USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=15 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 Single : A 128 SER OG : rot 180:sc= -0.149 USER MOD Single : A 129 TYR OH : rot 23:sc= 1.05 USER MOD Single : A 132 GLN : amide:sc= -0.0292 X(o=-0.029,f=0) USER MOD Single : A 134 LYS NZ :NH3+ -168:sc= -0.0192 (180deg=-0.224) USER MOD Single : A 136 GLN : amide:sc= -1.3 K(o=-1.3,f=-4!) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 140 GLN : amide:sc= -1.22 K(o=-1.2,f=-2.4) USER MOD Single : A 142 GLN : amide:sc= -1.23! K(o=-1.2!,f=-0.0031) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 145 ASN : amide:sc= -0.587 K(o=-0.59,f=-2.8!) USER MOD Single : A 151 MET CE :methyl -158:sc= -0.692 (180deg=-2.23!) USER MOD Single : A 152 LYS NZ :NH3+ -164:sc= -0.0894 (180deg=-0.438) USER MOD Single : A 155 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0766) USER MOD Single : A 156 SER OG : rot 83:sc= 0.881 USER MOD Single : A 157 GLN : amide:sc= -0.84 K(o=-0.84,f=-5.2!) USER MOD Single : A 158 SER OG : rot -74:sc= 0.538 USER MOD Single : A 161 THR OG1 : rot 180:sc= 0 USER MOD Single : A 166 SER OG : rot 64:sc= 1.24 USER MOD Single : A 169 SER OG : rot 180:sc= 0 USER MOD Single : A 170 GLN : amide:sc= -1.04 K(o=-1,f=0) USER MOD Single : A 173 LYS NZ :NH3+ -163:sc= -0.059 (180deg=-0.377) USER MOD Single : A 175 HIS : no HD1:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 180 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 183 ASN : amide:sc= -1.05 K(o=-1,f=0) USER MOD Single : A 184 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 128 N ALA A 126 -5.728 9.146 3.440 1.00 0.00 N ATOM 129 CA ALA A 126 -5.283 8.050 2.588 1.00 0.00 C ATOM 130 C ALA A 126 -3.935 8.363 1.949 1.00 0.00 C ATOM 131 O ALA A 126 -3.212 7.459 1.531 1.00 0.00 O ATOM 132 CB ALA A 126 -6.316 7.762 1.509 1.00 0.00 C ATOM 0 HA ALA A 126 -5.168 7.166 3.215 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -5.968 6.941 0.882 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -7.262 7.487 1.975 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -6.459 8.652 0.896 1.00 0.00 H new ATOM 138 N LEU A 127 -3.602 9.647 1.881 1.00 0.00 N ATOM 139 CA LEU A 127 -2.344 10.073 1.282 1.00 0.00 C ATOM 140 C LEU A 127 -1.243 10.189 2.331 1.00 0.00 C ATOM 141 O LEU A 127 -0.115 10.567 2.017 1.00 0.00 O ATOM 142 CB LEU A 127 -2.526 11.412 0.564 1.00 0.00 C ATOM 143 CG LEU A 127 -1.624 11.620 -0.653 1.00 0.00 C ATOM 144 CD1 LEU A 127 -1.930 10.585 -1.726 1.00 0.00 C ATOM 145 CD2 LEU A 127 -1.789 13.028 -1.203 1.00 0.00 C ATOM 0 H LEU A 127 -4.183 10.408 2.232 1.00 0.00 H new ATOM 0 HA LEU A 127 -2.044 9.315 0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -3.565 11.499 0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -2.342 12.217 1.276 1.00 0.00 H new ATOM 0 HG LEU A 127 -0.587 11.493 -0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -1.279 10.748 -2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -1.760 9.585 -1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -2.971 10.680 -2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -1.140 13.159 -2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -2.826 13.183 -1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -1.520 13.753 -0.435 1.00 0.00 H new ATOM 157 N SER A 128 -1.575 9.862 3.575 1.00 0.00 N ATOM 158 CA SER A 128 -0.603 9.927 4.660 1.00 0.00 C ATOM 159 C SER A 128 0.447 8.832 4.501 1.00 0.00 C ATOM 160 O SER A 128 1.646 9.104 4.511 1.00 0.00 O ATOM 161 CB SER A 128 -1.300 9.793 6.016 1.00 0.00 C ATOM 162 OG SER A 128 -1.968 8.548 6.129 1.00 0.00 O ATOM 0 H SER A 128 -2.505 9.551 3.856 1.00 0.00 H new ATOM 0 HA SER A 128 -0.108 10.897 4.617 1.00 0.00 H new ATOM 0 HB2 SER A 128 -0.566 9.889 6.816 1.00 0.00 H new ATOM 0 HB3 SER A 128 -2.016 10.605 6.142 1.00 0.00 H new ATOM 0 HG SER A 128 -2.403 8.488 7.005 1.00 0.00 H new ATOM 168 N TYR A 129 -0.017 7.596 4.349 1.00 0.00 N ATOM 169 CA TYR A 129 0.877 6.456 4.182 1.00 0.00 C ATOM 170 C TYR A 129 1.477 6.434 2.779 1.00 0.00 C ATOM 171 O TYR A 129 2.657 6.131 2.605 1.00 0.00 O ATOM 172 CB TYR A 129 0.123 5.152 4.453 1.00 0.00 C ATOM 173 CG TYR A 129 0.950 3.909 4.213 1.00 0.00 C ATOM 174 CD1 TYR A 129 2.059 3.626 5.000 1.00 0.00 C ATOM 175 CD2 TYR A 129 0.620 3.018 3.199 1.00 0.00 C ATOM 176 CE1 TYR A 129 2.817 2.491 4.783 1.00 0.00 C ATOM 177 CE2 TYR A 129 1.373 1.881 2.976 1.00 0.00 C ATOM 178 CZ TYR A 129 2.470 1.622 3.769 1.00 0.00 C ATOM 179 OH TYR A 129 3.223 0.491 3.550 1.00 0.00 O ATOM 0 H TYR A 129 -1.009 7.358 4.338 1.00 0.00 H new ATOM 0 HA TYR A 129 1.692 6.553 4.900 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -0.225 5.152 5.486 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -0.763 5.116 3.818 1.00 0.00 H new ATOM 0 HD1 TYR A 129 2.333 4.304 5.795 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -0.239 3.217 2.575 1.00 0.00 H new ATOM 0 HE1 TYR A 129 3.676 2.285 5.404 1.00 0.00 H new ATOM 0 HE2 TYR A 129 1.103 1.198 2.184 1.00 0.00 H new ATOM 0 HH TYR A 129 3.706 0.256 4.370 1.00 0.00 H new ATOM 189 N LEU A 130 0.656 6.756 1.782 1.00 0.00 N ATOM 190 CA LEU A 130 1.110 6.774 0.394 1.00 0.00 C ATOM 191 C LEU A 130 2.306 7.706 0.227 1.00 0.00 C ATOM 192 O LEU A 130 3.274 7.374 -0.461 1.00 0.00 O ATOM 193 CB LEU A 130 -0.026 7.207 -0.535 1.00 0.00 C ATOM 194 CG LEU A 130 -1.201 6.230 -0.629 1.00 0.00 C ATOM 195 CD1 LEU A 130 -2.307 6.809 -1.496 1.00 0.00 C ATOM 196 CD2 LEU A 130 -0.740 4.888 -1.182 1.00 0.00 C ATOM 0 H LEU A 130 -0.324 7.007 1.909 1.00 0.00 H new ATOM 0 HA LEU A 130 1.419 5.764 0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -0.403 8.172 -0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 130 0.381 7.357 -1.535 1.00 0.00 H new ATOM 0 HG LEU A 130 -1.595 6.071 0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -3.134 6.101 -1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -2.659 7.744 -1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -1.923 6.997 -2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -1.590 4.208 -1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -0.319 5.030 -2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 130 0.019 4.465 -0.524 1.00 0.00 H new ATOM 208 N ASP A 131 2.232 8.873 0.860 1.00 0.00 N ATOM 209 CA ASP A 131 3.311 9.850 0.791 1.00 0.00 C ATOM 210 C ASP A 131 4.599 9.255 1.349 1.00 0.00 C ATOM 211 O ASP A 131 5.687 9.500 0.828 1.00 0.00 O ATOM 212 CB ASP A 131 2.936 11.113 1.568 1.00 0.00 C ATOM 213 CG ASP A 131 4.064 12.125 1.609 1.00 0.00 C ATOM 214 OD1 ASP A 131 4.893 12.053 2.542 1.00 0.00 O ATOM 215 OD2 ASP A 131 4.119 12.990 0.709 1.00 0.00 O ATOM 0 H ASP A 131 1.435 9.164 1.426 1.00 0.00 H new ATOM 0 HA ASP A 131 3.471 10.116 -0.254 1.00 0.00 H new ATOM 0 HB2 ASP A 131 2.058 11.570 1.111 1.00 0.00 H new ATOM 0 HB3 ASP A 131 2.659 10.841 2.586 1.00 0.00 H new ATOM 220 N GLN A 132 4.461 8.468 2.413 1.00 0.00 N ATOM 221 CA GLN A 132 5.602 7.824 3.047 1.00 0.00 C ATOM 222 C GLN A 132 6.272 6.843 2.092 1.00 0.00 C ATOM 223 O GLN A 132 7.497 6.823 1.966 1.00 0.00 O ATOM 224 CB GLN A 132 5.150 7.099 4.314 1.00 0.00 C ATOM 225 CG GLN A 132 4.481 8.015 5.322 1.00 0.00 C ATOM 226 CD GLN A 132 5.461 8.954 6.000 1.00 0.00 C ATOM 227 OE1 GLN A 132 6.021 8.635 7.049 1.00 0.00 O ATOM 228 NE2 GLN A 132 5.677 10.119 5.399 1.00 0.00 N ATOM 0 H GLN A 132 3.565 8.262 2.854 1.00 0.00 H new ATOM 0 HA GLN A 132 6.329 8.592 3.312 1.00 0.00 H new ATOM 0 HB2 GLN A 132 4.458 6.303 4.041 1.00 0.00 H new ATOM 0 HB3 GLN A 132 6.013 6.625 4.781 1.00 0.00 H new ATOM 0 HG2 GLN A 132 3.711 8.601 4.820 1.00 0.00 H new ATOM 0 HG3 GLN A 132 3.980 7.411 6.079 1.00 0.00 H new ATOM 0 HE21 GLN A 132 5.191 10.343 4.530 1.00 0.00 H new ATOM 0 HE22 GLN A 132 6.329 10.790 5.806 1.00 0.00 H new ATOM 237 N VAL A 133 5.462 6.031 1.418 1.00 0.00 N ATOM 238 CA VAL A 133 5.979 5.051 0.469 1.00 0.00 C ATOM 239 C VAL A 133 6.789 5.733 -0.626 1.00 0.00 C ATOM 240 O VAL A 133 7.908 5.320 -0.934 1.00 0.00 O ATOM 241 CB VAL A 133 4.845 4.240 -0.186 1.00 0.00 C ATOM 242 CG1 VAL A 133 5.418 3.141 -1.068 1.00 0.00 C ATOM 243 CG2 VAL A 133 3.918 3.660 0.871 1.00 0.00 C ATOM 0 H VAL A 133 4.446 6.033 1.512 1.00 0.00 H new ATOM 0 HA VAL A 133 6.618 4.373 1.034 1.00 0.00 H new ATOM 0 HB VAL A 133 4.260 4.911 -0.814 1.00 0.00 H new ATOM 0 HG11 VAL A 133 4.603 2.578 -1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 133 6.033 3.586 -1.850 1.00 0.00 H new ATOM 0 HG13 VAL A 133 6.029 2.471 -0.463 1.00 0.00 H new ATOM 0 HG21 VAL A 133 3.124 3.091 0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 133 4.485 3.003 1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 133 3.480 4.470 1.454 1.00 0.00 H new ATOM 253 N LYS A 134 6.214 6.777 -1.212 1.00 0.00 N ATOM 254 CA LYS A 134 6.881 7.519 -2.275 1.00 0.00 C ATOM 255 C LYS A 134 8.080 8.290 -1.729 1.00 0.00 C ATOM 256 O LYS A 134 9.016 8.604 -2.464 1.00 0.00 O ATOM 257 CB LYS A 134 5.898 8.484 -2.944 1.00 0.00 C ATOM 258 CG LYS A 134 6.474 9.201 -4.153 1.00 0.00 C ATOM 259 CD LYS A 134 5.463 10.156 -4.770 1.00 0.00 C ATOM 260 CE LYS A 134 6.028 10.849 -6.000 1.00 0.00 C ATOM 261 NZ LYS A 134 7.249 11.638 -5.680 1.00 0.00 N ATOM 0 H LYS A 134 5.288 7.129 -0.969 1.00 0.00 H new ATOM 0 HA LYS A 134 7.239 6.805 -3.016 1.00 0.00 H new ATOM 0 HB2 LYS A 134 5.010 7.930 -3.250 1.00 0.00 H new ATOM 0 HB3 LYS A 134 5.575 9.225 -2.213 1.00 0.00 H new ATOM 0 HG2 LYS A 134 7.366 9.754 -3.858 1.00 0.00 H new ATOM 0 HG3 LYS A 134 6.785 8.468 -4.898 1.00 0.00 H new ATOM 0 HD2 LYS A 134 4.562 9.607 -5.043 1.00 0.00 H new ATOM 0 HD3 LYS A 134 5.170 10.903 -4.033 1.00 0.00 H new ATOM 0 HE2 LYS A 134 6.266 10.104 -6.759 1.00 0.00 H new ATOM 0 HE3 LYS A 134 5.271 11.508 -6.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 7.486 12.252 -6.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 7.074 12.223 -4.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 8.041 10.991 -5.493 1.00 0.00 H new ATOM 275 N LEU A 135 8.046 8.588 -0.433 1.00 0.00 N ATOM 276 CA LEU A 135 9.129 9.322 0.213 1.00 0.00 C ATOM 277 C LEU A 135 10.395 8.473 0.297 1.00 0.00 C ATOM 278 O LEU A 135 11.472 8.904 -0.116 1.00 0.00 O ATOM 279 CB LEU A 135 8.704 9.773 1.612 1.00 0.00 C ATOM 280 CG LEU A 135 9.735 10.614 2.369 1.00 0.00 C ATOM 281 CD1 LEU A 135 9.978 11.934 1.655 1.00 0.00 C ATOM 282 CD2 LEU A 135 9.276 10.856 3.799 1.00 0.00 C ATOM 0 H LEU A 135 7.280 8.332 0.190 1.00 0.00 H new ATOM 0 HA LEU A 135 9.348 10.201 -0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 135 7.782 10.349 1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 135 8.473 8.889 2.206 1.00 0.00 H new ATOM 0 HG LEU A 135 10.675 10.063 2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 135 10.714 12.517 2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 135 10.351 11.740 0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 135 9.044 12.492 1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 135 10.020 11.455 4.323 1.00 0.00 H new ATOM 0 HD22 LEU A 135 8.324 11.386 3.791 1.00 0.00 H new ATOM 0 HD23 LEU A 135 9.155 9.900 4.309 1.00 0.00 H new ATOM 294 N GLN A 136 10.258 7.263 0.835 1.00 0.00 N ATOM 295 CA GLN A 136 11.391 6.354 0.974 1.00 0.00 C ATOM 296 C GLN A 136 11.833 5.820 -0.386 1.00 0.00 C ATOM 297 O GLN A 136 12.995 5.458 -0.573 1.00 0.00 O ATOM 298 CB GLN A 136 11.033 5.188 1.899 1.00 0.00 C ATOM 299 CG GLN A 136 11.092 5.538 3.378 1.00 0.00 C ATOM 300 CD GLN A 136 10.099 6.615 3.767 1.00 0.00 C ATOM 301 OE1 GLN A 136 10.406 7.806 3.717 1.00 0.00 O ATOM 302 NE2 GLN A 136 8.902 6.201 4.164 1.00 0.00 N ATOM 0 H GLN A 136 9.374 6.890 1.181 1.00 0.00 H new ATOM 0 HA GLN A 136 12.217 6.914 1.412 1.00 0.00 H new ATOM 0 HB2 GLN A 136 10.029 4.840 1.657 1.00 0.00 H new ATOM 0 HB3 GLN A 136 11.714 4.359 1.704 1.00 0.00 H new ATOM 0 HG2 GLN A 136 10.898 4.641 3.967 1.00 0.00 H new ATOM 0 HG3 GLN A 136 12.099 5.872 3.628 1.00 0.00 H new ATOM 0 HE21 GLN A 136 8.690 5.204 4.190 1.00 0.00 H new ATOM 0 HE22 GLN A 136 8.194 6.880 4.443 1.00 0.00 H new ATOM 311 N PHE A 137 10.900 5.775 -1.332 1.00 0.00 N ATOM 312 CA PHE A 137 11.193 5.286 -2.674 1.00 0.00 C ATOM 313 C PHE A 137 10.842 6.333 -3.725 1.00 0.00 C ATOM 314 O PHE A 137 9.672 6.521 -4.062 1.00 0.00 O ATOM 315 CB PHE A 137 10.426 3.991 -2.947 1.00 0.00 C ATOM 316 CG PHE A 137 10.775 2.877 -2.003 1.00 0.00 C ATOM 317 CD1 PHE A 137 11.807 2.000 -2.297 1.00 0.00 C ATOM 318 CD2 PHE A 137 10.073 2.707 -0.821 1.00 0.00 C ATOM 319 CE1 PHE A 137 12.133 0.976 -1.428 1.00 0.00 C ATOM 320 CE2 PHE A 137 10.394 1.684 0.052 1.00 0.00 C ATOM 321 CZ PHE A 137 11.425 0.816 -0.253 1.00 0.00 C ATOM 0 H PHE A 137 9.934 6.072 -1.193 1.00 0.00 H new ATOM 0 HA PHE A 137 12.263 5.085 -2.734 1.00 0.00 H new ATOM 0 HB2 PHE A 137 9.357 4.191 -2.881 1.00 0.00 H new ATOM 0 HB3 PHE A 137 10.627 3.667 -3.968 1.00 0.00 H new ATOM 0 HD1 PHE A 137 12.363 2.118 -3.215 1.00 0.00 H new ATOM 0 HD2 PHE A 137 9.265 3.382 -0.578 1.00 0.00 H new ATOM 0 HE1 PHE A 137 12.941 0.301 -1.668 1.00 0.00 H new ATOM 0 HE2 PHE A 137 9.840 1.563 0.971 1.00 0.00 H new ATOM 0 HZ PHE A 137 11.677 0.014 0.426 1.00 0.00 H new ATOM 331 N GLY A 138 11.864 7.013 -4.239 1.00 0.00 N ATOM 332 CA GLY A 138 11.645 8.034 -5.246 1.00 0.00 C ATOM 333 C GLY A 138 12.367 7.735 -6.545 1.00 0.00 C ATOM 334 O GLY A 138 12.021 8.279 -7.594 1.00 0.00 O ATOM 0 H GLY A 138 12.839 6.874 -3.975 1.00 0.00 H new ATOM 0 HA2 GLY A 138 10.576 8.124 -5.441 1.00 0.00 H new ATOM 0 HA3 GLY A 138 11.981 8.997 -4.861 1.00 0.00 H new ATOM 338 N SER A 139 13.373 6.870 -6.475 1.00 0.00 N ATOM 339 CA SER A 139 14.145 6.499 -7.655 1.00 0.00 C ATOM 340 C SER A 139 13.629 5.195 -8.254 1.00 0.00 C ATOM 341 O SER A 139 14.034 4.802 -9.348 1.00 0.00 O ATOM 342 CB SER A 139 15.626 6.358 -7.301 1.00 0.00 C ATOM 343 OG SER A 139 16.155 7.586 -6.829 1.00 0.00 O ATOM 0 H SER A 139 13.673 6.413 -5.614 1.00 0.00 H new ATOM 0 HA SER A 139 14.030 7.291 -8.395 1.00 0.00 H new ATOM 0 HB2 SER A 139 15.750 5.588 -6.539 1.00 0.00 H new ATOM 0 HB3 SER A 139 16.184 6.031 -8.179 1.00 0.00 H new ATOM 0 HG SER A 139 17.103 7.470 -6.607 1.00 0.00 H new ATOM 349 N GLN A 140 12.736 4.529 -7.529 1.00 0.00 N ATOM 350 CA GLN A 140 12.163 3.270 -7.992 1.00 0.00 C ATOM 351 C GLN A 140 10.662 3.417 -8.247 1.00 0.00 C ATOM 352 O GLN A 140 9.849 3.171 -7.356 1.00 0.00 O ATOM 353 CB GLN A 140 12.414 2.158 -6.969 1.00 0.00 C ATOM 354 CG GLN A 140 13.881 1.788 -6.811 1.00 0.00 C ATOM 355 CD GLN A 140 14.696 2.881 -6.147 1.00 0.00 C ATOM 356 OE1 GLN A 140 14.183 3.644 -5.328 1.00 0.00 O ATOM 357 NE2 GLN A 140 15.976 2.963 -6.496 1.00 0.00 N ATOM 0 H GLN A 140 12.394 4.840 -6.620 1.00 0.00 H new ATOM 0 HA GLN A 140 12.650 3.003 -8.930 1.00 0.00 H new ATOM 0 HB2 GLN A 140 12.022 2.472 -6.002 1.00 0.00 H new ATOM 0 HB3 GLN A 140 11.855 1.271 -7.267 1.00 0.00 H new ATOM 0 HG2 GLN A 140 13.959 0.874 -6.222 1.00 0.00 H new ATOM 0 HG3 GLN A 140 14.304 1.571 -7.792 1.00 0.00 H new ATOM 0 HE21 GLN A 140 16.361 2.311 -7.179 1.00 0.00 H new ATOM 0 HE22 GLN A 140 16.573 3.678 -6.081 1.00 0.00 H new ATOM 366 N PRO A 141 10.275 3.829 -9.470 1.00 0.00 N ATOM 367 CA PRO A 141 8.864 4.003 -9.832 1.00 0.00 C ATOM 368 C PRO A 141 8.146 2.668 -10.001 1.00 0.00 C ATOM 369 O PRO A 141 6.919 2.620 -10.095 1.00 0.00 O ATOM 370 CB PRO A 141 8.929 4.746 -11.167 1.00 0.00 C ATOM 371 CG PRO A 141 10.239 4.352 -11.753 1.00 0.00 C ATOM 372 CD PRO A 141 11.176 4.159 -10.592 1.00 0.00 C ATOM 0 HA PRO A 141 8.306 4.534 -9.061 1.00 0.00 H new ATOM 0 HB2 PRO A 141 8.102 4.463 -11.819 1.00 0.00 H new ATOM 0 HB3 PRO A 141 8.867 5.825 -11.024 1.00 0.00 H new ATOM 0 HG2 PRO A 141 10.145 3.435 -12.335 1.00 0.00 H new ATOM 0 HG3 PRO A 141 10.610 5.122 -12.429 1.00 0.00 H new ATOM 0 HD2 PRO A 141 11.890 3.358 -10.782 1.00 0.00 H new ATOM 0 HD3 PRO A 141 11.755 5.060 -10.390 1.00 0.00 H new ATOM 380 N GLN A 142 8.922 1.590 -10.040 1.00 0.00 N ATOM 381 CA GLN A 142 8.368 0.250 -10.198 1.00 0.00 C ATOM 382 C GLN A 142 7.694 -0.213 -8.911 1.00 0.00 C ATOM 383 O GLN A 142 6.753 -1.006 -8.941 1.00 0.00 O ATOM 384 CB GLN A 142 9.470 -0.735 -10.592 1.00 0.00 C ATOM 385 CG GLN A 142 10.179 -0.368 -11.885 1.00 0.00 C ATOM 386 CD GLN A 142 11.338 -1.295 -12.203 1.00 0.00 C ATOM 387 OE1 GLN A 142 11.649 -1.540 -13.368 1.00 0.00 O ATOM 388 NE2 GLN A 142 11.987 -1.813 -11.165 1.00 0.00 N ATOM 0 H GLN A 142 9.939 1.618 -9.964 1.00 0.00 H new ATOM 0 HA GLN A 142 7.619 0.283 -10.989 1.00 0.00 H new ATOM 0 HB2 GLN A 142 10.203 -0.788 -9.787 1.00 0.00 H new ATOM 0 HB3 GLN A 142 9.037 -1.730 -10.694 1.00 0.00 H new ATOM 0 HG2 GLN A 142 9.463 -0.394 -12.707 1.00 0.00 H new ATOM 0 HG3 GLN A 142 10.547 0.656 -11.815 1.00 0.00 H new ATOM 0 HE21 GLN A 142 11.696 -1.583 -10.215 1.00 0.00 H new ATOM 0 HE22 GLN A 142 12.776 -2.440 -11.319 1.00 0.00 H new ATOM 397 N VAL A 143 8.183 0.287 -7.780 1.00 0.00 N ATOM 398 CA VAL A 143 7.629 -0.076 -6.482 1.00 0.00 C ATOM 399 C VAL A 143 6.296 0.625 -6.238 1.00 0.00 C ATOM 400 O VAL A 143 5.338 0.010 -5.770 1.00 0.00 O ATOM 401 CB VAL A 143 8.600 0.280 -5.340 1.00 0.00 C ATOM 402 CG1 VAL A 143 8.048 -0.186 -4.002 1.00 0.00 C ATOM 403 CG2 VAL A 143 9.974 -0.321 -5.599 1.00 0.00 C ATOM 0 H VAL A 143 8.962 0.944 -7.737 1.00 0.00 H new ATOM 0 HA VAL A 143 7.472 -1.155 -6.494 1.00 0.00 H new ATOM 0 HB VAL A 143 8.705 1.364 -5.303 1.00 0.00 H new ATOM 0 HG11 VAL A 143 8.748 0.075 -3.209 1.00 0.00 H new ATOM 0 HG12 VAL A 143 7.090 0.299 -3.815 1.00 0.00 H new ATOM 0 HG13 VAL A 143 7.909 -1.267 -4.022 1.00 0.00 H new ATOM 0 HG21 VAL A 143 10.646 -0.059 -4.782 1.00 0.00 H new ATOM 0 HG22 VAL A 143 9.890 -1.406 -5.666 1.00 0.00 H new ATOM 0 HG23 VAL A 143 10.372 0.070 -6.535 1.00 0.00 H new ATOM 413 N TYR A 144 6.243 1.914 -6.561 1.00 0.00 N ATOM 414 CA TYR A 144 5.027 2.697 -6.377 1.00 0.00 C ATOM 415 C TYR A 144 3.922 2.210 -7.308 1.00 0.00 C ATOM 416 O TYR A 144 2.780 2.021 -6.886 1.00 0.00 O ATOM 417 CB TYR A 144 5.306 4.181 -6.626 1.00 0.00 C ATOM 418 CG TYR A 144 4.183 5.092 -6.186 1.00 0.00 C ATOM 419 CD1 TYR A 144 3.941 5.326 -4.838 1.00 0.00 C ATOM 420 CD2 TYR A 144 3.365 5.718 -7.118 1.00 0.00 C ATOM 421 CE1 TYR A 144 2.916 6.159 -4.431 1.00 0.00 C ATOM 422 CE2 TYR A 144 2.338 6.552 -6.718 1.00 0.00 C ATOM 423 CZ TYR A 144 2.118 6.769 -5.374 1.00 0.00 C ATOM 424 OH TYR A 144 1.098 7.599 -4.972 1.00 0.00 O ATOM 0 H TYR A 144 7.027 2.437 -6.951 1.00 0.00 H new ATOM 0 HA TYR A 144 4.693 2.567 -5.348 1.00 0.00 H new ATOM 0 HB2 TYR A 144 6.218 4.463 -6.100 1.00 0.00 H new ATOM 0 HB3 TYR A 144 5.490 4.334 -7.689 1.00 0.00 H new ATOM 0 HD1 TYR A 144 4.564 4.849 -4.096 1.00 0.00 H new ATOM 0 HD2 TYR A 144 3.534 5.550 -8.171 1.00 0.00 H new ATOM 0 HE1 TYR A 144 2.741 6.331 -3.379 1.00 0.00 H new ATOM 0 HE2 TYR A 144 1.711 7.032 -7.455 1.00 0.00 H new ATOM 0 HH TYR A 144 0.632 7.949 -5.760 1.00 0.00 H new ATOM 434 N ASN A 145 4.268 2.006 -8.577 1.00 0.00 N ATOM 435 CA ASN A 145 3.303 1.537 -9.564 1.00 0.00 C ATOM 436 C ASN A 145 2.744 0.176 -9.161 1.00 0.00 C ATOM 437 O ASN A 145 1.528 -0.007 -9.078 1.00 0.00 O ATOM 438 CB ASN A 145 3.954 1.451 -10.947 1.00 0.00 C ATOM 439 CG ASN A 145 2.944 1.194 -12.049 1.00 0.00 C ATOM 440 OD1 ASN A 145 1.909 0.565 -11.828 1.00 0.00 O ATOM 441 ND2 ASN A 145 3.242 1.681 -13.248 1.00 0.00 N ATOM 0 H ASN A 145 5.208 2.158 -8.944 1.00 0.00 H new ATOM 0 HA ASN A 145 2.481 2.252 -9.607 1.00 0.00 H new ATOM 0 HB2 ASN A 145 4.484 2.381 -11.154 1.00 0.00 H new ATOM 0 HB3 ASN A 145 4.697 0.654 -10.946 1.00 0.00 H new ATOM 0 HD21 ASN A 145 2.602 1.539 -14.029 1.00 0.00 H new ATOM 0 HD22 ASN A 145 4.111 2.197 -13.387 1.00 0.00 H new ATOM 448 N ASP A 146 3.642 -0.773 -8.906 1.00 0.00 N ATOM 449 CA ASP A 146 3.242 -2.117 -8.504 1.00 0.00 C ATOM 450 C ASP A 146 2.353 -2.065 -7.267 1.00 0.00 C ATOM 451 O ASP A 146 1.400 -2.835 -7.141 1.00 0.00 O ATOM 452 CB ASP A 146 4.476 -2.979 -8.228 1.00 0.00 C ATOM 453 CG ASP A 146 4.117 -4.365 -7.729 1.00 0.00 C ATOM 454 OD1 ASP A 146 3.851 -5.248 -8.571 1.00 0.00 O ATOM 455 OD2 ASP A 146 4.101 -4.567 -6.497 1.00 0.00 O ATOM 0 H ASP A 146 4.651 -0.635 -8.971 1.00 0.00 H new ATOM 0 HA ASP A 146 2.675 -2.564 -9.321 1.00 0.00 H new ATOM 0 HB2 ASP A 146 5.065 -3.066 -9.141 1.00 0.00 H new ATOM 0 HB3 ASP A 146 5.104 -2.482 -7.489 1.00 0.00 H new ATOM 460 N PHE A 147 2.672 -1.151 -6.355 1.00 0.00 N ATOM 461 CA PHE A 147 1.899 -0.991 -5.129 1.00 0.00 C ATOM 462 C PHE A 147 0.476 -0.550 -5.451 1.00 0.00 C ATOM 463 O PHE A 147 -0.483 -1.004 -4.827 1.00 0.00 O ATOM 464 CB PHE A 147 2.570 0.028 -4.205 1.00 0.00 C ATOM 465 CG PHE A 147 1.859 0.219 -2.895 1.00 0.00 C ATOM 466 CD1 PHE A 147 2.100 -0.633 -1.829 1.00 0.00 C ATOM 467 CD2 PHE A 147 0.950 1.251 -2.729 1.00 0.00 C ATOM 468 CE1 PHE A 147 1.450 -0.458 -0.622 1.00 0.00 C ATOM 469 CE2 PHE A 147 0.295 1.430 -1.524 1.00 0.00 C ATOM 470 CZ PHE A 147 0.546 0.574 -0.470 1.00 0.00 C ATOM 0 H PHE A 147 3.461 -0.510 -6.443 1.00 0.00 H new ATOM 0 HA PHE A 147 1.859 -1.953 -4.619 1.00 0.00 H new ATOM 0 HB2 PHE A 147 3.593 -0.292 -4.009 1.00 0.00 H new ATOM 0 HB3 PHE A 147 2.629 0.987 -4.719 1.00 0.00 H new ATOM 0 HD1 PHE A 147 2.804 -1.444 -1.943 1.00 0.00 H new ATOM 0 HD2 PHE A 147 0.750 1.924 -3.550 1.00 0.00 H new ATOM 0 HE1 PHE A 147 1.649 -1.128 0.201 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -0.412 2.238 -1.408 1.00 0.00 H new ATOM 0 HZ PHE A 147 0.036 0.712 0.472 1.00 0.00 H new ATOM 480 N LEU A 148 0.348 0.341 -6.431 1.00 0.00 N ATOM 481 CA LEU A 148 -0.959 0.840 -6.842 1.00 0.00 C ATOM 482 C LEU A 148 -1.806 -0.284 -7.426 1.00 0.00 C ATOM 483 O LEU A 148 -3.007 -0.364 -7.170 1.00 0.00 O ATOM 484 CB LEU A 148 -0.802 1.963 -7.870 1.00 0.00 C ATOM 485 CG LEU A 148 -0.175 3.252 -7.337 1.00 0.00 C ATOM 486 CD1 LEU A 148 0.101 4.222 -8.475 1.00 0.00 C ATOM 487 CD2 LEU A 148 -1.082 3.894 -6.297 1.00 0.00 C ATOM 0 H LEU A 148 1.132 0.731 -6.954 1.00 0.00 H new ATOM 0 HA LEU A 148 -1.464 1.235 -5.960 1.00 0.00 H new ATOM 0 HB2 LEU A 148 -0.192 1.596 -8.695 1.00 0.00 H new ATOM 0 HB3 LEU A 148 -1.784 2.198 -8.280 1.00 0.00 H new ATOM 0 HG LEU A 148 0.773 3.003 -6.861 1.00 0.00 H new ATOM 0 HD11 LEU A 148 0.547 5.133 -8.076 1.00 0.00 H new ATOM 0 HD12 LEU A 148 0.788 3.763 -9.186 1.00 0.00 H new ATOM 0 HD13 LEU A 148 -0.834 4.466 -8.980 1.00 0.00 H new ATOM 0 HD21 LEU A 148 -0.621 4.810 -5.928 1.00 0.00 H new ATOM 0 HD22 LEU A 148 -2.045 4.129 -6.750 1.00 0.00 H new ATOM 0 HD23 LEU A 148 -1.230 3.203 -5.467 1.00 0.00 H new ATOM 499 N ASP A 149 -1.173 -1.147 -8.215 1.00 0.00 N ATOM 500 CA ASP A 149 -1.870 -2.270 -8.833 1.00 0.00 C ATOM 501 C ASP A 149 -2.432 -3.213 -7.774 1.00 0.00 C ATOM 502 O ASP A 149 -3.624 -3.517 -7.769 1.00 0.00 O ATOM 503 CB ASP A 149 -0.925 -3.039 -9.759 1.00 0.00 C ATOM 504 CG ASP A 149 -0.390 -2.181 -10.889 1.00 0.00 C ATOM 505 OD1 ASP A 149 -1.173 -1.854 -11.806 1.00 0.00 O ATOM 506 OD2 ASP A 149 0.811 -1.842 -10.860 1.00 0.00 O ATOM 0 H ASP A 149 -0.180 -1.090 -8.441 1.00 0.00 H new ATOM 0 HA ASP A 149 -2.698 -1.870 -9.417 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -0.090 -3.429 -9.177 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -1.451 -3.897 -10.177 1.00 0.00 H new ATOM 511 N ILE A 150 -1.565 -3.673 -6.880 1.00 0.00 N ATOM 512 CA ILE A 150 -1.971 -4.585 -5.818 1.00 0.00 C ATOM 513 C ILE A 150 -3.103 -3.996 -4.982 1.00 0.00 C ATOM 514 O ILE A 150 -4.084 -4.677 -4.677 1.00 0.00 O ATOM 515 CB ILE A 150 -0.787 -4.921 -4.890 1.00 0.00 C ATOM 516 CG1 ILE A 150 0.375 -5.500 -5.701 1.00 0.00 C ATOM 517 CG2 ILE A 150 -1.223 -5.895 -3.805 1.00 0.00 C ATOM 518 CD1 ILE A 150 1.640 -5.702 -4.894 1.00 0.00 C ATOM 0 H ILE A 150 -0.575 -3.429 -6.870 1.00 0.00 H new ATOM 0 HA ILE A 150 -2.321 -5.497 -6.302 1.00 0.00 H new ATOM 0 HB ILE A 150 -0.448 -4.003 -4.410 1.00 0.00 H new ATOM 0 HG12 ILE A 150 0.069 -6.456 -6.126 1.00 0.00 H new ATOM 0 HG13 ILE A 150 0.590 -4.834 -6.537 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -0.376 -6.122 -3.158 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -2.021 -5.447 -3.213 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -1.585 -6.814 -4.265 1.00 0.00 H new ATOM 0 HD11 ILE A 150 2.419 -6.115 -5.535 1.00 0.00 H new ATOM 0 HD12 ILE A 150 1.971 -4.745 -4.491 1.00 0.00 H new ATOM 0 HD13 ILE A 150 1.442 -6.392 -4.074 1.00 0.00 H new ATOM 530 N MET A 151 -2.963 -2.725 -4.619 1.00 0.00 N ATOM 531 CA MET A 151 -3.967 -2.046 -3.809 1.00 0.00 C ATOM 532 C MET A 151 -5.292 -1.923 -4.556 1.00 0.00 C ATOM 533 O MET A 151 -6.361 -2.065 -3.961 1.00 0.00 O ATOM 534 CB MET A 151 -3.468 -0.657 -3.398 1.00 0.00 C ATOM 535 CG MET A 151 -4.407 0.082 -2.455 1.00 0.00 C ATOM 536 SD MET A 151 -3.954 -0.105 -0.718 1.00 0.00 S ATOM 537 CE MET A 151 -4.315 -1.838 -0.445 1.00 0.00 C ATOM 0 H MET A 151 -2.164 -2.145 -4.873 1.00 0.00 H new ATOM 0 HA MET A 151 -4.135 -2.646 -2.915 1.00 0.00 H new ATOM 0 HB2 MET A 151 -2.494 -0.759 -2.919 1.00 0.00 H new ATOM 0 HB3 MET A 151 -3.321 -0.055 -4.294 1.00 0.00 H new ATOM 0 HG2 MET A 151 -4.411 1.141 -2.712 1.00 0.00 H new ATOM 0 HG3 MET A 151 -5.423 -0.285 -2.601 1.00 0.00 H new ATOM 0 HE1 MET A 151 -4.465 -2.015 0.620 1.00 0.00 H new ATOM 0 HE2 MET A 151 -5.219 -2.112 -0.990 1.00 0.00 H new ATOM 0 HE3 MET A 151 -3.481 -2.444 -0.799 1.00 0.00 H new ATOM 547 N LYS A 152 -5.222 -1.664 -5.860 1.00 0.00 N ATOM 548 CA LYS A 152 -6.427 -1.519 -6.669 1.00 0.00 C ATOM 549 C LYS A 152 -7.164 -2.852 -6.780 1.00 0.00 C ATOM 550 O LYS A 152 -8.391 -2.888 -6.871 1.00 0.00 O ATOM 551 CB LYS A 152 -6.085 -0.971 -8.061 1.00 0.00 C ATOM 552 CG LYS A 152 -5.980 -2.035 -9.144 1.00 0.00 C ATOM 553 CD LYS A 152 -5.532 -1.441 -10.469 1.00 0.00 C ATOM 554 CE LYS A 152 -6.603 -0.545 -11.075 1.00 0.00 C ATOM 555 NZ LYS A 152 -7.865 -1.290 -11.337 1.00 0.00 N ATOM 0 H LYS A 152 -4.349 -1.551 -6.375 1.00 0.00 H new ATOM 0 HA LYS A 152 -7.085 -0.804 -6.175 1.00 0.00 H new ATOM 0 HB2 LYS A 152 -6.847 -0.248 -8.351 1.00 0.00 H new ATOM 0 HB3 LYS A 152 -5.139 -0.432 -8.004 1.00 0.00 H new ATOM 0 HG2 LYS A 152 -5.274 -2.804 -8.832 1.00 0.00 H new ATOM 0 HG3 LYS A 152 -6.947 -2.522 -9.271 1.00 0.00 H new ATOM 0 HD2 LYS A 152 -4.618 -0.866 -10.320 1.00 0.00 H new ATOM 0 HD3 LYS A 152 -5.293 -2.244 -11.166 1.00 0.00 H new ATOM 0 HE2 LYS A 152 -6.805 0.287 -10.400 1.00 0.00 H new ATOM 0 HE3 LYS A 152 -6.234 -0.117 -12.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 -8.465 -0.739 -11.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 -7.642 -2.209 -11.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 -8.370 -1.443 -10.441 1.00 0.00 H new ATOM 569 N GLU A 153 -6.405 -3.945 -6.777 1.00 0.00 N ATOM 570 CA GLU A 153 -6.990 -5.278 -6.868 1.00 0.00 C ATOM 571 C GLU A 153 -7.735 -5.624 -5.584 1.00 0.00 C ATOM 572 O GLU A 153 -8.867 -6.106 -5.622 1.00 0.00 O ATOM 573 CB GLU A 153 -5.905 -6.322 -7.141 1.00 0.00 C ATOM 574 CG GLU A 153 -5.263 -6.191 -8.512 1.00 0.00 C ATOM 575 CD GLU A 153 -4.181 -7.226 -8.749 1.00 0.00 C ATOM 576 OE1 GLU A 153 -4.524 -8.380 -9.080 1.00 0.00 O ATOM 577 OE2 GLU A 153 -2.989 -6.884 -8.599 1.00 0.00 O ATOM 0 H GLU A 153 -5.387 -3.933 -6.713 1.00 0.00 H new ATOM 0 HA GLU A 153 -7.699 -5.283 -7.696 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -5.131 -6.237 -6.378 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -6.339 -7.317 -7.046 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -6.030 -6.290 -9.280 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -4.836 -5.194 -8.616 1.00 0.00 H new ATOM 584 N PHE A 154 -7.092 -5.374 -4.446 1.00 0.00 N ATOM 585 CA PHE A 154 -7.699 -5.655 -3.148 1.00 0.00 C ATOM 586 C PHE A 154 -8.922 -4.772 -2.921 1.00 0.00 C ATOM 587 O PHE A 154 -9.891 -5.188 -2.285 1.00 0.00 O ATOM 588 CB PHE A 154 -6.681 -5.444 -2.025 1.00 0.00 C ATOM 589 CG PHE A 154 -7.247 -5.662 -0.649 1.00 0.00 C ATOM 590 CD1 PHE A 154 -7.435 -6.944 -0.156 1.00 0.00 C ATOM 591 CD2 PHE A 154 -7.589 -4.584 0.154 1.00 0.00 C ATOM 592 CE1 PHE A 154 -7.955 -7.147 1.108 1.00 0.00 C ATOM 593 CE2 PHE A 154 -8.108 -4.781 1.419 1.00 0.00 C ATOM 594 CZ PHE A 154 -8.292 -6.065 1.897 1.00 0.00 C ATOM 0 H PHE A 154 -6.153 -4.978 -4.396 1.00 0.00 H new ATOM 0 HA PHE A 154 -8.019 -6.697 -3.141 1.00 0.00 H new ATOM 0 HB2 PHE A 154 -5.842 -6.123 -2.175 1.00 0.00 H new ATOM 0 HB3 PHE A 154 -6.286 -4.430 -2.090 1.00 0.00 H new ATOM 0 HD1 PHE A 154 -7.172 -7.794 -0.767 1.00 0.00 H new ATOM 0 HD2 PHE A 154 -7.448 -3.579 -0.214 1.00 0.00 H new ATOM 0 HE1 PHE A 154 -8.098 -8.151 1.479 1.00 0.00 H new ATOM 0 HE2 PHE A 154 -8.370 -3.933 2.034 1.00 0.00 H new ATOM 0 HZ PHE A 154 -8.698 -6.222 2.885 1.00 0.00 H new ATOM 604 N LYS A 155 -8.871 -3.551 -3.448 1.00 0.00 N ATOM 605 CA LYS A 155 -9.977 -2.610 -3.305 1.00 0.00 C ATOM 606 C LYS A 155 -11.156 -3.016 -4.185 1.00 0.00 C ATOM 607 O LYS A 155 -12.313 -2.771 -3.840 1.00 0.00 O ATOM 608 CB LYS A 155 -9.522 -1.196 -3.658 1.00 0.00 C ATOM 609 CG LYS A 155 -8.632 -0.565 -2.601 1.00 0.00 C ATOM 610 CD LYS A 155 -9.407 -0.233 -1.339 1.00 0.00 C ATOM 611 CE LYS A 155 -8.482 0.216 -0.219 1.00 0.00 C ATOM 612 NZ LYS A 155 -7.714 1.436 -0.585 1.00 0.00 N ATOM 0 H LYS A 155 -8.077 -3.191 -3.977 1.00 0.00 H new ATOM 0 HA LYS A 155 -10.303 -2.627 -2.265 1.00 0.00 H new ATOM 0 HB2 LYS A 155 -8.985 -1.222 -4.606 1.00 0.00 H new ATOM 0 HB3 LYS A 155 -10.400 -0.567 -3.806 1.00 0.00 H new ATOM 0 HG2 LYS A 155 -7.816 -1.246 -2.358 1.00 0.00 H new ATOM 0 HG3 LYS A 155 -8.181 0.343 -3.000 1.00 0.00 H new ATOM 0 HD2 LYS A 155 -10.131 0.554 -1.552 1.00 0.00 H new ATOM 0 HD3 LYS A 155 -9.972 -1.108 -1.017 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -9.068 0.413 0.678 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -7.789 -0.589 0.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -7.173 1.766 0.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -7.059 1.214 -1.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -8.372 2.182 -0.889 1.00 0.00 H new ATOM 626 N SER A 156 -10.854 -3.637 -5.321 1.00 0.00 N ATOM 627 CA SER A 156 -11.887 -4.078 -6.252 1.00 0.00 C ATOM 628 C SER A 156 -12.375 -5.481 -5.898 1.00 0.00 C ATOM 629 O SER A 156 -13.093 -6.112 -6.675 1.00 0.00 O ATOM 630 CB SER A 156 -11.355 -4.059 -7.686 1.00 0.00 C ATOM 631 OG SER A 156 -10.944 -2.755 -8.061 1.00 0.00 O ATOM 0 H SER A 156 -9.901 -3.846 -5.619 1.00 0.00 H new ATOM 0 HA SER A 156 -12.728 -3.388 -6.175 1.00 0.00 H new ATOM 0 HB2 SER A 156 -10.515 -4.748 -7.775 1.00 0.00 H new ATOM 0 HB3 SER A 156 -12.129 -4.410 -8.369 1.00 0.00 H new ATOM 0 HG SER A 156 -10.038 -2.589 -7.728 1.00 0.00 H new ATOM 637 N GLN A 157 -11.979 -5.957 -4.721 1.00 0.00 N ATOM 638 CA GLN A 157 -12.371 -7.284 -4.252 1.00 0.00 C ATOM 639 C GLN A 157 -11.901 -8.366 -5.222 1.00 0.00 C ATOM 640 O GLN A 157 -12.565 -8.652 -6.218 1.00 0.00 O ATOM 641 CB GLN A 157 -13.889 -7.361 -4.072 1.00 0.00 C ATOM 642 CG GLN A 157 -14.374 -8.688 -3.506 1.00 0.00 C ATOM 643 CD GLN A 157 -14.040 -8.857 -2.036 1.00 0.00 C ATOM 644 OE1 GLN A 157 -13.038 -8.335 -1.547 1.00 0.00 O ATOM 645 NE2 GLN A 157 -14.884 -9.592 -1.320 1.00 0.00 N ATOM 0 H GLN A 157 -11.385 -5.442 -4.072 1.00 0.00 H new ATOM 0 HA GLN A 157 -11.893 -7.456 -3.288 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -14.208 -6.556 -3.410 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -14.369 -7.191 -5.036 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -15.453 -8.762 -3.640 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -13.926 -9.505 -4.072 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -15.703 -10.007 -1.765 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -14.713 -9.741 -0.326 1.00 0.00 H new ATOM 654 N SER A 158 -10.751 -8.960 -4.921 1.00 0.00 N ATOM 655 CA SER A 158 -10.189 -10.011 -5.762 1.00 0.00 C ATOM 656 C SER A 158 -9.307 -10.946 -4.942 1.00 0.00 C ATOM 657 O SER A 158 -9.352 -12.165 -5.112 1.00 0.00 O ATOM 658 CB SER A 158 -9.374 -9.398 -6.903 1.00 0.00 C ATOM 659 OG SER A 158 -8.287 -8.639 -6.404 1.00 0.00 O ATOM 0 H SER A 158 -10.190 -8.731 -4.101 1.00 0.00 H new ATOM 0 HA SER A 158 -11.013 -10.588 -6.181 1.00 0.00 H new ATOM 0 HB2 SER A 158 -9.001 -10.189 -7.553 1.00 0.00 H new ATOM 0 HB3 SER A 158 -10.016 -8.762 -7.512 1.00 0.00 H new ATOM 0 HG SER A 158 -8.620 -7.794 -6.035 1.00 0.00 H new ATOM 665 N ILE A 159 -8.509 -10.366 -4.052 1.00 0.00 N ATOM 666 CA ILE A 159 -7.615 -11.145 -3.205 1.00 0.00 C ATOM 667 C ILE A 159 -8.001 -11.014 -1.734 1.00 0.00 C ATOM 668 O ILE A 159 -8.581 -10.010 -1.322 1.00 0.00 O ATOM 669 CB ILE A 159 -6.149 -10.705 -3.383 1.00 0.00 C ATOM 670 CG1 ILE A 159 -5.987 -9.225 -3.025 1.00 0.00 C ATOM 671 CG2 ILE A 159 -5.693 -10.963 -4.811 1.00 0.00 C ATOM 672 CD1 ILE A 159 -4.547 -8.758 -3.006 1.00 0.00 C ATOM 0 H ILE A 159 -8.463 -9.359 -3.899 1.00 0.00 H new ATOM 0 HA ILE A 159 -7.713 -12.186 -3.512 1.00 0.00 H new ATOM 0 HB ILE A 159 -5.524 -11.290 -2.708 1.00 0.00 H new ATOM 0 HG12 ILE A 159 -6.545 -8.624 -3.742 1.00 0.00 H new ATOM 0 HG13 ILE A 159 -6.431 -9.046 -2.046 1.00 0.00 H new ATOM 0 HG21 ILE A 159 -4.656 -10.648 -4.924 1.00 0.00 H new ATOM 0 HG22 ILE A 159 -5.775 -12.027 -5.033 1.00 0.00 H new ATOM 0 HG23 ILE A 159 -6.321 -10.399 -5.501 1.00 0.00 H new ATOM 0 HD11 ILE A 159 -4.511 -7.700 -2.745 1.00 0.00 H new ATOM 0 HD12 ILE A 159 -3.988 -9.333 -2.268 1.00 0.00 H new ATOM 0 HD13 ILE A 159 -4.104 -8.904 -3.991 1.00 0.00 H new ATOM 684 N ASP A 160 -7.675 -12.035 -0.948 1.00 0.00 N ATOM 685 CA ASP A 160 -7.989 -12.035 0.477 1.00 0.00 C ATOM 686 C ASP A 160 -7.036 -11.123 1.242 1.00 0.00 C ATOM 687 O ASP A 160 -6.143 -10.509 0.656 1.00 0.00 O ATOM 688 CB ASP A 160 -7.918 -13.457 1.036 1.00 0.00 C ATOM 689 CG ASP A 160 -8.883 -14.397 0.341 1.00 0.00 C ATOM 690 OD1 ASP A 160 -8.515 -14.947 -0.719 1.00 0.00 O ATOM 691 OD2 ASP A 160 -10.006 -14.585 0.855 1.00 0.00 O ATOM 0 H ASP A 160 -7.193 -12.873 -1.273 1.00 0.00 H new ATOM 0 HA ASP A 160 -9.003 -11.656 0.602 1.00 0.00 H new ATOM 0 HB2 ASP A 160 -6.902 -13.837 0.928 1.00 0.00 H new ATOM 0 HB3 ASP A 160 -8.139 -13.437 2.103 1.00 0.00 H new ATOM 696 N THR A 161 -7.230 -11.039 2.556 1.00 0.00 N ATOM 697 CA THR A 161 -6.389 -10.200 3.402 1.00 0.00 C ATOM 698 C THR A 161 -4.942 -10.705 3.448 1.00 0.00 C ATOM 699 O THR A 161 -4.010 -9.926 3.242 1.00 0.00 O ATOM 700 CB THR A 161 -6.947 -10.098 4.838 1.00 0.00 C ATOM 701 OG1 THR A 161 -8.285 -9.589 4.808 1.00 0.00 O ATOM 702 CG2 THR A 161 -6.078 -9.193 5.697 1.00 0.00 C ATOM 0 H THR A 161 -7.962 -11.542 3.057 1.00 0.00 H new ATOM 0 HA THR A 161 -6.396 -9.207 2.952 1.00 0.00 H new ATOM 0 HB THR A 161 -6.945 -11.097 5.274 1.00 0.00 H new ATOM 0 HG1 THR A 161 -8.633 -9.529 5.722 1.00 0.00 H new ATOM 0 HG21 THR A 161 -6.493 -9.138 6.703 1.00 0.00 H new ATOM 0 HG22 THR A 161 -5.067 -9.597 5.743 1.00 0.00 H new ATOM 0 HG23 THR A 161 -6.051 -8.194 5.261 1.00 0.00 H new ATOM 710 N PRO A 162 -4.717 -12.010 3.718 1.00 0.00 N ATOM 711 CA PRO A 162 -3.362 -12.569 3.778 1.00 0.00 C ATOM 712 C PRO A 162 -2.598 -12.357 2.476 1.00 0.00 C ATOM 713 O PRO A 162 -1.378 -12.197 2.479 1.00 0.00 O ATOM 714 CB PRO A 162 -3.591 -14.065 4.021 1.00 0.00 C ATOM 715 CG PRO A 162 -4.955 -14.151 4.610 1.00 0.00 C ATOM 716 CD PRO A 162 -5.743 -13.039 3.981 1.00 0.00 C ATOM 0 HA PRO A 162 -2.761 -12.090 4.551 1.00 0.00 H new ATOM 0 HB2 PRO A 162 -3.525 -14.631 3.092 1.00 0.00 H new ATOM 0 HB3 PRO A 162 -2.841 -14.475 4.698 1.00 0.00 H new ATOM 0 HG2 PRO A 162 -5.410 -15.119 4.402 1.00 0.00 H new ATOM 0 HG3 PRO A 162 -4.921 -14.041 5.694 1.00 0.00 H new ATOM 0 HD2 PRO A 162 -6.235 -13.362 3.063 1.00 0.00 H new ATOM 0 HD3 PRO A 162 -6.523 -12.670 4.647 1.00 0.00 H new ATOM 724 N GLY A 163 -3.331 -12.353 1.367 1.00 0.00 N ATOM 725 CA GLY A 163 -2.715 -12.166 0.067 1.00 0.00 C ATOM 726 C GLY A 163 -2.098 -10.792 -0.102 1.00 0.00 C ATOM 727 O GLY A 163 -0.919 -10.674 -0.441 1.00 0.00 O ATOM 0 H GLY A 163 -4.343 -12.476 1.346 1.00 0.00 H new ATOM 0 HA2 GLY A 163 -1.945 -12.924 -0.077 1.00 0.00 H new ATOM 0 HA3 GLY A 163 -3.464 -12.320 -0.710 1.00 0.00 H new ATOM 731 N VAL A 164 -2.890 -9.750 0.133 1.00 0.00 N ATOM 732 CA VAL A 164 -2.405 -8.381 -0.005 1.00 0.00 C ATOM 733 C VAL A 164 -1.285 -8.088 0.991 1.00 0.00 C ATOM 734 O VAL A 164 -0.319 -7.398 0.663 1.00 0.00 O ATOM 735 CB VAL A 164 -3.540 -7.350 0.177 1.00 0.00 C ATOM 736 CG1 VAL A 164 -4.188 -7.490 1.545 1.00 0.00 C ATOM 737 CG2 VAL A 164 -3.015 -5.936 -0.027 1.00 0.00 C ATOM 0 H VAL A 164 -3.866 -9.827 0.419 1.00 0.00 H new ATOM 0 HA VAL A 164 -2.014 -8.289 -1.018 1.00 0.00 H new ATOM 0 HB VAL A 164 -4.301 -7.547 -0.578 1.00 0.00 H new ATOM 0 HG11 VAL A 164 -4.984 -6.753 1.648 1.00 0.00 H new ATOM 0 HG12 VAL A 164 -4.606 -8.491 1.649 1.00 0.00 H new ATOM 0 HG13 VAL A 164 -3.440 -7.327 2.321 1.00 0.00 H new ATOM 0 HG21 VAL A 164 -3.829 -5.223 0.105 1.00 0.00 H new ATOM 0 HG22 VAL A 164 -2.231 -5.730 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 164 -2.609 -5.840 -1.034 1.00 0.00 H new ATOM 747 N ILE A 165 -1.415 -8.616 2.205 1.00 0.00 N ATOM 748 CA ILE A 165 -0.404 -8.403 3.235 1.00 0.00 C ATOM 749 C ILE A 165 0.915 -9.070 2.853 1.00 0.00 C ATOM 750 O ILE A 165 1.990 -8.534 3.120 1.00 0.00 O ATOM 751 CB ILE A 165 -0.865 -8.939 4.606 1.00 0.00 C ATOM 752 CG1 ILE A 165 -2.146 -8.226 5.052 1.00 0.00 C ATOM 753 CG2 ILE A 165 0.236 -8.759 5.644 1.00 0.00 C ATOM 754 CD1 ILE A 165 -2.697 -8.732 6.368 1.00 0.00 C ATOM 0 H ILE A 165 -2.205 -9.191 2.498 1.00 0.00 H new ATOM 0 HA ILE A 165 -0.256 -7.326 3.313 1.00 0.00 H new ATOM 0 HB ILE A 165 -1.077 -10.004 4.511 1.00 0.00 H new ATOM 0 HG12 ILE A 165 -1.946 -7.158 5.139 1.00 0.00 H new ATOM 0 HG13 ILE A 165 -2.906 -8.346 4.280 1.00 0.00 H new ATOM 0 HG21 ILE A 165 -0.105 -9.142 6.606 1.00 0.00 H new ATOM 0 HG22 ILE A 165 1.125 -9.306 5.330 1.00 0.00 H new ATOM 0 HG23 ILE A 165 0.476 -7.700 5.740 1.00 0.00 H new ATOM 0 HD11 ILE A 165 -3.603 -8.181 6.619 1.00 0.00 H new ATOM 0 HD12 ILE A 165 -2.930 -9.793 6.281 1.00 0.00 H new ATOM 0 HD13 ILE A 165 -1.955 -8.587 7.153 1.00 0.00 H new ATOM 766 N SER A 166 0.825 -10.238 2.223 1.00 0.00 N ATOM 767 CA SER A 166 2.014 -10.975 1.804 1.00 0.00 C ATOM 768 C SER A 166 2.749 -10.236 0.689 1.00 0.00 C ATOM 769 O SER A 166 3.958 -10.016 0.769 1.00 0.00 O ATOM 770 CB SER A 166 1.635 -12.381 1.336 1.00 0.00 C ATOM 771 OG SER A 166 1.095 -13.147 2.399 1.00 0.00 O ATOM 0 H SER A 166 -0.057 -10.694 1.992 1.00 0.00 H new ATOM 0 HA SER A 166 2.680 -11.055 2.663 1.00 0.00 H new ATOM 0 HB2 SER A 166 0.908 -12.314 0.527 1.00 0.00 H new ATOM 0 HB3 SER A 166 2.515 -12.883 0.933 1.00 0.00 H new ATOM 0 HG SER A 166 0.257 -12.739 2.703 1.00 0.00 H new ATOM 777 N ARG A 167 2.009 -9.859 -0.350 1.00 0.00 N ATOM 778 CA ARG A 167 2.587 -9.147 -1.486 1.00 0.00 C ATOM 779 C ARG A 167 3.291 -7.871 -1.035 1.00 0.00 C ATOM 780 O ARG A 167 4.422 -7.602 -1.438 1.00 0.00 O ATOM 781 CB ARG A 167 1.502 -8.809 -2.511 1.00 0.00 C ATOM 782 CG ARG A 167 0.881 -10.034 -3.164 1.00 0.00 C ATOM 783 CD ARG A 167 -0.222 -9.648 -4.137 1.00 0.00 C ATOM 784 NE ARG A 167 -0.774 -10.811 -4.826 1.00 0.00 N ATOM 785 CZ ARG A 167 -1.765 -10.745 -5.711 1.00 0.00 C ATOM 786 NH1 ARG A 167 -2.313 -9.576 -6.013 1.00 0.00 N ATOM 787 NH2 ARG A 167 -2.208 -11.849 -6.297 1.00 0.00 N ATOM 0 H ARG A 167 1.007 -10.035 -0.429 1.00 0.00 H new ATOM 0 HA ARG A 167 3.326 -9.801 -1.950 1.00 0.00 H new ATOM 0 HB2 ARG A 167 0.718 -8.232 -2.021 1.00 0.00 H new ATOM 0 HB3 ARG A 167 1.930 -8.172 -3.285 1.00 0.00 H new ATOM 0 HG2 ARG A 167 1.652 -10.597 -3.691 1.00 0.00 H new ATOM 0 HG3 ARG A 167 0.476 -10.691 -2.395 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -1.018 -9.134 -3.598 1.00 0.00 H new ATOM 0 HD3 ARG A 167 0.171 -8.945 -4.871 1.00 0.00 H new ATOM 0 HE ARG A 167 -0.377 -11.727 -4.617 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -1.975 -8.724 -5.566 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -3.073 -9.529 -6.692 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -1.789 -12.751 -6.069 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -2.968 -11.797 -6.975 1.00 0.00 H new ATOM 801 N VAL A 168 2.615 -7.090 -0.197 1.00 0.00 N ATOM 802 CA VAL A 168 3.179 -5.842 0.306 1.00 0.00 C ATOM 803 C VAL A 168 4.374 -6.105 1.219 1.00 0.00 C ATOM 804 O VAL A 168 5.335 -5.336 1.235 1.00 0.00 O ATOM 805 CB VAL A 168 2.125 -5.022 1.077 1.00 0.00 C ATOM 806 CG1 VAL A 168 2.746 -3.769 1.679 1.00 0.00 C ATOM 807 CG2 VAL A 168 0.963 -4.657 0.164 1.00 0.00 C ATOM 0 H VAL A 168 1.678 -7.299 0.147 1.00 0.00 H new ATOM 0 HA VAL A 168 3.510 -5.271 -0.561 1.00 0.00 H new ATOM 0 HB VAL A 168 1.745 -5.637 1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 168 1.983 -3.207 2.218 1.00 0.00 H new ATOM 0 HG12 VAL A 168 3.542 -4.052 2.368 1.00 0.00 H new ATOM 0 HG13 VAL A 168 3.159 -3.149 0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 168 0.228 -4.079 0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 168 1.331 -4.064 -0.673 1.00 0.00 H new ATOM 0 HG23 VAL A 168 0.497 -5.567 -0.213 1.00 0.00 H new ATOM 817 N SER A 169 4.311 -7.199 1.973 1.00 0.00 N ATOM 818 CA SER A 169 5.386 -7.558 2.890 1.00 0.00 C ATOM 819 C SER A 169 6.694 -7.788 2.138 1.00 0.00 C ATOM 820 O SER A 169 7.746 -7.289 2.540 1.00 0.00 O ATOM 821 CB SER A 169 5.014 -8.809 3.684 1.00 0.00 C ATOM 822 OG SER A 169 6.050 -9.172 4.580 1.00 0.00 O ATOM 0 H SER A 169 3.527 -7.851 1.966 1.00 0.00 H new ATOM 0 HA SER A 169 5.528 -6.727 3.581 1.00 0.00 H new ATOM 0 HB2 SER A 169 4.094 -8.630 4.240 1.00 0.00 H new ATOM 0 HB3 SER A 169 4.817 -9.633 2.998 1.00 0.00 H new ATOM 0 HG SER A 169 5.786 -9.974 5.077 1.00 0.00 H new ATOM 828 N GLN A 170 6.622 -8.544 1.047 1.00 0.00 N ATOM 829 CA GLN A 170 7.804 -8.839 0.241 1.00 0.00 C ATOM 830 C GLN A 170 8.159 -7.660 -0.661 1.00 0.00 C ATOM 831 O GLN A 170 9.322 -7.465 -1.012 1.00 0.00 O ATOM 832 CB GLN A 170 7.572 -10.092 -0.606 1.00 0.00 C ATOM 833 CG GLN A 170 7.320 -11.345 0.216 1.00 0.00 C ATOM 834 CD GLN A 170 7.082 -12.572 -0.643 1.00 0.00 C ATOM 835 OE1 GLN A 170 7.410 -13.692 -0.250 1.00 0.00 O ATOM 836 NE2 GLN A 170 6.504 -12.370 -1.823 1.00 0.00 N ATOM 0 H GLN A 170 5.759 -8.963 0.700 1.00 0.00 H new ATOM 0 HA GLN A 170 8.638 -9.017 0.920 1.00 0.00 H new ATOM 0 HB2 GLN A 170 6.720 -9.922 -1.265 1.00 0.00 H new ATOM 0 HB3 GLN A 170 8.441 -10.255 -1.244 1.00 0.00 H new ATOM 0 HG2 GLN A 170 8.174 -11.524 0.869 1.00 0.00 H new ATOM 0 HG3 GLN A 170 6.455 -11.184 0.860 1.00 0.00 H new ATOM 0 HE21 GLN A 170 6.248 -11.425 -2.110 1.00 0.00 H new ATOM 0 HE22 GLN A 170 6.317 -13.160 -2.441 1.00 0.00 H new ATOM 845 N LEU A 171 7.149 -6.878 -1.030 1.00 0.00 N ATOM 846 CA LEU A 171 7.353 -5.719 -1.893 1.00 0.00 C ATOM 847 C LEU A 171 8.252 -4.688 -1.219 1.00 0.00 C ATOM 848 O LEU A 171 8.973 -3.945 -1.886 1.00 0.00 O ATOM 849 CB LEU A 171 6.008 -5.084 -2.256 1.00 0.00 C ATOM 850 CG LEU A 171 6.090 -3.850 -3.158 1.00 0.00 C ATOM 851 CD1 LEU A 171 6.717 -4.205 -4.498 1.00 0.00 C ATOM 852 CD2 LEU A 171 4.709 -3.245 -3.357 1.00 0.00 C ATOM 0 H LEU A 171 6.181 -7.026 -0.745 1.00 0.00 H new ATOM 0 HA LEU A 171 7.844 -6.059 -2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 171 5.392 -5.835 -2.751 1.00 0.00 H new ATOM 0 HB3 LEU A 171 5.495 -4.807 -1.335 1.00 0.00 H new ATOM 0 HG LEU A 171 6.724 -3.109 -2.671 1.00 0.00 H new ATOM 0 HD11 LEU A 171 6.766 -3.314 -5.124 1.00 0.00 H new ATOM 0 HD12 LEU A 171 7.723 -4.592 -4.338 1.00 0.00 H new ATOM 0 HD13 LEU A 171 6.111 -4.964 -4.993 1.00 0.00 H new ATOM 0 HD21 LEU A 171 4.785 -2.369 -4.001 1.00 0.00 H new ATOM 0 HD22 LEU A 171 4.053 -3.981 -3.822 1.00 0.00 H new ATOM 0 HD23 LEU A 171 4.298 -2.951 -2.391 1.00 0.00 H new ATOM 864 N PHE A 172 8.200 -4.646 0.108 1.00 0.00 N ATOM 865 CA PHE A 172 9.009 -3.708 0.877 1.00 0.00 C ATOM 866 C PHE A 172 9.970 -4.449 1.800 1.00 0.00 C ATOM 867 O PHE A 172 10.274 -3.984 2.899 1.00 0.00 O ATOM 868 CB PHE A 172 8.108 -2.779 1.691 1.00 0.00 C ATOM 869 CG PHE A 172 7.206 -1.929 0.844 1.00 0.00 C ATOM 870 CD1 PHE A 172 7.710 -0.839 0.151 1.00 0.00 C ATOM 871 CD2 PHE A 172 5.856 -2.220 0.736 1.00 0.00 C ATOM 872 CE1 PHE A 172 6.884 -0.057 -0.631 1.00 0.00 C ATOM 873 CE2 PHE A 172 5.025 -1.441 -0.046 1.00 0.00 C ATOM 874 CZ PHE A 172 5.540 -0.357 -0.731 1.00 0.00 C ATOM 0 H PHE A 172 7.605 -5.251 0.674 1.00 0.00 H new ATOM 0 HA PHE A 172 9.597 -3.111 0.179 1.00 0.00 H new ATOM 0 HB2 PHE A 172 7.499 -3.378 2.369 1.00 0.00 H new ATOM 0 HB3 PHE A 172 8.730 -2.131 2.309 1.00 0.00 H new ATOM 0 HD1 PHE A 172 8.761 -0.599 0.224 1.00 0.00 H new ATOM 0 HD2 PHE A 172 5.448 -3.066 1.269 1.00 0.00 H new ATOM 0 HE1 PHE A 172 7.289 0.790 -1.165 1.00 0.00 H new ATOM 0 HE2 PHE A 172 3.974 -1.679 -0.122 1.00 0.00 H new ATOM 0 HZ PHE A 172 4.893 0.254 -1.343 1.00 0.00 H new ATOM 884 N LYS A 173 10.450 -5.602 1.340 1.00 0.00 N ATOM 885 CA LYS A 173 11.379 -6.415 2.118 1.00 0.00 C ATOM 886 C LYS A 173 12.574 -5.588 2.584 1.00 0.00 C ATOM 887 O LYS A 173 13.071 -4.731 1.853 1.00 0.00 O ATOM 888 CB LYS A 173 11.860 -7.608 1.290 1.00 0.00 C ATOM 889 CG LYS A 173 12.865 -8.490 2.015 1.00 0.00 C ATOM 890 CD LYS A 173 13.366 -9.611 1.120 1.00 0.00 C ATOM 891 CE LYS A 173 14.440 -10.439 1.811 1.00 0.00 C ATOM 892 NZ LYS A 173 15.616 -9.612 2.199 1.00 0.00 N ATOM 0 H LYS A 173 10.210 -5.994 0.430 1.00 0.00 H new ATOM 0 HA LYS A 173 10.851 -6.781 2.999 1.00 0.00 H new ATOM 0 HB2 LYS A 173 10.999 -8.212 1.005 1.00 0.00 H new ATOM 0 HB3 LYS A 173 12.311 -7.241 0.368 1.00 0.00 H new ATOM 0 HG2 LYS A 173 13.708 -7.885 2.349 1.00 0.00 H new ATOM 0 HG3 LYS A 173 12.403 -8.913 2.907 1.00 0.00 H new ATOM 0 HD2 LYS A 173 12.532 -10.255 0.841 1.00 0.00 H new ATOM 0 HD3 LYS A 173 13.767 -9.190 0.198 1.00 0.00 H new ATOM 0 HE2 LYS A 173 14.019 -10.911 2.699 1.00 0.00 H new ATOM 0 HE3 LYS A 173 14.763 -11.241 1.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 173 16.427 -10.233 2.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 173 15.856 -8.964 1.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 173 15.387 -9.061 3.051 1.00 0.00 H new ATOM 906 N GLY A 174 13.029 -5.855 3.803 1.00 0.00 N ATOM 907 CA GLY A 174 14.159 -5.128 4.351 1.00 0.00 C ATOM 908 C GLY A 174 13.728 -3.902 5.132 1.00 0.00 C ATOM 909 O GLY A 174 14.435 -3.451 6.032 1.00 0.00 O ATOM 0 H GLY A 174 12.635 -6.563 4.422 1.00 0.00 H new ATOM 0 HA2 GLY A 174 14.732 -5.788 5.002 1.00 0.00 H new ATOM 0 HA3 GLY A 174 14.822 -4.826 3.540 1.00 0.00 H new ATOM 913 N HIS A 175 12.565 -3.361 4.781 1.00 0.00 N ATOM 914 CA HIS A 175 12.035 -2.180 5.452 1.00 0.00 C ATOM 915 C HIS A 175 10.793 -2.529 6.274 1.00 0.00 C ATOM 916 O HIS A 175 9.676 -2.513 5.756 1.00 0.00 O ATOM 917 CB HIS A 175 11.694 -1.096 4.427 1.00 0.00 C ATOM 918 CG HIS A 175 12.899 -0.507 3.759 1.00 0.00 C ATOM 919 ND1 HIS A 175 13.361 0.765 4.028 1.00 0.00 N ATOM 920 CD2 HIS A 175 13.737 -1.020 2.828 1.00 0.00 C ATOM 921 CE1 HIS A 175 14.430 1.008 3.292 1.00 0.00 C ATOM 922 NE2 HIS A 175 14.680 -0.059 2.556 1.00 0.00 N ATOM 0 H HIS A 175 11.971 -3.723 4.035 1.00 0.00 H new ATOM 0 HA HIS A 175 12.802 -1.803 6.129 1.00 0.00 H new ATOM 0 HB2 HIS A 175 11.037 -1.519 3.667 1.00 0.00 H new ATOM 0 HB3 HIS A 175 11.137 -0.300 4.922 1.00 0.00 H new ATOM 0 HD2 HIS A 175 13.676 -2.002 2.382 1.00 0.00 H new ATOM 0 HE1 HIS A 175 15.002 1.924 3.292 1.00 0.00 H new ATOM 0 HE2 HIS A 175 15.449 -0.154 1.893 1.00 0.00 H new ATOM 931 N PRO A 176 10.971 -2.856 7.569 1.00 0.00 N ATOM 932 CA PRO A 176 9.853 -3.206 8.453 1.00 0.00 C ATOM 933 C PRO A 176 8.962 -2.006 8.759 1.00 0.00 C ATOM 934 O PRO A 176 7.895 -2.149 9.358 1.00 0.00 O ATOM 935 CB PRO A 176 10.543 -3.697 9.727 1.00 0.00 C ATOM 936 CG PRO A 176 11.873 -3.027 9.718 1.00 0.00 C ATOM 937 CD PRO A 176 12.267 -2.917 8.272 1.00 0.00 C ATOM 0 HA PRO A 176 9.193 -3.946 8.000 1.00 0.00 H new ATOM 0 HB2 PRO A 176 9.971 -3.430 10.615 1.00 0.00 H new ATOM 0 HB3 PRO A 176 10.646 -4.782 9.729 1.00 0.00 H new ATOM 0 HG2 PRO A 176 11.818 -2.043 10.184 1.00 0.00 H new ATOM 0 HG3 PRO A 176 12.606 -3.606 10.280 1.00 0.00 H new ATOM 0 HD2 PRO A 176 12.868 -2.027 8.086 1.00 0.00 H new ATOM 0 HD3 PRO A 176 12.859 -3.774 7.950 1.00 0.00 H new ATOM 945 N ASP A 177 9.408 -0.824 8.346 1.00 0.00 N ATOM 946 CA ASP A 177 8.649 0.401 8.573 1.00 0.00 C ATOM 947 C ASP A 177 7.372 0.409 7.741 1.00 0.00 C ATOM 948 O ASP A 177 6.269 0.503 8.281 1.00 0.00 O ATOM 949 CB ASP A 177 9.503 1.625 8.234 1.00 0.00 C ATOM 950 CG ASP A 177 8.731 2.923 8.374 1.00 0.00 C ATOM 951 OD1 ASP A 177 8.580 3.404 9.517 1.00 0.00 O ATOM 952 OD2 ASP A 177 8.279 3.460 7.341 1.00 0.00 O ATOM 0 H ASP A 177 10.290 -0.688 7.853 1.00 0.00 H new ATOM 0 HA ASP A 177 8.374 0.441 9.627 1.00 0.00 H new ATOM 0 HB2 ASP A 177 10.374 1.650 8.889 1.00 0.00 H new ATOM 0 HB3 ASP A 177 9.875 1.534 7.213 1.00 0.00 H new ATOM 957 N LEU A 178 7.530 0.308 6.425 1.00 0.00 N ATOM 958 CA LEU A 178 6.391 0.302 5.515 1.00 0.00 C ATOM 959 C LEU A 178 5.449 -0.856 5.827 1.00 0.00 C ATOM 960 O LEU A 178 4.228 -0.710 5.764 1.00 0.00 O ATOM 961 CB LEU A 178 6.871 0.207 4.063 1.00 0.00 C ATOM 962 CG LEU A 178 7.406 1.508 3.455 1.00 0.00 C ATOM 963 CD1 LEU A 178 6.320 2.572 3.425 1.00 0.00 C ATOM 964 CD2 LEU A 178 8.622 2.009 4.221 1.00 0.00 C ATOM 0 H LEU A 178 8.437 0.229 5.965 1.00 0.00 H new ATOM 0 HA LEU A 178 5.846 1.236 5.651 1.00 0.00 H new ATOM 0 HB2 LEU A 178 7.655 -0.548 4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 178 6.043 -0.147 3.448 1.00 0.00 H new ATOM 0 HG LEU A 178 7.714 1.299 2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 178 6.720 3.488 2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 178 5.482 2.220 2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 178 5.978 2.772 4.441 1.00 0.00 H new ATOM 0 HD21 LEU A 178 8.982 2.933 3.769 1.00 0.00 H new ATOM 0 HD22 LEU A 178 8.347 2.196 5.259 1.00 0.00 H new ATOM 0 HD23 LEU A 178 9.410 1.257 4.185 1.00 0.00 H new ATOM 976 N ILE A 179 6.024 -2.005 6.166 1.00 0.00 N ATOM 977 CA ILE A 179 5.238 -3.190 6.488 1.00 0.00 C ATOM 978 C ILE A 179 4.319 -2.931 7.679 1.00 0.00 C ATOM 979 O ILE A 179 3.104 -3.108 7.589 1.00 0.00 O ATOM 980 CB ILE A 179 6.143 -4.398 6.800 1.00 0.00 C ATOM 981 CG1 ILE A 179 7.096 -4.662 5.630 1.00 0.00 C ATOM 982 CG2 ILE A 179 5.299 -5.631 7.094 1.00 0.00 C ATOM 983 CD1 ILE A 179 8.136 -5.725 5.919 1.00 0.00 C ATOM 0 H ILE A 179 7.033 -2.141 6.225 1.00 0.00 H new ATOM 0 HA ILE A 179 4.634 -3.419 5.610 1.00 0.00 H new ATOM 0 HB ILE A 179 6.737 -4.171 7.685 1.00 0.00 H new ATOM 0 HG12 ILE A 179 6.513 -4.964 4.759 1.00 0.00 H new ATOM 0 HG13 ILE A 179 7.602 -3.733 5.369 1.00 0.00 H new ATOM 0 HG21 ILE A 179 5.952 -6.476 7.312 1.00 0.00 H new ATOM 0 HG22 ILE A 179 4.658 -5.436 7.954 1.00 0.00 H new ATOM 0 HG23 ILE A 179 4.682 -5.865 6.227 1.00 0.00 H new ATOM 0 HD11 ILE A 179 8.774 -5.857 5.045 1.00 0.00 H new ATOM 0 HD12 ILE A 179 8.744 -5.417 6.769 1.00 0.00 H new ATOM 0 HD13 ILE A 179 7.639 -6.667 6.151 1.00 0.00 H new ATOM 995 N MET A 180 4.908 -2.510 8.794 1.00 0.00 N ATOM 996 CA MET A 180 4.142 -2.226 10.003 1.00 0.00 C ATOM 997 C MET A 180 3.151 -1.091 9.764 1.00 0.00 C ATOM 998 O MET A 180 2.108 -1.018 10.416 1.00 0.00 O ATOM 999 CB MET A 180 5.081 -1.868 11.157 1.00 0.00 C ATOM 1000 CG MET A 180 5.942 -3.029 11.627 1.00 0.00 C ATOM 1001 SD MET A 180 7.047 -2.569 12.977 1.00 0.00 S ATOM 1002 CE MET A 180 7.859 -4.132 13.301 1.00 0.00 C ATOM 0 H MET A 180 5.912 -2.358 8.886 1.00 0.00 H new ATOM 0 HA MET A 180 3.582 -3.123 10.268 1.00 0.00 H new ATOM 0 HB2 MET A 180 5.729 -1.049 10.845 1.00 0.00 H new ATOM 0 HB3 MET A 180 4.488 -1.504 11.996 1.00 0.00 H new ATOM 0 HG2 MET A 180 5.298 -3.846 11.952 1.00 0.00 H new ATOM 0 HG3 MET A 180 6.532 -3.401 10.790 1.00 0.00 H new ATOM 0 HE1 MET A 180 8.575 -4.009 14.114 1.00 0.00 H new ATOM 0 HE2 MET A 180 7.115 -4.877 13.583 1.00 0.00 H new ATOM 0 HE3 MET A 180 8.382 -4.463 12.404 1.00 0.00 H new ATOM 1012 N GLY A 181 3.483 -0.209 8.826 1.00 0.00 N ATOM 1013 CA GLY A 181 2.609 0.909 8.517 1.00 0.00 C ATOM 1014 C GLY A 181 1.357 0.481 7.776 1.00 0.00 C ATOM 1015 O GLY A 181 0.278 1.030 7.999 1.00 0.00 O ATOM 0 H GLY A 181 4.340 -0.248 8.275 1.00 0.00 H new ATOM 0 HA2 GLY A 181 2.326 1.411 9.442 1.00 0.00 H new ATOM 0 HA3 GLY A 181 3.154 1.636 7.914 1.00 0.00 H new ATOM 1019 N PHE A 182 1.502 -0.501 6.891 1.00 0.00 N ATOM 1020 CA PHE A 182 0.376 -1.004 6.112 1.00 0.00 C ATOM 1021 C PHE A 182 -0.514 -1.907 6.961 1.00 0.00 C ATOM 1022 O PHE A 182 -1.735 -1.919 6.800 1.00 0.00 O ATOM 1023 CB PHE A 182 0.877 -1.769 4.884 1.00 0.00 C ATOM 1024 CG PHE A 182 -0.229 -2.277 4.000 1.00 0.00 C ATOM 1025 CD1 PHE A 182 -0.891 -1.421 3.134 1.00 0.00 C ATOM 1026 CD2 PHE A 182 -0.607 -3.610 4.037 1.00 0.00 C ATOM 1027 CE1 PHE A 182 -1.909 -1.884 2.320 1.00 0.00 C ATOM 1028 CE2 PHE A 182 -1.624 -4.079 3.227 1.00 0.00 C ATOM 1029 CZ PHE A 182 -2.276 -3.215 2.367 1.00 0.00 C ATOM 0 H PHE A 182 2.389 -0.964 6.696 1.00 0.00 H new ATOM 0 HA PHE A 182 -0.215 -0.149 5.782 1.00 0.00 H new ATOM 0 HB2 PHE A 182 1.527 -1.117 4.300 1.00 0.00 H new ATOM 0 HB3 PHE A 182 1.484 -2.612 5.214 1.00 0.00 H new ATOM 0 HD1 PHE A 182 -0.608 -0.379 3.094 1.00 0.00 H new ATOM 0 HD2 PHE A 182 -0.101 -4.290 4.706 1.00 0.00 H new ATOM 0 HE1 PHE A 182 -2.416 -1.206 1.649 1.00 0.00 H new ATOM 0 HE2 PHE A 182 -1.909 -5.120 3.266 1.00 0.00 H new ATOM 0 HZ PHE A 182 -3.071 -3.580 1.733 1.00 0.00 H new ATOM 1039 N ASN A 183 0.106 -2.662 7.863 1.00 0.00 N ATOM 1040 CA ASN A 183 -0.630 -3.569 8.738 1.00 0.00 C ATOM 1041 C ASN A 183 -1.686 -2.814 9.536 1.00 0.00 C ATOM 1042 O ASN A 183 -2.757 -3.346 9.828 1.00 0.00 O ATOM 1043 CB ASN A 183 0.330 -4.289 9.689 1.00 0.00 C ATOM 1044 CG ASN A 183 -0.381 -5.273 10.597 1.00 0.00 C ATOM 1045 OD1 ASN A 183 0.030 -5.490 11.738 1.00 0.00 O ATOM 1046 ND2 ASN A 183 -1.452 -5.880 10.096 1.00 0.00 N ATOM 0 H ASN A 183 1.116 -2.664 8.007 1.00 0.00 H new ATOM 0 HA ASN A 183 -1.131 -4.309 8.114 1.00 0.00 H new ATOM 0 HB2 ASN A 183 1.085 -4.817 9.107 1.00 0.00 H new ATOM 0 HB3 ASN A 183 0.855 -3.552 10.297 1.00 0.00 H new ATOM 0 HD21 ASN A 183 -1.967 -6.555 10.662 1.00 0.00 H new ATOM 0 HD22 ASN A 183 -1.759 -5.671 9.146 1.00 0.00 H new ATOM 1053 N THR A 184 -1.376 -1.569 9.888 1.00 0.00 N ATOM 1054 CA THR A 184 -2.298 -0.738 10.651 1.00 0.00 C ATOM 1055 C THR A 184 -3.123 0.153 9.727 1.00 0.00 C ATOM 1056 O THR A 184 -4.140 0.714 10.135 1.00 0.00 O ATOM 1057 CB THR A 184 -1.552 0.151 11.664 1.00 0.00 C ATOM 1058 OG1 THR A 184 -0.652 1.029 10.976 1.00 0.00 O ATOM 1059 CG2 THR A 184 -0.776 -0.699 12.659 1.00 0.00 C ATOM 0 H THR A 184 -0.493 -1.115 9.656 1.00 0.00 H new ATOM 0 HA THR A 184 -2.959 -1.415 11.192 1.00 0.00 H new ATOM 0 HB THR A 184 -2.289 0.741 12.209 1.00 0.00 H new ATOM 0 HG1 THR A 184 -0.183 1.592 11.627 1.00 0.00 H new ATOM 0 HG21 THR A 184 -0.257 -0.050 13.365 1.00 0.00 H new ATOM 0 HG22 THR A 184 -1.466 -1.346 13.201 1.00 0.00 H new ATOM 0 HG23 THR A 184 -0.048 -1.310 12.125 1.00 0.00 H new ATOM 1067 N PHE A 185 -2.676 0.280 8.481 1.00 0.00 N ATOM 1068 CA PHE A 185 -3.370 1.103 7.498 1.00 0.00 C ATOM 1069 C PHE A 185 -4.675 0.443 7.061 1.00 0.00 C ATOM 1070 O PHE A 185 -5.585 1.110 6.568 1.00 0.00 O ATOM 1071 CB PHE A 185 -2.473 1.345 6.282 1.00 0.00 C ATOM 1072 CG PHE A 185 -3.067 2.282 5.269 1.00 0.00 C ATOM 1073 CD1 PHE A 185 -3.077 3.650 5.493 1.00 0.00 C ATOM 1074 CD2 PHE A 185 -3.616 1.795 4.094 1.00 0.00 C ATOM 1075 CE1 PHE A 185 -3.623 4.514 4.562 1.00 0.00 C ATOM 1076 CE2 PHE A 185 -4.164 2.653 3.161 1.00 0.00 C ATOM 1077 CZ PHE A 185 -4.167 4.014 3.395 1.00 0.00 C ATOM 0 H PHE A 185 -1.835 -0.177 8.129 1.00 0.00 H new ATOM 0 HA PHE A 185 -3.607 2.060 7.962 1.00 0.00 H new ATOM 0 HB2 PHE A 185 -1.518 1.748 6.620 1.00 0.00 H new ATOM 0 HB3 PHE A 185 -2.263 0.390 5.801 1.00 0.00 H new ATOM 0 HD1 PHE A 185 -2.654 4.045 6.405 1.00 0.00 H new ATOM 0 HD2 PHE A 185 -3.615 0.732 3.905 1.00 0.00 H new ATOM 0 HE1 PHE A 185 -3.624 5.578 4.747 1.00 0.00 H new ATOM 0 HE2 PHE A 185 -4.590 2.260 2.249 1.00 0.00 H new ATOM 0 HZ PHE A 185 -4.594 4.687 2.666 1.00 0.00 H new ATOM 1087 N LEU A 186 -4.760 -0.872 7.248 1.00 0.00 N ATOM 1088 CA LEU A 186 -5.953 -1.623 6.876 1.00 0.00 C ATOM 1089 C LEU A 186 -7.167 -1.134 7.664 1.00 0.00 C ATOM 1090 O LEU A 186 -7.035 -0.705 8.811 1.00 0.00 O ATOM 1091 CB LEU A 186 -5.738 -3.119 7.123 1.00 0.00 C ATOM 1092 CG LEU A 186 -4.606 -3.757 6.315 1.00 0.00 C ATOM 1093 CD1 LEU A 186 -4.357 -5.183 6.779 1.00 0.00 C ATOM 1094 CD2 LEU A 186 -4.929 -3.732 4.829 1.00 0.00 C ATOM 0 H LEU A 186 -4.016 -1.438 7.655 1.00 0.00 H new ATOM 0 HA LEU A 186 -6.140 -1.462 5.814 1.00 0.00 H new ATOM 0 HB2 LEU A 186 -5.536 -3.270 8.183 1.00 0.00 H new ATOM 0 HB3 LEU A 186 -6.665 -3.645 6.897 1.00 0.00 H new ATOM 0 HG LEU A 186 -3.699 -3.176 6.480 1.00 0.00 H new ATOM 0 HD11 LEU A 186 -3.549 -5.620 6.193 1.00 0.00 H new ATOM 0 HD12 LEU A 186 -4.080 -5.179 7.833 1.00 0.00 H new ATOM 0 HD13 LEU A 186 -5.263 -5.773 6.644 1.00 0.00 H new ATOM 0 HD21 LEU A 186 -4.112 -4.190 4.271 1.00 0.00 H new ATOM 0 HD22 LEU A 186 -5.849 -4.288 4.647 1.00 0.00 H new ATOM 0 HD23 LEU A 186 -5.058 -2.700 4.502 1.00 0.00 H new