328 -2.112 1.00 0.00 H new ATOM 0 HD1 PHE A 154 -7.176 -7.261 -0.081 1.00 0.00 H new ATOM 0 HD2 PHE A 154 -6.810 -3.028 -0.374 1.00 0.00 H new ATOM 0 HE1 PHE A 154 -8.074 -7.028 2.194 1.00 0.00 H new ATOM 0 HE2 PHE A 154 -7.706 -2.790 1.901 1.00 0.00 H new ATOM 0 HZ PHE A 154 -8.338 -4.792 3.191 1.00 0.00 H new ATOM 604 N LYS A 155 -9.076 -4.121 -3.127 1.00 0.00 N ATOM 605 CA LYS A 155 -10.379 -3.491 -2.962 1.00 0.00 C ATOM 606 C LYS A 155 -11.487 -4.483 -3.303 1.00 0.00 C ATOM 607 O LYS A 155 -12.362 -4.758 -2.483 1.00 0.00 O ATOM 608 CB LYS A 155 -10.485 -2.254 -3.859 1.00 0.00 C ATOM 609 CG LYS A 155 -11.808 -1.514 -3.729 1.00 0.00 C ATOM 610 CD LYS A 155 -11.932 -0.394 -4.752 1.00 0.00 C ATOM 611 CE LYS A 155 -11.165 0.851 -4.329 1.00 0.00 C ATOM 612 NZ LYS A 155 -9.692 0.631 -4.326 1.00 0.00 N ATOM 0 H LYS A 155 -8.432 -3.609 -3.730 1.00 0.00 H new ATOM 0 HA LYS A 155 -10.491 -3.181 -1.923 1.00 0.00 H new ATOM 0 HB2 LYS A 155 -9.671 -1.570 -3.617 1.00 0.00 H new ATOM 0 HB3 LYS A 155 -10.349 -2.557 -4.897 1.00 0.00 H new ATOM 0 HG2 LYS A 155 -12.632 -2.216 -3.857 1.00 0.00 H new ATOM 0 HG3 LYS A 155 -11.896 -1.100 -2.724 1.00 0.00 H new ATOM 0 HD2 LYS A 155 -11.559 -0.740 -5.716 1.00 0.00 H new ATOM 0 HD3 LYS A 155 -12.984 -0.143 -4.889 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -11.407 1.671 -5.005 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -11.487 1.153 -3.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -9.210 1.504 -4.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -9.382 0.371 -3.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -9.454 -0.136 -4.987 1.00 0.00 H new ATOM 626 N SER A 156 -11.422 -5.023 -4.519 1.00 0.00 N ATOM 627 CA SER A 156 -12.397 -5.998 -5.003 1.00 0.00 C ATOM 628 C SER A 156 -12.033 -6.448 -6.414 1.00 0.00 C ATOM 629 O SER A 156 -12.494 -5.865 -7.395 1.00 0.00 O ATOM 630 CB SER A 156 -13.812 -5.408 -4.999 1.00 0.00 C ATOM 631 OG SER A 156 -14.401 -5.490 -3.714 1.00 0.00 O ATOM 0 H SER A 156 -10.693 -4.797 -5.195 1.00 0.00 H new ATOM 0 HA SER A 156 -12.378 -6.857 -4.332 1.00 0.00 H new ATOM 0 HB2 SER A 156 -13.775 -4.366 -5.318 1.00 0.00 H new ATOM 0 HB3 SER A 156 -14.432 -5.940 -5.720 1.00 0.00 H new ATOM 0 HG SER A 156 -13.698 -5.486 -3.031 1.00 0.00 H new ATOM 637 N GLN A 157 -11.198 -7.481 -6.516 1.00 0.00 N ATOM 638 CA GLN A 157 -10.779 -7.983 -7.819 1.00 0.00 C ATOM 639 C GLN A 157 -10.496 -9.483 -7.793 1.00 0.00 C ATOM 640 O GLN A 157 -11.353 -10.288 -8.161 1.00 0.00 O ATOM 641 CB GLN A 157 -9.544 -7.223 -8.308 1.00 0.00 C ATOM 642 CG GLN A 157 -9.093 -7.622 -9.705 1.00 0.00 C ATOM 643 CD GLN A 157 -7.987 -6.730 -10.236 1.00 0.00 C ATOM 644 OE1 GLN A 157 -7.912 -5.548 -9.900 1.00 0.00 O ATOM 645 NE2 GLN A 157 -7.121 -7.294 -11.069 1.00 0.00 N ATOM 0 H GLN A 157 -10.803 -7.981 -5.719 1.00 0.00 H new ATOM 0 HA GLN A 157 -11.604 -7.817 -8.511 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -9.758 -6.154 -8.296 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -8.724 -7.392 -7.609 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -8.746 -8.655 -9.690 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -9.945 -7.582 -10.384 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -7.221 -8.277 -11.320 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -6.355 -6.744 -11.458 1.00 0.00 H new ATOM 654 N SER A 158 -9.294 -9.858 -7.360 1.00 0.00 N ATOM 655 CA SER A 158 -8.910 -11.266 -7.318 1.00 0.00 C ATOM 656 C SER A 158 -8.192 -11.625 -6.022 1.00 0.00 C ATOM 657 O SER A 158 -7.889 -12.794 -5.781 1.00 0.00 O ATOM 658 CB SER A 158 -8.009 -11.592 -8.510 1.00 0.00 C ATOM 659 OG SER A 158 -7.595 -12.947 -8.480 1.00 0.00 O ATOM 0 H SER A 158 -8.575 -9.212 -7.036 1.00 0.00 H new ATOM 0 HA SER A 158 -9.824 -11.858 -7.366 1.00 0.00 H new ATOM 0 HB2 SER A 158 -8.543 -11.392 -9.439 1.00 0.00 H new ATOM 0 HB3 SER A 158 -7.135 -10.941 -8.498 1.00 0.00 H new ATOM 0 HG SER A 158 -7.550 -13.255 -7.551 1.00 0.00 H new ATOM 665 N ILE A 159 -7.922 -10.629 -5.186 1.00 0.00 N ATOM 666 CA ILE A 159 -7.228 -10.877 -3.924 1.00 0.00 C ATOM 667 C ILE A 159 -8.054 -10.420 -2.726 1.00 0.00 C ATOM 668 O ILE A 159 -9.031 -9.686 -2.874 1.00 0.00 O ATOM 669 CB ILE A 159 -5.850 -10.186 -3.882 1.00 0.00 C ATOM 670 CG1 ILE A 159 -6.008 -8.668 -3.959 1.00 0.00 C ATOM 671 CG2 ILE A 159 -4.971 -10.688 -5.017 1.00 0.00 C ATOM 672 CD1 ILE A 159 -4.704 -7.912 -3.815 1.00 0.00 C ATOM 0 H ILE A 159 -8.168 -9.654 -5.354 1.00 0.00 H new ATOM 0 HA ILE A 159 -7.084 -11.956 -3.864 1.00 0.00 H new ATOM 0 HB ILE A 159 -5.369 -10.433 -2.936 1.00 0.00 H new ATOM 0 HG12 ILE A 159 -6.465 -8.407 -4.913 1.00 0.00 H new ATOM 0 HG13 ILE A 159 -6.694 -8.343 -3.177 1.00 0.00 H new ATOM 0 HG21 ILE A 159 -4.002 -10.191 -4.974 1.00 0.00 H new ATOM 0 HG22 ILE A 159 -4.831 -11.765 -4.920 1.00 0.00 H new ATOM 0 HG23 ILE A 159 -5.449 -10.469 -5.972 1.00 0.00 H new ATOM 0 HD11 ILE A 159 -4.895 -6.841 -3.880 1.00 0.00 H new ATOM 0 HD12 ILE A 159 -4.255 -8.142 -2.849 1.00 0.00 H new ATOM 0 HD13 ILE A 159 -4.022 -8.208 -4.612 1.00 0.00 H new ATOM 684 N ASP A 160 -7.649 -10.865 -1.541 1.00 0.00 N ATOM 685 CA ASP A 160 -8.343 -10.515 -0.307 1.00 0.00 C ATOM 686 C ASP A 160 -7.363 -9.979 0.733 1.00 0.00 C ATOM 687 O ASP A 160 -6.266 -9.533 0.394 1.00 0.00 O ATOM 688 CB ASP A 160 -9.083 -11.736 0.244 1.00 0.00 C ATOM 689 CG ASP A 160 -10.169 -12.226 -0.694 1.00 0.00 C ATOM 690 OD1 ASP A 160 -9.859 -13.043 -1.586 1.00 0.00 O ATOM 691 OD2 ASP A 160 -11.329 -11.791 -0.537 1.00 0.00 O ATOM 0 H ASP A 160 -6.840 -11.472 -1.409 1.00 0.00 H new ATOM 0 HA ASP A 160 -9.067 -9.731 -0.530 1.00 0.00 H new ATOM 0 HB2 ASP A 160 -8.369 -12.541 0.421 1.00 0.00 H new ATOM 0 HB3 ASP A 160 -9.525 -11.485 1.208 1.00 0.00 H new ATOM 696 N THR A 161 -7.765 -10.022 2.002 1.00 0.00 N ATOM 697 CA THR A 161 -6.924 -9.537 3.090 1.00 0.00 C ATOM 698 C THR A 161 -5.559 -10.238 3.116 1.00 0.00 C ATOM 699 O THR A 161 -4.526 -9.571 3.164 1.00 0.00 O ATOM 700 CB THR A 161 -7.615 -9.709 4.458 1.00 0.00 C ATOM 701 OG1 THR A 161 -8.907 -9.089 4.433 1.00 0.00 O ATOM 702 CG2 THR A 161 -6.777 -9.094 5.570 1.00 0.00 C ATOM 0 H THR A 161 -8.669 -10.388 2.300 1.00 0.00 H new ATOM 0 HA THR A 161 -6.764 -8.475 2.904 1.00 0.00 H new ATOM 0 HB THR A 161 -7.724 -10.776 4.654 1.00 0.00 H new ATOM 0 HG1 THR A 161 -9.342 -9.203 5.304 1.00 0.00 H new ATOM 0 HG21 THR A 161 -7.285 -9.228 6.525 1.00 0.00 H new ATOM 0 HG22 THR A 161 -5.804 -9.583 5.605 1.00 0.00 H new ATOM 0 HG23 THR A 161 -6.641 -8.030 5.377 1.00 0.00 H new ATOM 710 N PRO A 162 -5.520 -11.588 3.085 1.00 0.00 N ATOM 711 CA PRO A 162 -4.253 -12.326 3.105 1.00 0.00 C ATOM 712 C PRO A 162 -3.411 -12.055 1.862 1.00 0.00 C ATOM 713 O PRO A 162 -2.181 -12.054 1.920 1.00 0.00 O ATOM 714 CB PRO A 162 -4.683 -13.796 3.150 1.00 0.00 C ATOM 715 CG PRO A 162 -6.073 -13.806 2.614 1.00 0.00 C ATOM 716 CD PRO A 162 -6.682 -12.497 3.025 1.00 0.00 C ATOM 0 HA PRO A 162 -3.628 -12.032 3.948 1.00 0.00 H new ATOM 0 HB2 PRO A 162 -4.023 -14.419 2.547 1.00 0.00 H new ATOM 0 HB3 PRO A 162 -4.649 -14.187 4.167 1.00 0.00 H new ATOM 0 HG2 PRO A 162 -6.073 -13.913 1.529 1.00 0.00 H new ATOM 0 HG3 PRO A 162 -6.641 -14.645 3.017 1.00 0.00 H new ATOM 0 HD2 PRO A 162 -7.424 -12.154 2.304 1.00 0.00 H new ATOM 0 HD3 PRO A 162 -7.185 -12.572 3.989 1.00 0.00 H new ATOM 724 N GLY A 163 -4.086 -11.818 0.743 1.00 0.00 N ATOM 725 CA GLY A 163 -3.391 -11.550 -0.503 1.00 0.00 C ATOM 726 C GLY A 163 -2.606 -10.252 -0.469 1.00 0.00 C ATOM 727 O GLY A 163 -1.452 -10.208 -0.897 1.00 0.00 O ATOM 0 H GLY A 163 -5.104 -11.807 0.676 1.00 0.00 H new ATOM 0 HA2 GLY A 163 -2.712 -12.375 -0.720 1.00 0.00 H new ATOM 0 HA3 GLY A 163 -4.115 -11.511 -1.317 1.00 0.00 H new ATOM 731 N VAL A 164 -3.228 -9.193 0.042 1.00 0.00 N ATOM 732 CA VAL A 164 -2.573 -7.891 0.117 1.00 0.00 C ATOM 733 C VAL A 164 -1.489 -7.874 1.191 1.00 0.00 C ATOM 734 O VAL A 164 -0.424 -7.294 0.994 1.00 0.00 O ATOM 735 CB VAL A 164 -3.583 -6.757 0.392 1.00 0.00 C ATOM 736 CG1 VAL A 164 -4.260 -6.944 1.741 1.00 0.00 C ATOM 737 CG2 VAL A 164 -2.897 -5.401 0.316 1.00 0.00 C ATOM 0 H VAL A 164 -4.180 -9.210 0.408 1.00 0.00 H new ATOM 0 HA VAL A 164 -2.113 -7.720 -0.856 1.00 0.00 H new ATOM 0 HB VAL A 164 -4.354 -6.796 -0.377 1.00 0.00 H new ATOM 0 HG11 VAL A 164 -4.966 -6.131 1.909 1.00 0.00 H new ATOM 0 HG12 VAL A 164 -4.792 -7.895 1.752 1.00 0.00 H new ATOM 0 HG13 VAL A 164 -3.507 -6.940 2.529 1.00 0.00 H new ATOM 0 HG21 VAL A 164 -3.625 -4.614 0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 164 -2.101 -5.354 1.059 1.00 0.00 H new ATOM 0 HG23 VAL A 164 -2.473 -5.263 -0.679 1.00 0.00 H new ATOM 747 N ILE A 165 -1.763 -8.514 2.323 1.00 0.00 N ATOM 748 CA ILE A 165 -0.802 -8.560 3.418 1.00 0.00 C ATOM 749 C ILE A 165 0.463 -9.309 3.010 1.00 0.00 C ATOM 750 O ILE A 165 1.569 -8.932 3.397 1.00 0.00 O ATOM 751 CB ILE A 165 -1.413 -9.218 4.673 1.00 0.00 C ATOM 752 CG1 ILE A 165 -2.567 -8.362 5.203 1.00 0.00 C ATOM 753 CG2 ILE A 165 -0.352 -9.412 5.749 1.00 0.00 C ATOM 754 CD1 ILE A 165 -3.312 -8.991 6.360 1.00 0.00 C ATOM 0 H ILE A 165 -2.638 -9.005 2.505 1.00 0.00 H new ATOM 0 HA ILE A 165 -0.539 -7.530 3.657 1.00 0.00 H new ATOM 0 HB ILE A 165 -1.801 -10.199 4.400 1.00 0.00 H new ATOM 0 HG12 ILE A 165 -2.175 -7.395 5.518 1.00 0.00 H new ATOM 0 HG13 ILE A 165 -3.269 -8.172 4.391 1.00 0.00 H new ATOM 0 HG21 ILE A 165 -0.803 -9.877 6.625 1.00 0.00 H new ATOM 0 HG22 ILE A 165 0.442 -10.053 5.366 1.00 0.00 H new ATOM 0 HG23 ILE A 165 0.066 -8.444 6.027 1.00 0.00 H new ATOM 0 HD11 ILE A 165 -4.114 -8.326 6.681 1.00 0.00 H new ATOM 0 HD12 ILE A 165 -3.735 -9.945 6.045 1.00 0.00 H new ATOM 0 HD13 ILE A 165 -2.624 -9.156 7.189 1.00 0.00 H new ATOM 766 N SER A 166 0.297 -10.366 2.222 1.00 0.00 N ATOM 767 CA SER A 166 1.430 -11.162 1.767 1.00 0.00 C ATOM 768 C SER A 166 2.238 -10.416 0.705 1.00 0.00 C ATOM 769 O SER A 166 3.464 -10.347 0.783 1.00 0.00 O ATOM 770 CB SER A 166 0.947 -12.503 1.210 1.00 0.00 C ATOM 771 OG SER A 166 0.066 -12.314 0.117 1.00 0.00 O ATOM 0 H SER A 166 -0.610 -10.691 1.886 1.00 0.00 H new ATOM 0 HA SER A 166 2.078 -11.343 2.624 1.00 0.00 H new ATOM 0 HB2 SER A 166 1.803 -13.098 0.892 1.00 0.00 H new ATOM 0 HB3 SER A 166 0.442 -13.066 1.995 1.00 0.00 H new ATOM 0 HG SER A 166 -0.845 -12.174 0.451 1.00 0.00 H new ATOM 777 N ARG A 167 1.542 -9.858 -0.281 1.00 0.00 N ATOM 778 CA ARG A 167 2.198 -9.125 -1.361 1.00 0.00 C ATOM 779 C ARG A 167 2.962 -7.911 -0.837 1.00 0.00 C ATOM 780 O ARG A 167 4.086 -7.646 -1.263 1.00 0.00 O ATOM 781 CB ARG A 167 1.172 -8.684 -2.408 1.00 0.00 C ATOM 782 CG ARG A 167 0.597 -9.835 -3.218 1.00 0.00 C ATOM 783 CD ARG A 167 -0.413 -9.348 -4.245 1.00 0.00 C ATOM 784 NE ARG A 167 -0.949 -10.446 -5.045 1.00 0.00 N ATOM 785 CZ ARG A 167 -1.644 -10.273 -6.167 1.00 0.00 C ATOM 786 NH1 ARG A 167 -1.887 -9.050 -6.619 1.00 0.00 N ATOM 787 NH2 ARG A 167 -2.092 -11.326 -6.838 1.00 0.00 N ATOM 0 H ARG A 167 0.526 -9.899 -0.355 1.00 0.00 H new ATOM 0 HA ARG A 167 2.917 -9.800 -1.824 1.00 0.00 H new ATOM 0 HB2 ARG A 167 0.357 -8.160 -1.908 1.00 0.00 H new ATOM 0 HB3 ARG A 167 1.641 -7.971 -3.087 1.00 0.00 H new ATOM 0 HG2 ARG A 167 1.405 -10.364 -3.724 1.00 0.00 H new ATOM 0 HG3 ARG A 167 0.119 -10.549 -2.548 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -1.230 -8.837 -3.736 1.00 0.00 H new ATOM 0 HD3 ARG A 167 0.060 -8.618 -4.902 1.00 0.00 H new ATOM 0 HE ARG A 167 -0.781 -11.400 -4.726 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -1.541 -8.239 -6.107 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -2.420 -8.921 -7.479 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -1.904 -12.268 -6.494 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -2.625 -11.194 -7.698 1.00 0.00 H new ATOM 801 N VAL A 168 2.350 -7.174 0.086 1.00 0.00 N ATOM 802 CA VAL A 168 2.980 -5.986 0.656 1.00 0.00 C ATOM 803 C VAL A 168 4.156 -6.356 1.555 1.00 0.00 C ATOM 804 O VAL A 168 5.240 -5.783 1.438 1.00 0.00 O ATOM 805 CB VAL A 168 1.971 -5.140 1.461 1.00 0.00 C ATOM 806 CG1 VAL A 168 2.668 -3.978 2.153 1.00 0.00 C ATOM 807 CG2 VAL A 168 0.859 -4.634 0.554 1.00 0.00 C ATOM 0 H VAL A 168 1.421 -7.377 0.455 1.00 0.00 H new ATOM 0 HA VAL A 168 3.346 -5.395 -0.183 1.00 0.00 H new ATOM 0 HB VAL A 168 1.529 -5.775 2.229 1.00 0.00 H new ATOM 0 HG11 VAL A 168 1.936 -3.397 2.714 1.00 0.00 H new ATOM 0 HG12 VAL A 168 3.426 -4.363 2.835 1.00 0.00 H new ATOM 0 HG13 VAL A 168 3.142 -3.341 1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 168 0.156 -4.039 1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 168 1.287 -4.018 -0.237 1.00 0.00 H new ATOM 0 HG23 VAL A 168 0.337 -5.482 0.111 1.00 0.00 H new ATOM 817 N SER A 169 3.936 -7.312 2.454 1.00 0.00 N ATOM 818 CA SER A 169 4.981 -7.752 3.375 1.00 0.00 C ATOM 819 C SER A 169 6.216 -8.225 2.614 1.00 0.00 C ATOM 820 O SER A 169 7.346 -8.009 3.051 1.00 0.00 O ATOM 821 CB SER A 169 4.461 -8.876 4.272 1.00 0.00 C ATOM 822 OG SER A 169 4.127 -10.024 3.511 1.00 0.00 O ATOM 0 H SER A 169 3.045 -7.796 2.564 1.00 0.00 H new ATOM 0 HA SER A 169 5.262 -6.901 3.996 1.00 0.00 H new ATOM 0 HB2 SER A 169 5.218 -9.134 5.012 1.00 0.00 H new ATOM 0 HB3 SER A 169 3.584 -8.532 4.820 1.00 0.00 H new ATOM 0 HG SER A 169 3.906 -9.756 2.595 1.00 0.00 H new ATOM 828 N GLN A 170 5.990 -8.874 1.475 1.00 0.00 N ATOM 829 CA GLN A 170 7.085 -9.379 0.653 1.00 0.00 C ATOM 830 C GLN A 170 7.669 -8.269 -0.217 1.00 0.00 C ATOM 831 O GLN A 170 8.855 -8.288 -0.550 1.00 0.00 O ATOM 832 CB GLN A 170 6.597 -10.533 -0.225 1.00 0.00 C ATOM 833 CG GLN A 170 7.677 -11.126 -1.117 1.00 0.00 C ATOM 834 CD GLN A 170 8.840 -11.696 -0.328 1.00 0.00 C ATOM 835 OE1 GLN A 170 8.674 -12.152 0.804 1.00 0.00 O ATOM 836 NE2 GLN A 170 10.027 -11.676 -0.924 1.00 0.00 N ATOM 0 H GLN A 170 5.060 -9.062 1.101 1.00 0.00 H new ATOM 0 HA GLN A 170 7.870 -9.743 1.316 1.00 0.00 H new ATOM 0 HB2 GLN A 170 6.195 -11.319 0.415 1.00 0.00 H new ATOM 0 HB3 GLN A 170 5.776 -10.180 -0.850 1.00 0.00 H new ATOM 0 HG2 GLN A 170 7.242 -11.912 -1.734 1.00 0.00 H new ATOM 0 HG3 GLN A 170 8.046 -10.356 -1.795 1.00 0.00 H new ATOM 0 HE21 GLN A 170 10.120 -11.289 -1.863 1.00 0.00 H new ATOM 0 HE22 GLN A 170 10.846 -12.048 -0.443 1.00 0.00 H new ATOM 845 N LEU A 171 6.829 -7.305 -0.581 1.00 0.00 N ATOM 846 CA LEU A 171 7.257 -6.185 -1.415 1.00 0.00 C ATOM 847 C LEU A 171 8.374 -5.399 -0.737 1.00 0.00 C ATOM 848 O LEU A 171 9.419 -5.144 -1.335 1.00 0.00 O ATOM 849 CB LEU A 171 6.071 -5.263 -1.710 1.00 0.00 C ATOM 850 CG LEU A 171 6.351 -4.134 -2.705 1.00 0.00 C ATOM 851 CD1 LEU A 171 6.633 -4.698 -4.090 1.00 0.00 C ATOM 852 CD2 LEU A 171 5.179 -3.165 -2.750 1.00 0.00 C ATOM 0 H LEU A 171 5.846 -7.276 -0.311 1.00 0.00 H new ATOM 0 HA LEU A 171 7.639 -6.585 -2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 171 5.249 -5.867 -2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 171 5.732 -4.823 -0.772 1.00 0.00 H new ATOM 0 HG LEU A 171 7.235 -3.591 -2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 171 6.830 -3.880 -4.783 1.00 0.00 H new ATOM 0 HD12 LEU A 171 7.503 -5.353 -4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 171 5.769 -5.266 -4.435 1.00 0.00 H new ATOM 0 HD21 LEU A 171 5.393 -2.368 -3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 171 4.279 -3.696 -3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 171 5.024 -2.736 -1.760 1.00 0.00 H new ATOM 864 N PHE A 172 8.145 -5.016 0.517 1.00 0.00 N ATOM 865 CA PHE A 172 9.131 -4.258 1.278 1.00 0.00 C ATOM 866 C PHE A 172 9.995 -5.189 2.124 1.00 0.00 C ATOM 867 O PHE A 172 10.006 -5.098 3.352 1.00 0.00 O ATOM 868 CB PHE A 172 8.435 -3.230 2.174 1.00 0.00 C ATOM 869 CG PHE A 172 7.497 -2.322 1.431 1.00 0.00 C ATOM 870 CD1 PHE A 172 7.978 -1.431 0.485 1.00 0.00 C ATOM 871 CD2 PHE A 172 6.133 -2.359 1.677 1.00 0.00 C ATOM 872 CE1 PHE A 172 7.118 -0.595 -0.202 1.00 0.00 C ATOM 873 CE2 PHE A 172 5.268 -1.526 0.994 1.00 0.00 C ATOM 874 CZ PHE A 172 5.761 -0.644 0.052 1.00 0.00 C ATOM 0 H PHE A 172 7.285 -5.219 1.026 1.00 0.00 H new ATOM 0 HA PHE A 172 9.776 -3.734 0.572 1.00 0.00 H new ATOM 0 HB2 PHE A 172 7.880 -3.755 2.951 1.00 0.00 H new ATOM 0 HB3 PHE A 172 9.191 -2.626 2.675 1.00 0.00 H new ATOM 0 HD1 PHE A 172 9.038 -1.389 0.282 1.00 0.00 H new ATOM 0 HD2 PHE A 172 5.742 -3.047 2.412 1.00 0.00 H new ATOM 0 HE1 PHE A 172 7.506 0.095 -0.936 1.00 0.00 H new ATOM 0 HE2 PHE A 172 4.208 -1.564 1.196 1.00 0.00 H new ATOM 0 HZ PHE A 172 5.086 0.006 -0.485 1.00 0.00 H new ATOM 884 N LYS A 173 10.716 -6.085 1.460 1.00 0.00 N ATOM 885 CA LYS A 173 11.580 -7.034 2.150 1.00 0.00 C ATOM 886 C LYS A 173 12.817 -6.340 2.711 1.00 0.00 C ATOM 887 O LYS A 173 13.462 -6.844 3.631 1.00 0.00 O ATOM 888 CB LYS A 173 11.998 -8.158 1.198 1.00 0.00 C ATOM 889 CG LYS A 173 12.736 -9.299 1.880 1.00 0.00 C ATOM 890 CD LYS A 173 11.826 -10.063 2.830 1.00 0.00 C ATOM 891 CE LYS A 173 12.539 -11.257 3.445 1.00 0.00 C ATOM 892 NZ LYS A 173 13.018 -12.212 2.407 1.00 0.00 N ATOM 0 H LYS A 173 10.719 -6.174 0.444 1.00 0.00 H new ATOM 0 HA LYS A 173 11.019 -7.460 2.982 1.00 0.00 H new ATOM 0 HB2 LYS A 173 11.109 -8.555 0.707 1.00 0.00 H new ATOM 0 HB3 LYS A 173 12.634 -7.742 0.417 1.00 0.00 H new ATOM 0 HG2 LYS A 173 13.131 -9.980 1.126 1.00 0.00 H new ATOM 0 HG3 LYS A 173 13.589 -8.904 2.431 1.00 0.00 H new ATOM 0 HD2 LYS A 173 11.482 -9.396 3.621 1.00 0.00 H new ATOM 0 HD3 LYS A 173 10.941 -10.404 2.293 1.00 0.00 H new ATOM 0 HE2 LYS A 173 13.386 -10.909 4.037 1.00 0.00 H new ATOM 0 HE3 LYS A 173 11.863 -11.772 4.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 173 13.265 -13.117 2.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 173 12.267 -12.367 1.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 173 13.857 -11.819 1.935 1.00 0.00 H new ATOM 906 N GLY A 174 13.139 -5.177 2.154 1.00 0.00 N ATOM 907 CA GLY A 174 14.298 -4.431 2.609 1.00 0.00 C ATOM 908 C GLY A 174 13.928 -3.282 3.527 1.00 0.00 C ATOM 909 O GLY A 174 14.797 -2.677 4.155 1.00 0.00 O ATOM 0 H GLY A 174 12.618 -4.738 1.395 1.00 0.00 H new ATOM 0 HA2 GLY A 174 14.977 -5.105 3.132 1.00 0.00 H new ATOM 0 HA3 GLY A 174 14.837 -4.042 1.745 1.00 0.00 H new ATOM 913 N HIS A 175 12.635 -2.982 3.606 1.00 0.00 N ATOM 914 CA HIS A 175 12.150 -1.899 4.454 1.00 0.00 C ATOM 915 C HIS A 175 11.053 -2.393 5.398 1.00 0.00 C ATOM 916 O HIS A 175 9.876 -2.403 5.037 1.00 0.00 O ATOM 917 CB HIS A 175 11.621 -0.748 3.594 1.00 0.00 C ATOM 918 CG HIS A 175 12.657 -0.146 2.697 1.00 0.00 C ATOM 919 ND1 HIS A 175 13.349 1.005 3.013 1.00 0.00 N ATOM 920 CD2 HIS A 175 13.122 -0.541 1.487 1.00 0.00 C ATOM 921 CE1 HIS A 175 14.192 1.292 2.038 1.00 0.00 C ATOM 922 NE2 HIS A 175 14.074 0.369 1.102 1.00 0.00 N ATOM 0 H HIS A 175 11.904 -3.474 3.092 1.00 0.00 H new ATOM 0 HA HIS A 175 12.985 -1.540 5.055 1.00 0.00 H new ATOM 0 HB2 HIS A 175 10.792 -1.111 2.986 1.00 0.00 H new ATOM 0 HB3 HIS A 175 11.222 0.028 4.247 1.00 0.00 H new ATOM 0 HD2 HIS A 175 12.803 -1.410 0.930 1.00 0.00 H new ATOM 0 HE1 HIS A 175 14.863 2.138 2.011 1.00 0.00 H new ATOM 0 HE2 HIS A 175 14.605 0.337 0.232 1.00 0.00 H new ATOM 931 N PRO A 176 11.424 -2.824 6.620 1.00 0.00 N ATOM 932 CA PRO A 176 10.459 -3.321 7.607 1.00 0.00 C ATOM 933 C PRO A 176 9.609 -2.206 8.210 1.00 0.00 C ATOM 934 O PRO A 176 8.719 -2.463 9.021 1.00 0.00 O ATOM 935 CB PRO A 176 11.346 -3.954 8.682 1.00 0.00 C ATOM 936 CG PRO A 176 12.638 -3.220 8.585 1.00 0.00 C ATOM 937 CD PRO A 176 12.809 -2.867 7.133 1.00 0.00 C ATOM 0 HA PRO A 176 9.743 -4.011 7.160 1.00 0.00 H new ATOM 0 HB2 PRO A 176 10.904 -3.849 9.673 1.00 0.00 H new ATOM 0 HB3 PRO A 176 11.482 -5.021 8.505 1.00 0.00 H new ATOM 0 HG2 PRO A 176 12.625 -2.324 9.205 1.00 0.00 H new ATOM 0 HG3 PRO A 176 13.465 -3.838 8.936 1.00 0.00 H new ATOM 0 HD2 PRO A 176 13.312 -1.908 7.010 1.00 0.00 H new ATOM 0 HD3 PRO A 176 13.408 -3.611 6.608 1.00 0.00 H new ATOM 945 N ASP A 177 9.889 -0.970 7.811 1.00 0.00 N ATOM 946 CA ASP A 177 9.146 0.181 8.314 1.00 0.00 C ATOM 947 C ASP A 177 7.772 0.275 7.658 1.00 0.00 C ATOM 948 O ASP A 177 6.756 0.423 8.339 1.00 0.00 O ATOM 949 CB ASP A 177 9.930 1.471 8.068 1.00 0.00 C ATOM 950 CG ASP A 177 11.260 1.488 8.796 1.00 0.00 C ATOM 951 OD1 ASP A 177 11.276 1.843 9.994 1.00 0.00 O ATOM 952 OD2 ASP A 177 12.286 1.148 8.170 1.00 0.00 O ATOM 0 H ASP A 177 10.624 -0.739 7.142 1.00 0.00 H new ATOM 0 HA ASP A 177 9.007 0.048 9.387 1.00 0.00 H new ATOM 0 HB2 ASP A 177 10.103 1.589 6.998 1.00 0.00 H new ATOM 0 HB3 ASP A 177 9.332 2.323 8.390 1.00 0.00 H new ATOM 957 N LEU A 178 7.747 0.186 6.331 1.00 0.00 N ATOM 958 CA LEU A 178 6.499 0.262 5.583 1.00 0.00 C ATOM 959 C LEU A 178 5.561 -0.878 5.967 1.00 0.00 C ATOM 960 O LEU A 178 4.344 -0.704 5.998 1.00 0.00 O ATOM 961 CB LEU A 178 6.777 0.225 4.077 1.00 0.00 C ATOM 962 CG LEU A 178 7.298 1.533 3.470 1.00 0.00 C ATOM 963 CD1 LEU A 178 6.294 2.658 3.672 1.00 0.00 C ATOM 964 CD2 LEU A 178 8.647 1.912 4.063 1.00 0.00 C ATOM 0 H LEU A 178 8.578 0.061 5.753 1.00 0.00 H new ATOM 0 HA LEU A 178 6.014 1.206 5.833 1.00 0.00 H new ATOM 0 HB2 LEU A 178 7.504 -0.562 3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 178 5.857 -0.053 3.562 1.00 0.00 H new ATOM 0 HG LEU A 178 7.430 1.375 2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 178 6.684 3.577 3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 178 5.353 2.397 3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 178 6.125 2.808 4.738 1.00 0.00 H new ATOM 0 HD21 LEU A 178 8.993 2.843 3.615 1.00 0.00 H new ATOM 0 HD22 LEU A 178 8.547 2.043 5.140 1.00 0.00 H new ATOM 0 HD23 LEU A 178 9.369 1.121 3.859 1.00 0.00 H new ATOM 976 N ILE A 179 6.131 -2.042 6.260 1.00 0.00 N ATOM 977 CA ILE A 179 5.337 -3.203 6.643 1.00 0.00 C ATOM 978 C ILE A 179 4.484 -2.899 7.871 1.00 0.00 C ATOM 979 O ILE A 179 3.283 -3.171 7.888 1.00 0.00 O ATOM 980 CB ILE A 179 6.228 -4.429 6.932 1.00 0.00 C ATOM 981 CG1 ILE A 179 7.111 -4.737 5.719 1.00 0.00 C ATOM 982 CG2 ILE A 179 5.369 -5.635 7.292 1.00 0.00 C ATOM 983 CD1 ILE A 179 8.077 -5.883 5.940 1.00 0.00 C ATOM 0 H ILE A 179 7.138 -2.206 6.240 1.00 0.00 H new ATOM 0 HA ILE A 179 4.686 -3.435 5.800 1.00 0.00 H new ATOM 0 HB ILE A 179 6.873 -4.203 7.781 1.00 0.00 H new ATOM 0 HG12 ILE A 179 6.473 -4.972 4.867 1.00 0.00 H new ATOM 0 HG13 ILE A 179 7.677 -3.843 5.457 1.00 0.00 H new ATOM 0 HG21 ILE A 179 6.011 -6.492 7.493 1.00 0.00 H new ATOM 0 HG22 ILE A 179 4.778 -5.409 8.179 1.00 0.00 H new ATOM 0 HG23 ILE A 179 4.703 -5.868 6.461 1.00 0.00 H new ATOM 0 HD11 ILE A 179 8.667 -6.041 5.037 1.00 0.00 H new ATOM 0 HD12 ILE A 179 8.741 -5.644 6.771 1.00 0.00 H new ATOM 0 HD13 ILE A 179 7.519 -6.790 6.171 1.00 0.00 H new ATOM 995 N MET A 180 5.113 -2.330 8.896 1.00 0.00 N ATOM 996 CA MET A 180 4.412 -1.986 10.127 1.00 0.00 C ATOM 997 C MET A 180 3.435 -0.837 9.894 1.00 0.00 C ATOM 998 O MET A 180 2.353 -0.801 10.481 1.00 0.00 O ATOM 999 CB MET A 180 5.418 -1.611 11.221 1.00 0.00 C ATOM 1000 CG MET A 180 4.784 -1.352 12.579 1.00 0.00 C ATOM 1001 SD MET A 180 4.157 0.330 12.750 1.00 0.00 S ATOM 1002 CE MET A 180 5.680 1.270 12.670 1.00 0.00 C ATOM 0 H MET A 180 6.106 -2.098 8.897 1.00 0.00 H new ATOM 0 HA MET A 180 3.843 -2.857 10.451 1.00 0.00 H new ATOM 0 HB2 MET A 180 6.149 -2.414 11.319 1.00 0.00 H new ATOM 0 HB3 MET A 180 5.963 -0.720 10.910 1.00 0.00 H new ATOM 0 HG2 MET A 180 3.967 -2.057 12.733 1.00 0.00 H new ATOM 0 HG3 MET A 180 5.520 -1.541 13.360 1.00 0.00 H new ATOM 0 HE1 MET A 180 5.553 2.215 13.198 1.00 0.00 H new ATOM 0 HE2 MET A 180 6.484 0.700 13.135 1.00 0.00 H new ATOM 0 HE3 MET A 180 5.931 1.468 11.628 1.00 0.00 H new ATOM 1012 N GLY A 181 3.824 0.098 9.033 1.00 0.00 N ATOM 1013 CA GLY A 181 2.971 1.236 8.736 1.00 0.00 C ATOM 1014 C GLY A 181 1.688 0.834 8.033 1.00 0.00 C ATOM 1015 O GLY A 181 0.628 1.406 8.289 1.00 0.00 O ATOM 0 H GLY A 181 4.714 0.089 8.535 1.00 0.00 H new ATOM 0 HA2 GLY A 181 2.726 1.754 9.663 1.00 0.00 H new ATOM 0 HA3 GLY A 181 3.518 1.942 8.111 1.00 0.00 H new ATOM 1019 N PHE A 182 1.784 -0.151 7.146 1.00 0.00 N ATOM 1020 CA PHE A 182 0.624 -0.629 6.403 1.00 0.00 C ATOM 1021 C PHE A 182 -0.222 -1.563 7.263 1.00 0.00 C ATOM 1022 O PHE A 182 -1.446 -1.604 7.133 1.00 0.00 O ATOM 1023 CB PHE A 182 1.070 -1.351 5.128 1.00 0.00 C ATOM 1024 CG PHE A 182 -0.069 -1.892 4.309 1.00 0.00 C ATOM 1025 CD1 PHE A 182 -0.824 -1.052 3.506 1.00 0.00 C ATOM 1026 CD2 PHE A 182 -0.380 -3.241 4.342 1.00 0.00 C ATOM 1027 CE1 PHE A 182 -1.871 -1.548 2.752 1.00 0.00 C ATOM 1028 CE2 PHE A 182 -1.426 -3.743 3.590 1.00 0.00 C ATOM 1029 CZ PHE A 182 -2.172 -2.896 2.794 1.00 0.00 C ATOM 0 H PHE A 182 2.654 -0.634 6.924 1.00 0.00 H new ATOM 0 HA PHE A 182 0.017 0.233 6.128 1.00 0.00 H new ATOM 0 HB2 PHE A 182 1.651 -0.662 4.515 1.00 0.00 H new ATOM 0 HB3 PHE A 182 1.733 -2.173 5.399 1.00 0.00 H new ATOM 0 HD1 PHE A 182 -0.592 0.002 3.469 1.00 0.00 H new ATOM 0 HD2 PHE A 182 0.201 -3.908 4.962 1.00 0.00 H new ATOM 0 HE1 PHE A 182 -2.453 -0.883 2.131 1.00 0.00 H new ATOM 0 HE2 PHE A 182 -1.660 -4.797 3.625 1.00 0.00 H new ATOM 0 HZ PHE A 182 -2.989 -3.286 2.205 1.00 0.00 H new ATOM 1039 N ASN A 183 0.440 -2.311 8.140 1.00 0.00 N ATOM 1040 CA ASN A 183 -0.249 -3.245 9.024 1.00 0.00 C ATOM 1041 C ASN A 183 -1.259 -2.516 9.904 1.00 0.00 C ATOM 1042 O ASN A 183 -2.219 -3.113 10.391 1.00 0.00 O ATOM 1043 CB ASN A 183 0.760 -3.995 9.896 1.00 0.00 C ATOM 1044 CG ASN A 183 0.101 -5.046 10.769 1.00 0.00 C ATOM 1045 OD1 ASN A 183 -0.915 -5.631 10.396 1.00 0.00 O ATOM 1046 ND2 ASN A 183 0.680 -5.291 11.940 1.00 0.00 N ATOM 0 H ASN A 183 1.453 -2.289 8.258 1.00 0.00 H new ATOM 0 HA ASN A 183 -0.786 -3.964 8.405 1.00 0.00 H new ATOM 0 HB2 ASN A 183 1.504 -4.471 9.258 1.00 0.00 H new ATOM 0 HB3 ASN A 183 1.291 -3.283 10.528 1.00 0.00 H new ATOM 0 HD21 ASN A 183 0.282 -5.988 12.570 1.00 0.00 H new ATOM 0 HD22 ASN A 183 1.522 -4.782 12.209 1.00 0.00 H new ATOM 1053 N THR A 184 -1.034 -1.221 10.106 1.00 0.00 N ATOM 1054 CA THR A 184 -1.925 -0.407 10.926 1.00 0.00 C ATOM 1055 C THR A 184 -2.835 0.456 10.059 1.00 0.00 C ATOM 1056 O THR A 184 -3.809 1.030 10.547 1.00 0.00 O ATOM 1057 CB THR A 184 -1.133 0.505 11.881 1.00 0.00 C ATOM 1058 OG1 THR A 184 -0.307 1.402 11.131 1.00 0.00 O ATOM 1059 CG2 THR A 184 -0.268 -0.316 12.826 1.00 0.00 C ATOM 0 H THR A 184 -0.242 -0.713 9.713 1.00 0.00 H new ATOM 0 HA THR A 184 -2.532 -1.097 11.512 1.00 0.00 H new ATOM 0 HB THR A 184 -1.847 1.077 12.473 1.00 0.00 H new ATOM 0 HG1 THR A 184 -0.332 1.155 10.183 1.00 0.00 H new ATOM 0 HG21 THR A 184 0.281 0.352 13.490 1.00 0.00 H new ATOM 0 HG22 THR A 184 -0.902 -0.976 13.418 1.00 0.00 H new ATOM 0 HG23 THR A 184 0.437 -0.913 12.248 1.00 0.00 H new ATOM 1067 N PHE A 185 -2.512 0.545 8.772 1.00 0.00 N ATOM 1068 CA PHE A 185 -3.302 1.340 7.838 1.00 0.00 C ATOM 1069 C PHE A 185 -4.545 0.574 7.390 1.00 0.00 C ATOM 1070 O PHE A 185 -5.489 1.160 6.860 1.00 0.00 O ATOM 1071 CB PHE A 185 -2.455 1.730 6.622 1.00 0.00 C ATOM 1072 CG PHE A 185 -3.172 2.619 5.643 1.00 0.00 C ATOM 1073 CD1 PHE A 185 -3.425 3.947 5.949 1.00 0.00 C ATOM 1074 CD2 PHE A 185 -3.590 2.125 4.418 1.00 0.00 C ATOM 1075 CE1 PHE A 185 -4.083 4.765 5.050 1.00 0.00 C ATOM 1076 CE2 PHE A 185 -4.249 2.938 3.515 1.00 0.00 C ATOM 1077 CZ PHE A 185 -4.495 4.261 3.832 1.00 0.00 C ATOM 0 H PHE A 185 -1.709 0.076 8.352 1.00 0.00 H new ATOM 0 HA PHE A 185 -3.623 2.247 8.350 1.00 0.00 H new ATOM 0 HB2 PHE A 185 -1.554 2.237 6.966 1.00 0.00 H new ATOM 0 HB3 PHE A 185 -2.134 0.824 6.108 1.00 0.00 H new ATOM 0 HD1 PHE A 185 -3.105 4.347 6.900 1.00 0.00 H new ATOM 0 HD2 PHE A 185 -3.399 1.092 4.166 1.00 0.00 H new ATOM 0 HE1 PHE A 185 -4.275 5.798 5.300 1.00 0.00 H new ATOM 0 HE2 PHE A 185 -4.571 2.541 2.564 1.00 0.00 H new ATOM 0 HZ PHE A 185 -5.009 4.899 3.128 1.00 0.00 H new ATOM 1087 N LEU A 186 -4.537 -0.738 7.611 1.00 0.00 N ATOM 1088 CA LEU A 186 -5.663 -1.587 7.232 1.00 0.00 C ATOM 1089 C LEU A 186 -6.957 -1.101 7.889 1.00 0.00 C ATOM 1090 O LEU A 186 -6.925 -0.510 8.969 1.00 0.00 O ATOM 1091 CB LEU A 186 -5.393 -3.041 7.629 1.00 0.00 C ATOM 1092 CG LEU A 186 -4.296 -3.743 6.826 1.00 0.00 C ATOM 1093 CD1 LEU A 186 -3.983 -5.103 7.431 1.00 0.00 C ATOM 1094 CD2 LEU A 186 -4.713 -3.891 5.370 1.00 0.00 C ATOM 0 H LEU A 186 -3.763 -1.236 8.051 1.00 0.00 H new ATOM 0 HA LEU A 186 -5.779 -1.529 6.150 1.00 0.00 H new ATOM 0 HB2 LEU A 186 -5.122 -3.068 8.684 1.00 0.00 H new ATOM 0 HB3 LEU A 186 -6.318 -3.608 7.522 1.00 0.00 H new ATOM 0 HG LEU A 186 -3.394 -3.132 6.865 1.00 0.00 H new ATOM 0 HD11 LEU A 186 -3.201 -5.589 6.848 1.00 0.00 H new ATOM 0 HD12 LEU A 186 -3.643 -4.975 8.459 1.00 0.00 H new ATOM 0 HD13 LEU A 186 -4.881 -5.721 7.420 1.00 0.00 H new ATOM 0 HD21 LEU A 186 -3.921 -4.392 4.814 1.00 0.00 H new ATOM 0 HD22 LEU A 186 -5.627 -4.482 5.312 1.00 0.00 H new ATOM 0 HD23 LEU A 186 -4.890 -2.905 4.940 1.00 0.00 H new