USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 450 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 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 60:sc= 0.303 USER MOD Single : A 31 GLN : amide:sc= -0.361 X(o=-0.36,f=-0.034) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 55:sc= 0.871 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 148:sc= 1.23 (180deg=-0.364) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 30:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -1.47 K(o=-1.5,f=-0.095) USER MOD Single : A 62 ASN : amide:sc= -0.0655 X(o=-0.065,f=-0.29) USER MOD Single : A 69 ASN : amide:sc= -0.224 K(o=-0.22,f=-0.91) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 108 N ILE A 21 8.622 2.548 0.269 1.00 0.00 N ATOM 109 CA ILE A 21 7.326 2.444 -0.394 1.00 0.00 C ATOM 110 C ILE A 21 6.239 2.077 0.625 1.00 0.00 C ATOM 111 O ILE A 21 5.184 2.713 0.648 1.00 0.00 O ATOM 112 CB ILE A 21 7.407 1.423 -1.551 1.00 0.00 C ATOM 113 CG1 ILE A 21 8.443 1.844 -2.627 1.00 0.00 C ATOM 114 CG2 ILE A 21 6.029 1.280 -2.221 1.00 0.00 C ATOM 115 CD1 ILE A 21 8.859 0.687 -3.542 1.00 0.00 C ATOM 0 HA ILE A 21 7.056 3.408 -0.824 1.00 0.00 H new ATOM 0 HB ILE A 21 7.724 0.473 -1.121 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.023 2.647 -3.233 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.328 2.246 -2.134 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.094 0.559 -3.036 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.302 0.934 -1.487 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.714 2.246 -2.616 1.00 0.00 H new ATOM 0 HD11 ILE A 21 9.585 1.044 -4.273 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.307 -0.107 -2.944 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.982 0.300 -4.061 1.00 0.00 H new ATOM 127 N LEU A 22 6.469 1.047 1.442 1.00 0.00 N ATOM 128 CA LEU A 22 5.557 0.491 2.436 1.00 0.00 C ATOM 129 C LEU A 22 5.113 1.559 3.422 1.00 0.00 C ATOM 130 O LEU A 22 3.956 1.539 3.848 1.00 0.00 O ATOM 131 CB LEU A 22 6.265 -0.642 3.205 1.00 0.00 C ATOM 132 CG LEU A 22 6.374 -1.965 2.425 1.00 0.00 C ATOM 133 CD1 LEU A 22 7.380 -2.904 3.093 1.00 0.00 C ATOM 134 CD2 LEU A 22 5.014 -2.654 2.348 1.00 0.00 C ATOM 0 H LEU A 22 7.358 0.548 1.423 1.00 0.00 H new ATOM 0 HA LEU A 22 4.679 0.104 1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.267 -0.310 3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.727 -0.825 4.135 1.00 0.00 H new ATOM 0 HG LEU A 22 6.717 -1.732 1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.442 -3.833 2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.360 -2.428 3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.055 -3.121 4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.110 -3.587 1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.656 -2.866 3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.304 -2.001 1.840 1.00 0.00 H new ATOM 146 N SER A 23 6.004 2.505 3.731 1.00 0.00 N ATOM 147 CA SER A 23 5.712 3.614 4.638 1.00 0.00 C ATOM 148 C SER A 23 4.624 4.525 4.049 1.00 0.00 C ATOM 149 O SER A 23 3.992 5.304 4.759 1.00 0.00 O ATOM 150 CB SER A 23 7.021 4.388 4.877 1.00 0.00 C ATOM 151 OG SER A 23 6.979 5.275 5.989 1.00 0.00 O ATOM 0 H SER A 23 6.952 2.522 3.356 1.00 0.00 H new ATOM 0 HA SER A 23 5.330 3.237 5.587 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.830 3.673 5.027 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.262 4.959 3.980 1.00 0.00 H new ATOM 0 HG SER A 23 7.843 5.728 6.079 1.00 0.00 H new ATOM 157 N GLY A 24 4.402 4.443 2.740 1.00 0.00 N ATOM 158 CA GLY A 24 3.378 5.174 2.032 1.00 0.00 C ATOM 159 C GLY A 24 2.029 4.504 2.071 1.00 0.00 C ATOM 160 O GLY A 24 1.026 5.187 2.211 1.00 0.00 O ATOM 0 H GLY A 24 4.955 3.842 2.129 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.292 6.172 2.461 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.684 5.299 0.993 1.00 0.00 H new ATOM 164 N ILE A 25 1.999 3.179 1.913 1.00 0.00 N ATOM 165 CA ILE A 25 0.755 2.410 1.917 1.00 0.00 C ATOM 166 C ILE A 25 0.090 2.563 3.280 1.00 0.00 C ATOM 167 O ILE A 25 -1.123 2.718 3.372 1.00 0.00 O ATOM 168 CB ILE A 25 1.033 0.932 1.562 1.00 0.00 C ATOM 169 CG1 ILE A 25 1.723 0.889 0.182 1.00 0.00 C ATOM 170 CG2 ILE A 25 -0.276 0.111 1.576 1.00 0.00 C ATOM 171 CD1 ILE A 25 1.760 -0.481 -0.485 1.00 0.00 C ATOM 0 H ILE A 25 2.835 2.611 1.779 1.00 0.00 H new ATOM 0 HA ILE A 25 0.072 2.789 1.157 1.00 0.00 H new ATOM 0 HB ILE A 25 1.691 0.481 2.305 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.212 1.585 -0.483 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.746 1.248 0.294 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.057 -0.927 1.323 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.723 0.156 2.569 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.972 0.523 0.845 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.265 -0.403 -1.448 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.300 -1.182 0.152 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.742 -0.839 -0.637 1.00 0.00 H new ATOM 183 N GLU A 26 0.916 2.552 4.317 1.00 0.00 N ATOM 184 CA GLU A 26 0.588 2.853 5.700 1.00 0.00 C ATOM 185 C GLU A 26 -0.131 4.210 5.766 1.00 0.00 C ATOM 186 O GLU A 26 -1.270 4.292 6.237 1.00 0.00 O ATOM 187 CB GLU A 26 1.929 2.743 6.449 1.00 0.00 C ATOM 188 CG GLU A 26 1.861 2.549 7.964 1.00 0.00 C ATOM 189 CD GLU A 26 3.059 1.753 8.530 1.00 0.00 C ATOM 190 OE1 GLU A 26 4.063 1.453 7.838 1.00 0.00 O ATOM 191 OE2 GLU A 26 2.977 1.340 9.708 1.00 0.00 O ATOM 0 H GLU A 26 1.902 2.316 4.204 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.119 2.173 6.175 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.487 1.908 6.025 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.505 3.646 6.248 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.821 3.525 8.447 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.936 2.030 8.216 1.00 0.00 H new ATOM 198 N GLU A 27 0.485 5.248 5.191 1.00 0.00 N ATOM 199 CA GLU A 27 -0.050 6.606 5.116 1.00 0.00 C ATOM 200 C GLU A 27 -1.327 6.700 4.247 1.00 0.00 C ATOM 201 O GLU A 27 -2.164 7.582 4.474 1.00 0.00 O ATOM 202 CB GLU A 27 1.058 7.528 4.568 1.00 0.00 C ATOM 203 CG GLU A 27 0.962 8.982 5.052 1.00 0.00 C ATOM 204 CD GLU A 27 1.903 9.273 6.225 1.00 0.00 C ATOM 205 OE1 GLU A 27 3.088 9.628 5.992 1.00 0.00 O ATOM 206 OE2 GLU A 27 1.453 9.181 7.389 1.00 0.00 O ATOM 0 H GLU A 27 1.401 5.160 4.751 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.350 6.919 6.116 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.028 7.124 4.857 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.020 7.516 3.479 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.198 9.653 4.226 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.064 9.195 5.352 1.00 0.00 H new ATOM 213 N THR A 28 -1.517 5.820 3.257 1.00 0.00 N ATOM 214 CA THR A 28 -2.768 5.713 2.512 1.00 0.00 C ATOM 215 C THR A 28 -3.835 5.129 3.438 1.00 0.00 C ATOM 216 O THR A 28 -4.907 5.709 3.593 1.00 0.00 O ATOM 217 CB THR A 28 -2.613 4.828 1.253 1.00 0.00 C ATOM 218 OG1 THR A 28 -1.440 5.117 0.518 1.00 0.00 O ATOM 219 CG2 THR A 28 -3.802 4.985 0.297 1.00 0.00 C ATOM 0 H THR A 28 -0.801 5.161 2.952 1.00 0.00 H new ATOM 0 HA THR A 28 -3.060 6.706 2.171 1.00 0.00 H new ATOM 0 HB THR A 28 -2.560 3.808 1.635 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.654 4.972 1.086 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.655 4.347 -0.575 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.720 4.695 0.808 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.877 6.024 -0.023 1.00 0.00 H new ATOM 227 N PHE A 29 -3.548 3.983 4.054 1.00 0.00 N ATOM 228 CA PHE A 29 -4.504 3.192 4.808 1.00 0.00 C ATOM 229 C PHE A 29 -5.127 4.039 5.915 1.00 0.00 C ATOM 230 O PHE A 29 -6.348 4.030 6.066 1.00 0.00 O ATOM 231 CB PHE A 29 -3.820 1.920 5.345 1.00 0.00 C ATOM 232 CG PHE A 29 -3.874 0.701 4.429 1.00 0.00 C ATOM 233 CD1 PHE A 29 -3.721 0.814 3.031 1.00 0.00 C ATOM 234 CD2 PHE A 29 -4.095 -0.573 4.986 1.00 0.00 C ATOM 235 CE1 PHE A 29 -3.800 -0.325 2.209 1.00 0.00 C ATOM 236 CE2 PHE A 29 -4.188 -1.710 4.165 1.00 0.00 C ATOM 237 CZ PHE A 29 -4.047 -1.587 2.773 1.00 0.00 C ATOM 0 H PHE A 29 -2.615 3.572 4.038 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.318 2.871 4.158 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.775 2.151 5.550 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.281 1.657 6.297 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.542 1.783 2.588 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.194 -0.678 6.056 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.670 -0.228 1.141 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.368 -2.680 4.605 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.128 -2.458 2.140 1.00 0.00 H new ATOM 247 N ALA A 30 -4.330 4.818 6.651 1.00 0.00 N ATOM 248 CA ALA A 30 -4.844 5.642 7.739 1.00 0.00 C ATOM 249 C ALA A 30 -5.829 6.730 7.275 1.00 0.00 C ATOM 250 O ALA A 30 -6.717 7.097 8.041 1.00 0.00 O ATOM 251 CB ALA A 30 -3.666 6.255 8.488 1.00 0.00 C ATOM 0 H ALA A 30 -3.323 4.893 6.509 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.421 4.995 8.400 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.037 6.874 9.305 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.038 5.461 8.891 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.080 6.869 7.804 1.00 0.00 H new ATOM 257 N GLN A 31 -5.736 7.217 6.029 1.00 0.00 N ATOM 258 CA GLN A 31 -6.700 8.152 5.424 1.00 0.00 C ATOM 259 C GLN A 31 -8.070 7.517 5.146 1.00 0.00 C ATOM 260 O GLN A 31 -8.993 8.204 4.710 1.00 0.00 O ATOM 261 CB GLN A 31 -6.109 8.698 4.111 1.00 0.00 C ATOM 262 CG GLN A 31 -5.758 10.184 4.259 1.00 0.00 C ATOM 263 CD GLN A 31 -4.906 10.760 3.132 1.00 0.00 C ATOM 264 OE1 GLN A 31 -5.353 11.623 2.382 1.00 0.00 O ATOM 265 NE2 GLN A 31 -3.651 10.354 3.005 1.00 0.00 N ATOM 0 H GLN A 31 -4.973 6.968 5.399 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.869 8.953 6.143 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.217 8.132 3.844 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.825 8.566 3.300 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.684 10.756 4.323 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.230 10.325 5.202 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.281 9.637 3.629 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.055 10.759 2.283 1.00 0.00 H new ATOM 274 N PHE A 32 -8.182 6.209 5.351 1.00 0.00 N ATOM 275 CA PHE A 32 -9.392 5.418 5.197 1.00 0.00 C ATOM 276 C PHE A 32 -9.652 4.573 6.454 1.00 0.00 C ATOM 277 O PHE A 32 -10.508 3.682 6.440 1.00 0.00 O ATOM 278 CB PHE A 32 -9.240 4.580 3.924 1.00 0.00 C ATOM 279 CG PHE A 32 -9.261 5.398 2.657 1.00 0.00 C ATOM 280 CD1 PHE A 32 -8.070 5.923 2.120 1.00 0.00 C ATOM 281 CD2 PHE A 32 -10.486 5.632 2.012 1.00 0.00 C ATOM 282 CE1 PHE A 32 -8.117 6.688 0.949 1.00 0.00 C ATOM 283 CE2 PHE A 32 -10.528 6.391 0.836 1.00 0.00 C ATOM 284 CZ PHE A 32 -9.344 6.939 0.314 1.00 0.00 C ATOM 0 H PHE A 32 -7.386 5.644 5.645 1.00 0.00 H new ATOM 0 HA PHE A 32 -10.270 6.055 5.090 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.303 4.026 3.973 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.043 3.844 3.885 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.125 5.736 2.609 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.398 5.226 2.424 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.205 7.087 0.531 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -11.469 6.555 0.331 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.378 7.552 -0.574 1.00 0.00 H new ATOM 294 N SER A 33 -8.900 4.826 7.537 1.00 0.00 N ATOM 295 CA SER A 33 -8.989 4.097 8.802 1.00 0.00 C ATOM 296 C SER A 33 -8.685 2.599 8.625 1.00 0.00 C ATOM 297 O SER A 33 -9.212 1.763 9.368 1.00 0.00 O ATOM 298 CB SER A 33 -10.369 4.360 9.444 1.00 0.00 C ATOM 299 OG SER A 33 -10.253 4.927 10.737 1.00 0.00 O ATOM 0 H SER A 33 -8.196 5.564 7.552 1.00 0.00 H new ATOM 0 HA SER A 33 -8.222 4.465 9.483 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.945 5.029 8.805 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.924 3.424 9.507 1.00 0.00 H new ATOM 0 HG SER A 33 -11.147 5.080 11.109 1.00 0.00 H new ATOM 305 N ILE A 34 -7.912 2.216 7.608 1.00 0.00 N ATOM 306 CA ILE A 34 -7.765 0.813 7.247 1.00 0.00 C ATOM 307 C ILE A 34 -6.691 0.207 8.157 1.00 0.00 C ATOM 308 O ILE A 34 -5.607 0.792 8.280 1.00 0.00 O ATOM 309 CB ILE A 34 -7.488 0.639 5.738 1.00 0.00 C ATOM 310 CG1 ILE A 34 -8.621 1.269 4.907 1.00 0.00 C ATOM 311 CG2 ILE A 34 -7.373 -0.846 5.349 1.00 0.00 C ATOM 312 CD1 ILE A 34 -8.425 1.197 3.392 1.00 0.00 C ATOM 0 H ILE A 34 -7.380 2.860 7.023 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.696 0.269 7.409 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.541 1.138 5.530 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.558 0.773 5.162 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.725 2.315 5.196 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.178 -0.928 4.280 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.554 -1.305 5.903 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.305 -1.358 5.588 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.273 1.666 2.893 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.509 1.720 3.118 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.354 0.154 3.084 1.00 0.00 H new ATOM 324 N PRO A 35 -6.948 -0.958 8.781 1.00 0.00 N ATOM 325 CA PRO A 35 -5.964 -1.642 9.596 1.00 0.00 C ATOM 326 C PRO A 35 -4.776 -2.008 8.712 1.00 0.00 C ATOM 327 O PRO A 35 -4.921 -2.752 7.738 1.00 0.00 O ATOM 328 CB PRO A 35 -6.673 -2.870 10.173 1.00 0.00 C ATOM 329 CG PRO A 35 -7.764 -3.165 9.150 1.00 0.00 C ATOM 330 CD PRO A 35 -8.151 -1.773 8.670 1.00 0.00 C ATOM 0 HA PRO A 35 -5.576 -1.033 10.413 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.990 -3.712 10.285 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.092 -2.666 11.158 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -7.398 -3.788 8.334 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.608 -3.689 9.597 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.509 -1.801 7.641 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.958 -1.362 9.277 1.00 0.00 H new ATOM 338 N TYR A 36 -3.613 -1.441 9.011 1.00 0.00 N ATOM 339 CA TYR A 36 -2.394 -1.749 8.289 1.00 0.00 C ATOM 340 C TYR A 36 -1.710 -2.933 8.968 1.00 0.00 C ATOM 341 O TYR A 36 -1.952 -3.217 10.145 1.00 0.00 O ATOM 342 CB TYR A 36 -1.511 -0.500 8.258 1.00 0.00 C ATOM 343 CG TYR A 36 -0.239 -0.658 7.455 1.00 0.00 C ATOM 344 CD1 TYR A 36 -0.255 -0.476 6.060 1.00 0.00 C ATOM 345 CD2 TYR A 36 0.971 -0.956 8.105 1.00 0.00 C ATOM 346 CE1 TYR A 36 0.940 -0.566 5.324 1.00 0.00 C ATOM 347 CE2 TYR A 36 2.163 -1.055 7.372 1.00 0.00 C ATOM 348 CZ TYR A 36 2.162 -0.847 5.978 1.00 0.00 C ATOM 349 OH TYR A 36 3.337 -0.843 5.292 1.00 0.00 O ATOM 0 H TYR A 36 -3.493 -0.758 9.759 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.600 -2.032 7.257 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.087 0.328 7.845 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.250 -0.228 9.281 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.186 -0.267 5.554 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.983 -1.110 9.174 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.924 -0.420 4.254 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.087 -1.292 7.879 1.00 0.00 H new ATOM 0 HH TYR A 36 3.446 0.017 4.836 1.00 0.00 H new ATOM 359 N ASP A 37 -0.838 -3.622 8.239 1.00 0.00 N ATOM 360 CA ASP A 37 0.079 -4.598 8.800 1.00 0.00 C ATOM 361 C ASP A 37 1.290 -4.622 7.902 1.00 0.00 C ATOM 362 O ASP A 37 1.181 -5.111 6.778 1.00 0.00 O ATOM 363 CB ASP A 37 -0.503 -6.020 8.856 1.00 0.00 C ATOM 364 CG ASP A 37 -1.244 -6.325 10.143 1.00 0.00 C ATOM 365 OD1 ASP A 37 -0.575 -6.375 11.198 1.00 0.00 O ATOM 366 OD2 ASP A 37 -2.457 -6.642 10.110 1.00 0.00 O ATOM 0 H ASP A 37 -0.750 -3.514 7.229 1.00 0.00 H new ATOM 0 HA ASP A 37 0.304 -4.307 9.826 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.182 -6.159 8.015 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.307 -6.740 8.734 1.00 0.00 H new ATOM 371 N LYS A 38 2.438 -4.143 8.390 1.00 0.00 N ATOM 372 CA LYS A 38 3.693 -4.205 7.648 1.00 0.00 C ATOM 373 C LYS A 38 3.882 -5.609 7.082 1.00 0.00 C ATOM 374 O LYS A 38 4.031 -5.733 5.873 1.00 0.00 O ATOM 375 CB LYS A 38 4.868 -3.733 8.508 1.00 0.00 C ATOM 376 CG LYS A 38 6.149 -3.609 7.668 1.00 0.00 C ATOM 377 CD LYS A 38 6.216 -2.475 6.633 1.00 0.00 C ATOM 378 CE LYS A 38 5.998 -1.042 7.150 1.00 0.00 C ATOM 379 NZ LYS A 38 7.085 -0.521 8.011 1.00 0.00 N ATOM 0 H LYS A 38 2.520 -3.704 9.307 1.00 0.00 H new ATOM 0 HA LYS A 38 3.655 -3.517 6.803 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.630 -2.770 8.959 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.031 -4.436 9.325 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.989 -3.489 8.352 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.298 -4.552 7.143 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.192 -2.516 6.149 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.470 -2.674 5.864 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.880 -0.376 6.295 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.063 -1.011 7.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.855 0.447 8.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.187 -1.130 8.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.978 -0.515 7.477 1.00 0.00 H new ATOM 393 N GLU A 39 3.760 -6.655 7.912 1.00 0.00 N ATOM 394 CA GLU A 39 3.834 -8.053 7.488 1.00 0.00 C ATOM 395 C GLU A 39 2.956 -8.318 6.264 1.00 0.00 C ATOM 396 O GLU A 39 3.447 -8.749 5.220 1.00 0.00 O ATOM 397 CB GLU A 39 3.370 -9.012 8.601 1.00 0.00 C ATOM 398 CG GLU A 39 4.399 -9.341 9.683 1.00 0.00 C ATOM 399 CD GLU A 39 4.100 -10.740 10.242 1.00 0.00 C ATOM 400 OE1 GLU A 39 3.129 -10.898 11.021 1.00 0.00 O ATOM 401 OE2 GLU A 39 4.678 -11.732 9.746 1.00 0.00 O ATOM 0 H GLU A 39 3.604 -6.547 8.914 1.00 0.00 H new ATOM 0 HA GLU A 39 4.882 -8.234 7.248 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.493 -8.579 9.083 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.050 -9.945 8.137 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.406 -9.308 9.268 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.358 -8.599 10.481 1.00 0.00 H new ATOM 408 N LYS A 40 1.638 -8.140 6.412 1.00 0.00 N ATOM 409 CA LYS A 40 0.688 -8.658 5.431 1.00 0.00 C ATOM 410 C LYS A 40 0.733 -7.823 4.162 1.00 0.00 C ATOM 411 O LYS A 40 0.476 -8.357 3.088 1.00 0.00 O ATOM 412 CB LYS A 40 -0.747 -8.716 5.982 1.00 0.00 C ATOM 413 CG LYS A 40 -0.861 -9.227 7.424 1.00 0.00 C ATOM 414 CD LYS A 40 -0.239 -10.588 7.737 1.00 0.00 C ATOM 415 CE LYS A 40 0.062 -10.627 9.242 1.00 0.00 C ATOM 416 NZ LYS A 40 0.979 -11.722 9.602 1.00 0.00 N ATOM 0 H LYS A 40 1.212 -7.645 7.196 1.00 0.00 H new ATOM 0 HA LYS A 40 0.986 -9.681 5.201 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.182 -7.718 5.929 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.344 -9.359 5.335 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.403 -8.488 8.081 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.919 -9.272 7.683 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.921 -11.393 7.462 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.674 -10.733 7.160 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.498 -9.676 9.547 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.871 -10.742 9.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.564 -11.433 10.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.428 -12.566 9.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.593 -11.941 8.792 1.00 0.00 H new ATOM 430 N VAL A 41 1.076 -6.542 4.262 1.00 0.00 N ATOM 431 CA VAL A 41 1.248 -5.666 3.121 1.00 0.00 C ATOM 432 C VAL A 41 2.507 -6.086 2.356 1.00 0.00 C ATOM 433 O VAL A 41 2.419 -6.274 1.144 1.00 0.00 O ATOM 434 CB VAL A 41 1.236 -4.204 3.610 1.00 0.00 C ATOM 435 CG1 VAL A 41 1.566 -3.198 2.503 1.00 0.00 C ATOM 436 CG2 VAL A 41 -0.168 -3.866 4.145 1.00 0.00 C ATOM 0 H VAL A 41 1.244 -6.081 5.156 1.00 0.00 H new ATOM 0 HA VAL A 41 0.428 -5.748 2.407 1.00 0.00 H new ATOM 0 HB VAL A 41 2.002 -4.124 4.381 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.541 -2.187 2.911 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.560 -3.406 2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.832 -3.284 1.702 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.186 -2.833 4.493 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.901 -3.993 3.349 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.412 -4.532 4.972 1.00 0.00 H new ATOM 446 N ARG A 42 3.654 -6.278 3.014 1.00 0.00 N ATOM 447 CA ARG A 42 4.901 -6.700 2.390 1.00 0.00 C ATOM 448 C ARG A 42 4.765 -8.086 1.764 1.00 0.00 C ATOM 449 O ARG A 42 5.136 -8.286 0.607 1.00 0.00 O ATOM 450 CB ARG A 42 5.995 -6.566 3.458 1.00 0.00 C ATOM 451 CG ARG A 42 7.227 -7.455 3.311 1.00 0.00 C ATOM 452 CD ARG A 42 7.153 -8.585 4.347 1.00 0.00 C ATOM 453 NE ARG A 42 8.141 -8.382 5.416 1.00 0.00 N ATOM 454 CZ ARG A 42 8.453 -9.216 6.409 1.00 0.00 C ATOM 455 NH1 ARG A 42 7.798 -10.360 6.564 1.00 0.00 N ATOM 456 NH2 ARG A 42 9.440 -8.892 7.233 1.00 0.00 N ATOM 0 H ARG A 42 3.738 -6.139 4.021 1.00 0.00 H new ATOM 0 HA ARG A 42 5.176 -6.071 1.543 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.327 -5.528 3.472 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.545 -6.770 4.430 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.274 -7.870 2.304 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.134 -6.869 3.457 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.151 -8.626 4.775 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.331 -9.543 3.859 1.00 0.00 H new ATOM 0 HE ARG A 42 8.649 -7.498 5.396 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.047 -10.609 5.920 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.045 -10.990 7.327 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.947 -8.017 7.102 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.692 -9.518 7.998 1.00 0.00 H new ATOM 470 N GLU A 43 4.186 -9.046 2.482 1.00 0.00 N ATOM 471 CA GLU A 43 3.958 -10.363 1.890 1.00 0.00 C ATOM 472 C GLU A 43 3.023 -10.251 0.675 1.00 0.00 C ATOM 473 O GLU A 43 3.194 -10.978 -0.303 1.00 0.00 O ATOM 474 CB GLU A 43 3.413 -11.359 2.926 1.00 0.00 C ATOM 475 CG GLU A 43 3.623 -12.822 2.483 1.00 0.00 C ATOM 476 CD GLU A 43 5.013 -13.367 2.844 1.00 0.00 C ATOM 477 OE1 GLU A 43 6.038 -12.757 2.454 1.00 0.00 O ATOM 478 OE2 GLU A 43 5.073 -14.418 3.522 1.00 0.00 O ATOM 0 H GLU A 43 3.874 -8.943 3.448 1.00 0.00 H new ATOM 0 HA GLU A 43 4.917 -10.750 1.547 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.908 -11.195 3.883 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.350 -11.176 3.082 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.862 -13.449 2.947 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.480 -12.893 1.405 1.00 0.00 H new ATOM 485 N PHE A 44 2.039 -9.348 0.713 1.00 0.00 N ATOM 486 CA PHE A 44 1.129 -9.128 -0.399 1.00 0.00 C ATOM 487 C PHE A 44 1.851 -8.483 -1.591 1.00 0.00 C ATOM 488 O PHE A 44 1.671 -8.974 -2.699 1.00 0.00 O ATOM 489 CB PHE A 44 -0.114 -8.366 0.074 1.00 0.00 C ATOM 490 CG PHE A 44 -1.218 -8.236 -0.953 1.00 0.00 C ATOM 491 CD1 PHE A 44 -1.085 -7.361 -2.046 1.00 0.00 C ATOM 492 CD2 PHE A 44 -2.388 -9.014 -0.825 1.00 0.00 C ATOM 493 CE1 PHE A 44 -2.075 -7.320 -3.029 1.00 0.00 C ATOM 494 CE2 PHE A 44 -3.396 -8.942 -1.802 1.00 0.00 C ATOM 495 CZ PHE A 44 -3.229 -8.110 -2.916 1.00 0.00 C ATOM 0 H PHE A 44 1.856 -8.751 1.520 1.00 0.00 H new ATOM 0 HA PHE A 44 0.771 -10.088 -0.772 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.515 -8.868 0.954 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.189 -7.367 0.387 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.218 -6.722 -2.125 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.510 -9.667 0.027 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.952 -6.674 -3.885 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.297 -9.527 -1.694 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.986 -8.077 -3.686 1.00 0.00 H new ATOM 505 N ILE A 45 2.708 -7.463 -1.437 1.00 0.00 N ATOM 506 CA ILE A 45 3.441 -6.930 -2.599 1.00 0.00 C ATOM 507 C ILE A 45 4.377 -7.995 -3.195 1.00 0.00 C ATOM 508 O ILE A 45 4.542 -8.055 -4.409 1.00 0.00 O ATOM 509 CB ILE A 45 4.162 -5.585 -2.331 1.00 0.00 C ATOM 510 CG1 ILE A 45 5.403 -5.734 -1.434 1.00 0.00 C ATOM 511 CG2 ILE A 45 3.189 -4.538 -1.761 1.00 0.00 C ATOM 512 CD1 ILE A 45 6.096 -4.419 -1.084 1.00 0.00 C ATOM 0 H ILE A 45 2.908 -7.001 -0.550 1.00 0.00 H new ATOM 0 HA ILE A 45 2.688 -6.687 -3.349 1.00 0.00 H new ATOM 0 HB ILE A 45 4.522 -5.233 -3.297 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.109 -6.232 -0.510 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.120 -6.386 -1.933 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.723 -3.604 -1.583 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.383 -4.365 -2.474 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.772 -4.902 -0.822 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.959 -4.620 -0.450 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.425 -3.926 -1.999 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.399 -3.770 -0.553 1.00 0.00 H new ATOM 524 N PHE A 46 4.927 -8.904 -2.384 1.00 0.00 N ATOM 525 CA PHE A 46 5.674 -10.058 -2.891 1.00 0.00 C ATOM 526 C PHE A 46 4.782 -11.020 -3.699 1.00 0.00 C ATOM 527 O PHE A 46 5.287 -11.789 -4.522 1.00 0.00 O ATOM 528 CB PHE A 46 6.344 -10.786 -1.708 1.00 0.00 C ATOM 529 CG PHE A 46 7.822 -10.480 -1.523 1.00 0.00 C ATOM 530 CD1 PHE A 46 8.263 -9.150 -1.380 1.00 0.00 C ATOM 531 CD2 PHE A 46 8.761 -11.530 -1.458 1.00 0.00 C ATOM 532 CE1 PHE A 46 9.630 -8.875 -1.198 1.00 0.00 C ATOM 533 CE2 PHE A 46 10.125 -11.254 -1.253 1.00 0.00 C ATOM 534 CZ PHE A 46 10.561 -9.924 -1.124 1.00 0.00 C ATOM 0 H PHE A 46 4.868 -8.861 -1.367 1.00 0.00 H new ATOM 0 HA PHE A 46 6.439 -9.697 -3.579 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.816 -10.522 -0.792 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.225 -11.861 -1.847 1.00 0.00 H new ATOM 0 HD1 PHE A 46 7.550 -8.340 -1.410 1.00 0.00 H new ATOM 0 HD2 PHE A 46 8.431 -12.553 -1.566 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.966 -7.852 -1.115 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.837 -12.064 -1.195 1.00 0.00 H new ATOM 0 HZ PHE A 46 11.608 -9.709 -0.969 1.00 0.00 H new ATOM 544 N LYS A 47 3.471 -11.044 -3.454 1.00 0.00 N ATOM 545 CA LYS A 47 2.520 -11.981 -4.049 1.00 0.00 C ATOM 546 C LYS A 47 1.719 -11.384 -5.216 1.00 0.00 C ATOM 547 O LYS A 47 1.123 -12.155 -5.971 1.00 0.00 O ATOM 548 CB LYS A 47 1.563 -12.431 -2.936 1.00 0.00 C ATOM 549 CG LYS A 47 2.079 -13.656 -2.176 1.00 0.00 C ATOM 550 CD LYS A 47 1.091 -14.186 -1.129 1.00 0.00 C ATOM 551 CE LYS A 47 1.029 -13.408 0.185 1.00 0.00 C ATOM 552 NZ LYS A 47 0.755 -14.320 1.322 1.00 0.00 N ATOM 0 H LYS A 47 3.027 -10.387 -2.812 1.00 0.00 H new ATOM 0 HA LYS A 47 3.080 -12.816 -4.471 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.414 -11.609 -2.235 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.590 -12.660 -3.369 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.301 -14.450 -2.889 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.017 -13.400 -1.683 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.094 -14.196 -1.570 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.350 -15.221 -0.904 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.972 -12.887 0.350 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.250 -12.647 0.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.717 -13.772 2.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.156 -14.798 1.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.512 -15.030 1.388 1.00 0.00 H new ATOM 566 N TYR A 48 1.661 -10.064 -5.329 1.00 0.00 N ATOM 567 CA TYR A 48 0.792 -9.266 -6.202 1.00 0.00 C ATOM 568 C TYR A 48 1.581 -8.071 -6.783 1.00 0.00 C ATOM 569 O TYR A 48 2.815 -8.084 -6.776 1.00 0.00 O ATOM 570 CB TYR A 48 -0.432 -8.802 -5.405 1.00 0.00 C ATOM 571 CG TYR A 48 -1.381 -9.889 -4.921 1.00 0.00 C ATOM 572 CD1 TYR A 48 -1.105 -10.595 -3.736 1.00 0.00 C ATOM 573 CD2 TYR A 48 -2.596 -10.122 -5.591 1.00 0.00 C ATOM 574 CE1 TYR A 48 -2.003 -11.543 -3.219 1.00 0.00 C ATOM 575 CE2 TYR A 48 -3.548 -10.989 -5.031 1.00 0.00 C ATOM 576 CZ TYR A 48 -3.260 -11.702 -3.844 1.00 0.00 C ATOM 577 OH TYR A 48 -4.199 -12.532 -3.320 1.00 0.00 O ATOM 0 H TYR A 48 2.269 -9.468 -4.768 1.00 0.00 H new ATOM 0 HA TYR A 48 0.447 -9.870 -7.041 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -0.082 -8.244 -4.537 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -0.998 -8.106 -6.024 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.181 -10.403 -3.211 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -2.796 -9.635 -6.534 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -1.737 -12.140 -2.359 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.508 -11.112 -5.511 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.095 -12.571 -2.346 1.00 0.00 H new ATOM 587 N SER A 49 0.913 -7.047 -7.332 1.00 0.00 N ATOM 588 CA SER A 49 1.524 -5.830 -7.867 1.00 0.00 C ATOM 589 C SER A 49 0.857 -4.566 -7.310 1.00 0.00 C ATOM 590 O SER A 49 0.668 -3.567 -8.004 1.00 0.00 O ATOM 591 CB SER A 49 1.543 -5.903 -9.400 1.00 0.00 C ATOM 592 OG SER A 49 2.561 -5.083 -9.943 1.00 0.00 O ATOM 0 H SER A 49 -0.103 -7.047 -7.417 1.00 0.00 H new ATOM 0 HA SER A 49 2.560 -5.762 -7.534 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.698 -6.935 -9.715 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.575 -5.592 -9.793 1.00 0.00 H new ATOM 0 HG SER A 49 2.549 -5.151 -10.921 1.00 0.00 H new ATOM 598 N VAL A 50 0.580 -4.583 -6.003 1.00 0.00 N ATOM 599 CA VAL A 50 0.277 -3.434 -5.145 1.00 0.00 C ATOM 600 C VAL A 50 -1.118 -2.845 -5.387 1.00 0.00 C ATOM 601 O VAL A 50 -1.877 -2.707 -4.429 1.00 0.00 O ATOM 602 CB VAL A 50 1.375 -2.348 -5.224 1.00 0.00 C ATOM 603 CG1 VAL A 50 1.139 -1.265 -4.169 1.00 0.00 C ATOM 604 CG2 VAL A 50 2.779 -2.924 -5.017 1.00 0.00 C ATOM 0 H VAL A 50 0.560 -5.459 -5.481 1.00 0.00 H new ATOM 0 HA VAL A 50 0.268 -3.822 -4.126 1.00 0.00 H new ATOM 0 HB VAL A 50 1.315 -1.924 -6.226 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.922 -0.510 -4.241 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.169 -0.798 -4.338 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.158 -1.714 -3.176 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.514 -2.122 -5.082 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.839 -3.393 -4.035 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.984 -3.668 -5.787 1.00 0.00 H new ATOM 614 N GLN A 51 -1.487 -2.518 -6.623 1.00 0.00 N ATOM 615 CA GLN A 51 -2.822 -2.061 -6.991 1.00 0.00 C ATOM 616 C GLN A 51 -3.847 -3.115 -6.589 1.00 0.00 C ATOM 617 O GLN A 51 -4.944 -2.786 -6.141 1.00 0.00 O ATOM 618 CB GLN A 51 -2.817 -1.741 -8.490 1.00 0.00 C ATOM 619 CG GLN A 51 -4.211 -1.476 -9.080 1.00 0.00 C ATOM 620 CD GLN A 51 -4.730 -2.718 -9.789 1.00 0.00 C ATOM 621 OE1 GLN A 51 -4.440 -2.936 -10.961 1.00 0.00 O ATOM 622 NE2 GLN A 51 -5.467 -3.562 -9.095 1.00 0.00 N ATOM 0 H GLN A 51 -0.848 -2.565 -7.416 1.00 0.00 H new ATOM 0 HA GLN A 51 -3.104 -1.150 -6.463 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.189 -0.867 -8.662 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.359 -2.572 -9.026 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.900 -1.187 -8.286 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.164 -0.642 -9.780 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -5.695 -3.359 -8.122 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.809 -4.418 -9.531 1.00 0.00 H new ATOM 631 N ASP A 52 -3.478 -4.387 -6.709 1.00 0.00 N ATOM 632 CA ASP A 52 -4.323 -5.518 -6.360 1.00 0.00 C ATOM 633 C ASP A 52 -4.729 -5.419 -4.893 1.00 0.00 C ATOM 634 O ASP A 52 -5.868 -5.725 -4.569 1.00 0.00 O ATOM 635 CB ASP A 52 -3.589 -6.846 -6.586 1.00 0.00 C ATOM 636 CG ASP A 52 -2.821 -6.941 -7.903 1.00 0.00 C ATOM 637 OD1 ASP A 52 -1.741 -6.320 -7.973 1.00 0.00 O ATOM 638 OD2 ASP A 52 -3.278 -7.675 -8.812 1.00 0.00 O ATOM 0 H ASP A 52 -2.561 -4.663 -7.060 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.206 -5.492 -6.999 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.891 -7.003 -5.763 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.316 -7.657 -6.547 1.00 0.00 H new ATOM 643 N LEU A 53 -3.836 -4.966 -3.998 1.00 0.00 N ATOM 644 CA LEU A 53 -4.144 -4.786 -2.581 1.00 0.00 C ATOM 645 C LEU A 53 -5.333 -3.861 -2.431 1.00 0.00 C ATOM 646 O LEU A 53 -6.265 -4.175 -1.701 1.00 0.00 O ATOM 647 CB LEU A 53 -2.939 -4.187 -1.837 1.00 0.00 C ATOM 648 CG LEU A 53 -3.178 -3.912 -0.343 1.00 0.00 C ATOM 649 CD1 LEU A 53 -3.352 -5.217 0.441 1.00 0.00 C ATOM 650 CD2 LEU A 53 -2.015 -3.057 0.180 1.00 0.00 C ATOM 0 H LEU A 53 -2.878 -4.715 -4.244 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.376 -5.760 -2.151 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.093 -4.867 -1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.656 -3.254 -2.324 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.108 -3.361 -0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.519 -4.989 1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.208 -5.766 0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.453 -5.825 0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.164 -2.849 1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.077 -3.596 0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.977 -2.118 -0.372 1.00 0.00 H new ATOM 662 N LEU A 54 -5.279 -2.704 -3.085 1.00 0.00 N ATOM 663 CA LEU A 54 -6.280 -1.676 -2.891 1.00 0.00 C ATOM 664 C LEU A 54 -7.631 -2.184 -3.382 1.00 0.00 C ATOM 665 O LEU A 54 -8.616 -1.960 -2.686 1.00 0.00 O ATOM 666 CB LEU A 54 -5.868 -0.376 -3.603 1.00 0.00 C ATOM 667 CG LEU A 54 -4.506 0.192 -3.164 1.00 0.00 C ATOM 668 CD1 LEU A 54 -4.184 1.476 -3.931 1.00 0.00 C ATOM 669 CD2 LEU A 54 -4.433 0.453 -1.656 1.00 0.00 C ATOM 0 H LEU A 54 -4.548 -2.461 -3.754 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.364 -1.447 -1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.841 -0.558 -4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.635 0.378 -3.427 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.762 -0.569 -3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.218 1.861 -3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.149 1.263 -4.999 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.956 2.220 -3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.451 0.853 -1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.201 1.173 -1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.595 -0.480 -1.117 1.00 0.00 H new ATOM 681 N VAL A 55 -7.662 -2.902 -4.512 1.00 0.00 N ATOM 682 CA VAL A 55 -8.840 -3.601 -5.027 1.00 0.00 C ATOM 683 C VAL A 55 -9.359 -4.589 -3.975 1.00 0.00 C ATOM 684 O VAL A 55 -10.506 -4.510 -3.539 1.00 0.00 O ATOM 685 CB VAL A 55 -8.498 -4.280 -6.377 1.00 0.00 C ATOM 686 CG1 VAL A 55 -9.629 -5.172 -6.890 1.00 0.00 C ATOM 687 CG2 VAL A 55 -8.184 -3.248 -7.461 1.00 0.00 C ATOM 0 H VAL A 55 -6.842 -3.014 -5.109 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.645 -2.893 -5.222 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.621 -4.895 -6.176 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.336 -5.622 -7.838 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.831 -5.958 -6.162 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.528 -4.573 -7.036 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.949 -3.760 -8.394 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.049 -2.602 -7.610 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.330 -2.645 -7.153 1.00 0.00 H new ATOM 697 N ARG A 56 -8.511 -5.518 -3.534 1.00 0.00 N ATOM 698 CA ARG A 56 -8.850 -6.585 -2.593 1.00 0.00 C ATOM 699 C ARG A 56 -9.477 -6.038 -1.321 1.00 0.00 C ATOM 700 O ARG A 56 -10.476 -6.564 -0.831 1.00 0.00 O ATOM 701 CB ARG A 56 -7.558 -7.342 -2.266 1.00 0.00 C ATOM 702 CG ARG A 56 -7.114 -8.206 -3.448 1.00 0.00 C ATOM 703 CD ARG A 56 -7.413 -9.656 -3.133 1.00 0.00 C ATOM 704 NE ARG A 56 -7.118 -10.513 -4.288 1.00 0.00 N ATOM 705 CZ ARG A 56 -7.104 -11.849 -4.296 1.00 0.00 C ATOM 706 NH1 ARG A 56 -7.370 -12.546 -3.194 1.00 0.00 N ATOM 707 NH2 ARG A 56 -6.828 -12.483 -5.427 1.00 0.00 N ATOM 0 H ARG A 56 -7.536 -5.549 -3.832 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.587 -7.248 -3.046 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.770 -6.632 -2.014 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.713 -7.971 -1.389 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.636 -7.902 -4.355 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.048 -8.072 -3.634 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.820 -9.976 -2.276 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.461 -9.763 -2.853 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.903 -10.044 -5.168 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.589 -12.061 -2.324 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.355 -13.566 -3.219 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.630 -11.951 -6.275 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.813 -13.503 -5.450 1.00 0.00 H new ATOM 721 N VAL A 57 -8.834 -5.035 -0.743 1.00 0.00 N ATOM 722 CA VAL A 57 -9.312 -4.361 0.452 1.00 0.00 C ATOM 723 C VAL A 57 -10.639 -3.657 0.147 1.00 0.00 C ATOM 724 O VAL A 57 -11.593 -3.879 0.888 1.00 0.00 O ATOM 725 CB VAL A 57 -8.249 -3.355 0.950 1.00 0.00 C ATOM 726 CG1 VAL A 57 -8.694 -2.632 2.228 1.00 0.00 C ATOM 727 CG2 VAL A 57 -6.841 -3.921 1.195 1.00 0.00 C ATOM 0 H VAL A 57 -7.953 -4.662 -1.097 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.483 -5.092 1.243 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.172 -2.667 0.108 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.916 -1.935 2.541 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.616 -2.084 2.034 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.866 -3.363 3.018 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.183 -3.124 1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.890 -4.705 1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.449 -4.337 0.267 1.00 0.00 H new ATOM 737 N ALA A 58 -10.697 -2.806 -0.886 1.00 0.00 N ATOM 738 CA ALA A 58 -11.840 -1.939 -1.181 1.00 0.00 C ATOM 739 C ALA A 58 -13.130 -2.732 -1.340 1.00 0.00 C ATOM 740 O ALA A 58 -14.169 -2.301 -0.846 1.00 0.00 O ATOM 741 CB ALA A 58 -11.576 -1.144 -2.459 1.00 0.00 C ATOM 0 H ALA A 58 -9.933 -2.701 -1.553 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.961 -1.262 -0.336 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.431 -0.502 -2.671 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.685 -0.530 -2.328 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.424 -1.832 -3.291 1.00 0.00 H new ATOM 747 N GLU A 59 -13.023 -3.879 -2.002 1.00 0.00 N ATOM 748 CA GLU A 59 -14.102 -4.794 -2.328 1.00 0.00 C ATOM 749 C GLU A 59 -14.648 -5.476 -1.071 1.00 0.00 C ATOM 750 O GLU A 59 -15.857 -5.672 -0.938 1.00 0.00 O ATOM 751 CB GLU A 59 -13.490 -5.817 -3.279 1.00 0.00 C ATOM 752 CG GLU A 59 -14.458 -6.653 -4.112 1.00 0.00 C ATOM 753 CD GLU A 59 -14.967 -5.893 -5.332 1.00 0.00 C ATOM 754 OE1 GLU A 59 -14.128 -5.555 -6.202 1.00 0.00 O ATOM 755 OE2 GLU A 59 -16.196 -5.687 -5.442 1.00 0.00 O ATOM 0 H GLU A 59 -12.122 -4.212 -2.345 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.946 -4.273 -2.780 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.824 -5.289 -3.962 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.872 -6.497 -2.693 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.961 -7.567 -4.436 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.304 -6.952 -3.493 1.00 0.00 H new ATOM 762 N ASP A 60 -13.759 -5.819 -0.131 1.00 0.00 N ATOM 763 CA ASP A 60 -14.126 -6.347 1.182 1.00 0.00 C ATOM 764 C ASP A 60 -14.785 -5.265 2.040 1.00 0.00 C ATOM 765 O ASP A 60 -15.631 -5.543 2.892 1.00 0.00 O ATOM 766 CB ASP A 60 -12.872 -6.816 1.921 1.00 0.00 C ATOM 767 CG ASP A 60 -13.237 -7.612 3.176 1.00 0.00 C ATOM 768 OD1 ASP A 60 -13.957 -8.634 3.099 1.00 0.00 O ATOM 769 OD2 ASP A 60 -12.788 -7.186 4.267 1.00 0.00 O ATOM 0 H ASP A 60 -12.751 -5.735 -0.266 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.820 -7.172 1.024 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.265 -7.434 1.259 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.265 -5.954 2.197 1.00 0.00 H new ATOM 774 N ARG A 61 -14.334 -4.027 1.854 1.00 0.00 N ATOM 775 CA ARG A 61 -14.841 -2.769 2.399 1.00 0.00 C ATOM 776 C ARG A 61 -16.021 -2.285 1.550 1.00 0.00 C ATOM 777 O ARG A 61 -16.678 -3.071 0.871 1.00 0.00 O ATOM 778 CB ARG A 61 -13.694 -1.734 2.467 1.00 0.00 C ATOM 779 CG ARG A 61 -12.526 -2.150 3.365 1.00 0.00 C ATOM 780 CD ARG A 61 -12.883 -1.978 4.840 1.00 0.00 C ATOM 781 NE ARG A 61 -12.146 -2.927 5.677 1.00 0.00 N ATOM 782 CZ ARG A 61 -12.426 -4.218 5.850 1.00 0.00 C ATOM 783 NH1 ARG A 61 -13.472 -4.763 5.239 1.00 0.00 N ATOM 784 NH2 ARG A 61 -11.636 -4.975 6.600 1.00 0.00 N ATOM 0 H ARG A 61 -13.523 -3.863 1.258 1.00 0.00 H new ATOM 0 HA ARG A 61 -15.208 -2.912 3.415 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.318 -1.558 1.459 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -14.095 -0.787 2.827 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.264 -3.190 3.169 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.648 -1.550 3.127 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.657 -0.959 5.155 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.954 -2.124 4.977 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.336 -2.563 6.179 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.064 -4.193 4.635 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.683 -5.752 5.374 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.813 -4.569 7.045 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.852 -5.963 6.732 1.00 0.00 H new ATOM 798 N ASN A 62 -16.374 -1.008 1.696 1.00 0.00 N ATOM 799 CA ASN A 62 -17.329 -0.318 0.834 1.00 0.00 C ATOM 800 C ASN A 62 -16.651 0.880 0.187 1.00 0.00 C ATOM 801 O ASN A 62 -17.138 2.013 0.237 1.00 0.00 O ATOM 802 CB ASN A 62 -18.543 0.067 1.658 1.00 0.00 C ATOM 803 CG ASN A 62 -19.679 0.516 0.749 1.00 0.00 C ATOM 804 OD1 ASN A 62 -20.056 -0.167 -0.196 1.00 0.00 O ATOM 805 ND2 ASN A 62 -20.246 1.676 0.992 1.00 0.00 N ATOM 0 H ASN A 62 -15.995 -0.413 2.433 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.670 -0.966 0.027 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -18.865 -0.782 2.262 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -18.282 0.869 2.349 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -21.002 2.010 0.394 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -19.931 2.243 1.779 1.00 0.00 H new ATOM 812 N LEU A 63 -15.456 0.638 -0.334 1.00 0.00 N ATOM 813 CA LEU A 63 -14.573 1.633 -0.930 1.00 0.00 C ATOM 814 C LEU A 63 -14.494 1.386 -2.436 1.00 0.00 C ATOM 815 O LEU A 63 -15.278 0.597 -2.969 1.00 0.00 O ATOM 816 CB LEU A 63 -13.221 1.655 -0.196 1.00 0.00 C ATOM 817 CG LEU A 63 -13.355 1.923 1.318 1.00 0.00 C ATOM 818 CD1 LEU A 63 -11.971 1.876 1.969 1.00 0.00 C ATOM 819 CD2 LEU A 63 -13.964 3.295 1.596 1.00 0.00 C ATOM 0 H LEU A 63 -15.057 -0.300 -0.354 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.968 2.642 -0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.718 0.700 -0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.587 2.422 -0.639 1.00 0.00 H new ATOM 0 HG LEU A 63 -14.010 1.156 1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.065 2.065 3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.528 0.892 1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.332 2.637 1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -14.042 3.447 2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.329 4.069 1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -14.956 3.350 1.149 1.00 0.00 H new ATOM 831 N ASP A 64 -13.594 2.082 -3.134 1.00 0.00 N ATOM 832 CA ASP A 64 -13.405 1.933 -4.575 1.00 0.00 C ATOM 833 C ASP A 64 -11.933 2.142 -4.797 1.00 0.00 C ATOM 834 O ASP A 64 -11.450 3.191 -4.353 1.00 0.00 O ATOM 835 CB ASP A 64 -14.126 3.008 -5.401 1.00 0.00 C ATOM 836 CG ASP A 64 -14.259 2.555 -6.853 1.00 0.00 C ATOM 837 OD1 ASP A 64 -13.219 2.259 -7.480 1.00 0.00 O ATOM 838 OD2 ASP A 64 -15.397 2.513 -7.376 1.00 0.00 O ATOM 0 H ASP A 64 -12.972 2.770 -2.710 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.797 0.964 -4.885 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -15.113 3.199 -4.980 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.572 3.946 -5.354 1.00 0.00 H new ATOM 843 N VAL A 65 -11.246 1.195 -5.437 1.00 0.00 N ATOM 844 CA VAL A 65 -9.813 1.238 -5.738 1.00 0.00 C ATOM 845 C VAL A 65 -9.423 2.608 -6.284 1.00 0.00 C ATOM 846 O VAL A 65 -8.366 3.123 -5.935 1.00 0.00 O ATOM 847 CB VAL A 65 -9.432 0.087 -6.683 1.00 0.00 C ATOM 848 CG1 VAL A 65 -10.172 0.161 -8.014 1.00 0.00 C ATOM 849 CG2 VAL A 65 -7.922 0.041 -6.954 1.00 0.00 C ATOM 0 H VAL A 65 -11.691 0.341 -5.774 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.244 1.094 -4.819 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.730 -0.825 -6.166 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.868 -0.674 -8.646 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -11.246 0.110 -7.836 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.931 1.100 -8.512 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.698 -0.787 -7.626 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.606 0.977 -7.414 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.388 -0.100 -6.014 1.00 0.00 H new ATOM 859 N GLU A 66 -10.297 3.226 -7.075 1.00 0.00 N ATOM 860 CA GLU A 66 -10.058 4.506 -7.703 1.00 0.00 C ATOM 861 C GLU A 66 -9.747 5.566 -6.657 1.00 0.00 C ATOM 862 O GLU A 66 -8.824 6.364 -6.845 1.00 0.00 O ATOM 863 CB GLU A 66 -11.300 4.869 -8.517 1.00 0.00 C ATOM 864 CG GLU A 66 -11.539 3.881 -9.662 1.00 0.00 C ATOM 865 CD GLU A 66 -10.618 4.176 -10.851 1.00 0.00 C ATOM 866 OE1 GLU A 66 -9.375 4.051 -10.736 1.00 0.00 O ATOM 867 OE2 GLU A 66 -11.125 4.695 -11.875 1.00 0.00 O ATOM 0 H GLU A 66 -11.212 2.833 -7.297 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.192 4.451 -8.363 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.172 4.885 -7.863 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.188 5.875 -8.922 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.368 2.864 -9.310 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.579 3.936 -9.982 1.00 0.00 H new ATOM 874 N VAL A 67 -10.481 5.572 -5.545 1.00 0.00 N ATOM 875 CA VAL A 67 -10.208 6.563 -4.508 1.00 0.00 C ATOM 876 C VAL A 67 -8.853 6.258 -3.825 1.00 0.00 C ATOM 877 O VAL A 67 -8.029 7.167 -3.671 1.00 0.00 O ATOM 878 CB VAL A 67 -11.405 6.697 -3.551 1.00 0.00 C ATOM 879 CG1 VAL A 67 -11.253 7.989 -2.730 1.00 0.00 C ATOM 880 CG2 VAL A 67 -12.745 6.786 -4.313 1.00 0.00 C ATOM 0 H VAL A 67 -11.244 4.925 -5.343 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.096 7.553 -4.951 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.415 5.812 -2.915 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.099 8.089 -2.050 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.328 7.948 -2.155 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.225 8.846 -3.403 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -13.564 6.880 -3.600 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.734 7.657 -4.969 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.885 5.885 -4.910 1.00 0.00 H new ATOM 890 N LEU A 68 -8.547 5.007 -3.446 1.00 0.00 N ATOM 891 CA LEU A 68 -7.265 4.645 -2.879 1.00 0.00 C ATOM 892 C LEU A 68 -6.100 4.954 -3.812 1.00 0.00 C ATOM 893 O LEU A 68 -5.047 5.360 -3.333 1.00 0.00 O ATOM 894 CB LEU A 68 -7.305 3.166 -2.589 1.00 0.00 C ATOM 895 CG LEU A 68 -8.488 2.783 -1.691 1.00 0.00 C ATOM 896 CD1 LEU A 68 -9.114 3.804 -0.731 1.00 0.00 C ATOM 897 CD2 LEU A 68 -9.501 1.926 -2.386 1.00 0.00 C ATOM 0 H LEU A 68 -9.195 4.223 -3.530 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.101 5.233 -1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.370 2.615 -3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.374 2.867 -2.108 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.946 2.189 -0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.935 3.337 -0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.360 4.148 -0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.492 4.654 -1.300 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -10.312 1.690 -1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -9.901 2.461 -3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -9.028 1.002 -2.720 1.00 0.00 H new ATOM 909 N ASN A 69 -6.273 4.761 -5.122 1.00 0.00 N ATOM 910 CA ASN A 69 -5.260 5.032 -6.136 1.00 0.00 C ATOM 911 C ASN A 69 -4.845 6.493 -6.039 1.00 0.00 C ATOM 912 O ASN A 69 -3.653 6.801 -6.063 1.00 0.00 O ATOM 913 CB ASN A 69 -5.797 4.755 -7.546 1.00 0.00 C ATOM 914 CG ASN A 69 -5.871 3.287 -7.924 1.00 0.00 C ATOM 915 OD1 ASN A 69 -5.106 2.458 -7.430 1.00 0.00 O ATOM 916 ND2 ASN A 69 -6.784 2.968 -8.829 1.00 0.00 N ATOM 0 H ASN A 69 -7.144 4.403 -5.513 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.407 4.376 -5.959 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.794 5.188 -7.631 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.163 5.270 -8.268 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.874 2.002 -9.144 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.397 3.688 -9.211 1.00 0.00 H new ATOM 923 N GLN A 70 -5.831 7.383 -5.929 1.00 0.00 N ATOM 924 CA GLN A 70 -5.594 8.811 -5.734 1.00 0.00 C ATOM 925 C GLN A 70 -4.777 9.081 -4.459 1.00 0.00 C ATOM 926 O GLN A 70 -3.681 9.641 -4.550 1.00 0.00 O ATOM 927 CB GLN A 70 -6.921 9.588 -5.801 1.00 0.00 C ATOM 928 CG GLN A 70 -7.089 10.220 -7.192 1.00 0.00 C ATOM 929 CD GLN A 70 -8.286 11.162 -7.272 1.00 0.00 C ATOM 930 OE1 GLN A 70 -8.167 12.380 -7.176 1.00 0.00 O ATOM 931 NE2 GLN A 70 -9.470 10.633 -7.504 1.00 0.00 N ATOM 0 H GLN A 70 -6.819 7.132 -5.973 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.976 9.184 -6.551 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -7.755 8.918 -5.593 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.937 10.364 -5.035 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.183 10.769 -7.449 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -7.204 9.430 -7.934 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.570 9.621 -7.584 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.287 11.235 -7.604 1.00 0.00 H new ATOM 940 N VAL A 71 -5.225 8.649 -3.274 1.00 0.00 N ATOM 941 CA VAL A 71 -4.466 8.871 -2.032 1.00 0.00 C ATOM 942 C VAL A 71 -3.079 8.218 -2.074 1.00 0.00 C ATOM 943 O VAL A 71 -2.117 8.787 -1.552 1.00 0.00 O ATOM 944 CB VAL A 71 -5.294 8.457 -0.812 1.00 0.00 C ATOM 945 CG1 VAL A 71 -4.526 8.667 0.495 1.00 0.00 C ATOM 946 CG2 VAL A 71 -6.542 9.347 -0.749 1.00 0.00 C ATOM 0 H VAL A 71 -6.103 8.147 -3.146 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.274 9.940 -1.938 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.539 7.400 -0.917 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.148 8.361 1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.615 8.069 0.482 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.267 9.721 0.600 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.145 9.067 0.115 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.240 10.391 -0.658 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.128 9.217 -1.659 1.00 0.00 H new ATOM 956 N ARG A 72 -2.932 7.067 -2.726 1.00 0.00 N ATOM 957 CA ARG A 72 -1.650 6.406 -2.923 1.00 0.00 C ATOM 958 C ARG A 72 -0.684 7.313 -3.692 1.00 0.00 C ATOM 959 O ARG A 72 0.499 7.348 -3.370 1.00 0.00 O ATOM 960 CB ARG A 72 -1.914 5.071 -3.631 1.00 0.00 C ATOM 961 CG ARG A 72 -0.628 4.324 -3.973 1.00 0.00 C ATOM 962 CD ARG A 72 -0.910 3.079 -4.815 1.00 0.00 C ATOM 963 NE ARG A 72 -0.181 3.148 -6.082 1.00 0.00 N ATOM 964 CZ ARG A 72 -0.531 3.798 -7.193 1.00 0.00 C ATOM 965 NH1 ARG A 72 -1.610 4.578 -7.223 1.00 0.00 N ATOM 966 NH2 ARG A 72 0.224 3.649 -8.273 1.00 0.00 N ATOM 0 H ARG A 72 -3.716 6.561 -3.138 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.164 6.203 -1.969 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.536 4.443 -2.994 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.478 5.254 -4.546 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.046 4.987 -4.516 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.118 4.035 -3.054 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.614 2.185 -4.266 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.980 2.996 -5.007 1.00 0.00 H new ATOM 0 HE ARG A 72 0.701 2.637 -6.120 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.184 4.686 -6.387 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.862 5.067 -8.082 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.048 3.049 -8.240 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -0.020 4.134 -9.137 1.00 0.00 H new ATOM 980 N ALA A 73 -1.150 8.089 -4.672 1.00 0.00 N ATOM 981 CA ALA A 73 -0.269 9.022 -5.369 1.00 0.00 C ATOM 982 C ALA A 73 0.297 10.081 -4.407 1.00 0.00 C ATOM 983 O ALA A 73 1.412 10.566 -4.612 1.00 0.00 O ATOM 984 CB ALA A 73 -1.015 9.666 -6.541 1.00 0.00 C ATOM 0 H ALA A 73 -2.117 8.090 -4.996 1.00 0.00 H new ATOM 0 HA ALA A 73 0.582 8.469 -5.766 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.352 10.361 -7.057 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.340 8.891 -7.236 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.885 10.205 -6.166 1.00 0.00 H new ATOM 990 N GLN A 74 -0.434 10.422 -3.338 1.00 0.00 N ATOM 991 CA GLN A 74 0.007 11.394 -2.348 1.00 0.00 C ATOM 992 C GLN A 74 1.139 10.885 -1.460 1.00 0.00 C ATOM 993 O GLN A 74 1.757 11.727 -0.804 1.00 0.00 O ATOM 994 CB GLN A 74 -1.144 11.824 -1.422 1.00 0.00 C ATOM 995 CG GLN A 74 -2.458 12.113 -2.141 1.00 0.00 C ATOM 996 CD GLN A 74 -2.347 13.210 -3.184 1.00 0.00 C ATOM 997 OE1 GLN A 74 -1.527 14.129 -3.101 1.00 0.00 O ATOM 998 NE2 GLN A 74 -3.187 13.135 -4.189 1.00 0.00 N ATOM 0 H GLN A 74 -1.353 10.025 -3.141 1.00 0.00 H new ATOM 0 HA GLN A 74 0.368 12.237 -2.937 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.313 11.040 -0.684 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.840 12.716 -0.875 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.809 11.200 -2.621 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.211 12.396 -1.406 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.856 12.367 -4.238 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.171 13.845 -4.921 1.00 0.00 H new