USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 500 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 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 25:sc= -3.29! USER MOD Single : A 15 ASN : amide:sc= -0.423 K(o=-0.42,f=-2.4!) USER MOD Single : A 16 LYS NZ :NH3+ -156:sc= -0.178 (180deg=-0.801) USER MOD Single : A 18 LYS NZ :NH3+ 140:sc= 0.475 (180deg=-0.293) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.149 USER MOD Single : A 30 SER OG : rot 78:sc= 0.445 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 37 THR OG1 : rot 77:sc= 1.26 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -3.44 K(o=-3.4,f=-0.76) USER MOD Single : A 69 GLN : amide:sc= 0.12 K(o=0.12,f=-2.2!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : B 3 GLN : amide:sc= -5.31! K(o=-5.3!,f=-2.1) USER MOD Single : B 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 11 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 131 N ALA A 10 -6.503 7.884 -4.375 1.00 0.00 N ATOM 132 CA ALA A 10 -5.839 6.911 -3.521 1.00 0.00 C ATOM 133 C ALA A 10 -6.636 6.700 -2.241 1.00 0.00 C ATOM 134 O ALA A 10 -6.723 5.584 -1.720 1.00 0.00 O ATOM 135 CB ALA A 10 -4.425 7.372 -3.199 1.00 0.00 C ATOM 0 HA ALA A 10 -5.781 5.961 -4.052 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.939 6.635 -2.559 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.858 7.480 -4.124 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.464 8.331 -2.683 1.00 0.00 H new ATOM 141 N ILE A 11 -7.220 7.788 -1.742 1.00 0.00 N ATOM 142 CA ILE A 11 -8.019 7.741 -0.525 1.00 0.00 C ATOM 143 C ILE A 11 -9.086 6.664 -0.618 1.00 0.00 C ATOM 144 O ILE A 11 -9.339 5.947 0.345 1.00 0.00 O ATOM 145 CB ILE A 11 -8.716 9.086 -0.245 1.00 0.00 C ATOM 146 CG1 ILE A 11 -7.696 10.218 -0.105 1.00 0.00 C ATOM 147 CG2 ILE A 11 -9.574 8.977 1.005 1.00 0.00 C ATOM 148 CD1 ILE A 11 -6.730 10.042 1.047 1.00 0.00 C ATOM 0 H ILE A 11 -7.153 8.714 -2.165 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.329 7.518 0.289 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.358 9.323 -1.093 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.128 10.297 -1.032 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.230 11.160 0.023 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.063 9.932 1.195 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.330 8.205 0.861 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.945 8.715 1.856 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.041 10.886 1.076 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.286 9.994 1.984 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.167 9.119 0.912 1.00 0.00 H new ATOM 160 N SER A 12 -9.720 6.569 -1.781 1.00 0.00 N ATOM 161 CA SER A 12 -10.774 5.586 -1.995 1.00 0.00 C ATOM 162 C SER A 12 -10.260 4.169 -1.769 1.00 0.00 C ATOM 163 O SER A 12 -10.974 3.328 -1.224 1.00 0.00 O ATOM 164 CB SER A 12 -11.354 5.717 -3.405 1.00 0.00 C ATOM 165 OG SER A 12 -12.377 4.762 -3.627 1.00 0.00 O ATOM 0 H SER A 12 -9.523 7.160 -2.589 1.00 0.00 H new ATOM 0 HA SER A 12 -11.564 5.782 -1.270 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.753 6.721 -3.545 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.562 5.583 -4.141 1.00 0.00 H new ATOM 0 HG SER A 12 -12.732 4.868 -4.534 1.00 0.00 H new ATOM 171 N TYR A 13 -9.020 3.903 -2.177 1.00 0.00 N ATOM 172 CA TYR A 13 -8.440 2.582 -1.992 1.00 0.00 C ATOM 173 C TYR A 13 -8.328 2.274 -0.509 1.00 0.00 C ATOM 174 O TYR A 13 -8.825 1.255 -0.029 1.00 0.00 O ATOM 175 CB TYR A 13 -7.054 2.502 -2.635 1.00 0.00 C ATOM 176 CG TYR A 13 -6.408 1.142 -2.493 1.00 0.00 C ATOM 177 CD1 TYR A 13 -7.090 -0.012 -2.854 1.00 0.00 C ATOM 178 CD2 TYR A 13 -5.123 1.012 -1.984 1.00 0.00 C ATOM 179 CE1 TYR A 13 -6.510 -1.258 -2.716 1.00 0.00 C ATOM 180 CE2 TYR A 13 -4.536 -0.230 -1.840 1.00 0.00 C ATOM 181 CZ TYR A 13 -5.233 -1.362 -2.208 1.00 0.00 C ATOM 182 OH TYR A 13 -4.654 -2.601 -2.059 1.00 0.00 O ATOM 0 H TYR A 13 -8.407 4.579 -2.632 1.00 0.00 H new ATOM 0 HA TYR A 13 -9.090 1.851 -2.472 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -7.137 2.749 -3.693 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.407 3.253 -2.182 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -8.092 0.066 -3.250 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.574 1.896 -1.696 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -7.054 -2.145 -3.004 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.536 -0.314 -1.441 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.063 -3.231 -2.688 1.00 0.00 H new ATOM 192 N VAL A 14 -7.676 3.178 0.210 1.00 0.00 N ATOM 193 CA VAL A 14 -7.492 3.034 1.648 1.00 0.00 C ATOM 194 C VAL A 14 -8.838 2.979 2.365 1.00 0.00 C ATOM 195 O VAL A 14 -9.020 2.225 3.322 1.00 0.00 O ATOM 196 CB VAL A 14 -6.669 4.207 2.217 1.00 0.00 C ATOM 197 CG1 VAL A 14 -6.433 4.026 3.708 1.00 0.00 C ATOM 198 CG2 VAL A 14 -5.350 4.342 1.473 1.00 0.00 C ATOM 0 H VAL A 14 -7.263 4.024 -0.182 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.954 2.101 1.816 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.237 5.126 2.075 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.850 4.865 4.089 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.391 3.985 4.226 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.888 3.098 3.880 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.782 5.175 1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.776 3.422 1.581 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.545 4.526 0.417 1.00 0.00 H new ATOM 208 N ASN A 15 -9.773 3.792 1.892 1.00 0.00 N ATOM 209 CA ASN A 15 -11.109 3.866 2.468 1.00 0.00 C ATOM 210 C ASN A 15 -11.853 2.542 2.320 1.00 0.00 C ATOM 211 O ASN A 15 -12.453 2.046 3.273 1.00 0.00 O ATOM 212 CB ASN A 15 -11.897 4.992 1.793 1.00 0.00 C ATOM 213 CG ASN A 15 -13.303 5.131 2.343 1.00 0.00 C ATOM 214 OD1 ASN A 15 -14.127 4.226 2.213 1.00 0.00 O ATOM 215 ND2 ASN A 15 -13.584 6.267 2.968 1.00 0.00 N ATOM 0 H ASN A 15 -9.627 4.418 1.100 1.00 0.00 H new ATOM 0 HA ASN A 15 -11.012 4.075 3.533 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.364 5.934 1.926 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -11.947 4.803 0.721 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -14.513 6.416 3.363 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.871 6.992 3.054 1.00 0.00 H new ATOM 222 N LYS A 16 -11.814 1.980 1.116 1.00 0.00 N ATOM 223 CA LYS A 16 -12.487 0.718 0.834 1.00 0.00 C ATOM 224 C LYS A 16 -11.895 -0.416 1.663 1.00 0.00 C ATOM 225 O LYS A 16 -12.611 -1.312 2.102 1.00 0.00 O ATOM 226 CB LYS A 16 -12.392 0.391 -0.659 1.00 0.00 C ATOM 227 CG LYS A 16 -13.099 -0.897 -1.053 1.00 0.00 C ATOM 228 CD LYS A 16 -13.011 -1.146 -2.539 1.00 0.00 C ATOM 229 CE LYS A 16 -13.888 -0.175 -3.298 1.00 0.00 C ATOM 230 NZ LYS A 16 -15.309 -0.248 -2.856 1.00 0.00 N ATOM 0 H LYS A 16 -11.321 2.381 0.318 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.537 0.824 1.108 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.817 1.217 -1.230 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.341 0.318 -0.939 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.655 -1.735 -0.516 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -14.146 -0.845 -0.753 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.977 -1.044 -2.869 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.317 -2.169 -2.760 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.515 0.839 -3.155 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.828 -0.389 -4.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -15.928 0.093 -3.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -15.551 -1.233 -2.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -15.441 0.346 -2.012 1.00 0.00 H new ATOM 244 N ILE A 17 -10.585 -0.374 1.875 1.00 0.00 N ATOM 245 CA ILE A 17 -9.913 -1.402 2.659 1.00 0.00 C ATOM 246 C ILE A 17 -10.395 -1.375 4.105 1.00 0.00 C ATOM 247 O ILE A 17 -10.646 -2.420 4.706 1.00 0.00 O ATOM 248 CB ILE A 17 -8.382 -1.229 2.622 1.00 0.00 C ATOM 249 CG1 ILE A 17 -7.876 -1.358 1.184 1.00 0.00 C ATOM 250 CG2 ILE A 17 -7.709 -2.258 3.523 1.00 0.00 C ATOM 251 CD1 ILE A 17 -6.391 -1.108 1.031 1.00 0.00 C ATOM 0 H ILE A 17 -9.970 0.357 1.517 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.162 -2.365 2.214 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.130 -0.235 2.992 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -8.106 -2.358 0.817 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.420 -0.654 0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.628 -2.123 3.486 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.056 -2.127 4.548 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.961 -3.262 3.180 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.110 -1.218 -0.016 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.156 -0.098 1.366 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.837 -1.828 1.633 1.00 0.00 H new ATOM 263 N LYS A 18 -10.533 -0.171 4.655 1.00 0.00 N ATOM 264 CA LYS A 18 -10.994 0.002 6.021 1.00 0.00 C ATOM 265 C LYS A 18 -12.406 -0.540 6.187 1.00 0.00 C ATOM 266 O LYS A 18 -12.705 -1.255 7.144 1.00 0.00 O ATOM 267 CB LYS A 18 -10.967 1.483 6.391 1.00 0.00 C ATOM 268 CG LYS A 18 -9.575 2.083 6.416 1.00 0.00 C ATOM 269 CD LYS A 18 -9.590 3.537 6.861 1.00 0.00 C ATOM 270 CE LYS A 18 -10.094 3.683 8.288 1.00 0.00 C ATOM 271 NZ LYS A 18 -9.282 2.888 9.249 1.00 0.00 N ATOM 0 H LYS A 18 -10.329 0.702 4.168 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.329 -0.553 6.682 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -11.578 2.037 5.679 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.425 1.611 7.372 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.943 1.504 7.089 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.132 2.012 5.423 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.584 3.951 6.786 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.224 4.116 6.190 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.070 4.734 8.575 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.134 3.362 8.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.143 3.435 10.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.777 2.001 9.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.357 2.671 8.826 1.00 0.00 H new ATOM 285 N THR A 19 -13.269 -0.180 5.249 1.00 0.00 N ATOM 286 CA THR A 19 -14.663 -0.608 5.278 1.00 0.00 C ATOM 287 C THR A 19 -14.799 -2.093 4.961 1.00 0.00 C ATOM 288 O THR A 19 -15.726 -2.754 5.426 1.00 0.00 O ATOM 289 CB THR A 19 -15.531 0.204 4.294 1.00 0.00 C ATOM 290 OG1 THR A 19 -16.914 -0.119 4.479 1.00 0.00 O ATOM 291 CG2 THR A 19 -15.138 -0.077 2.852 1.00 0.00 C ATOM 0 H THR A 19 -13.028 0.411 4.453 1.00 0.00 H new ATOM 0 HA THR A 19 -15.019 -0.427 6.292 1.00 0.00 H new ATOM 0 HB THR A 19 -15.368 1.262 4.499 1.00 0.00 H new ATOM 0 HG1 THR A 19 -17.458 0.402 3.852 1.00 0.00 H new ATOM 0 HG21 THR A 19 -15.767 0.510 2.183 1.00 0.00 H new ATOM 0 HG22 THR A 19 -14.094 0.195 2.700 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.271 -1.138 2.639 1.00 0.00 H new ATOM 299 N ARG A 20 -13.875 -2.609 4.164 1.00 0.00 N ATOM 300 CA ARG A 20 -13.899 -4.014 3.784 1.00 0.00 C ATOM 301 C ARG A 20 -13.630 -4.916 4.983 1.00 0.00 C ATOM 302 O ARG A 20 -14.424 -5.806 5.293 1.00 0.00 O ATOM 303 CB ARG A 20 -12.865 -4.282 2.685 1.00 0.00 C ATOM 304 CG ARG A 20 -12.625 -5.760 2.418 1.00 0.00 C ATOM 305 CD ARG A 20 -13.909 -6.482 2.053 1.00 0.00 C ATOM 306 NE ARG A 20 -14.459 -6.024 0.780 1.00 0.00 N ATOM 307 CZ ARG A 20 -15.563 -6.524 0.231 1.00 0.00 C ATOM 308 NH1 ARG A 20 -16.231 -7.493 0.841 1.00 0.00 N ATOM 309 NH2 ARG A 20 -16.000 -6.055 -0.931 1.00 0.00 N ATOM 0 H ARG A 20 -13.100 -2.077 3.768 1.00 0.00 H new ATOM 0 HA ARG A 20 -14.895 -4.242 3.405 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.196 -3.804 1.763 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.921 -3.815 2.965 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.903 -5.871 1.609 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.186 -6.223 3.302 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.718 -7.554 1.999 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.646 -6.329 2.841 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.969 -5.279 0.284 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -15.899 -7.857 1.734 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -17.077 -7.874 0.417 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.489 -5.310 -1.405 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -16.847 -6.440 -1.350 1.00 0.00 H new ATOM 323 N PHE A 21 -12.502 -4.692 5.643 1.00 0.00 N ATOM 324 CA PHE A 21 -12.120 -5.497 6.795 1.00 0.00 C ATOM 325 C PHE A 21 -12.531 -4.847 8.116 1.00 0.00 C ATOM 326 O PHE A 21 -11.767 -4.865 9.081 1.00 0.00 O ATOM 327 CB PHE A 21 -10.613 -5.743 6.790 1.00 0.00 C ATOM 328 CG PHE A 21 -10.111 -6.418 5.546 1.00 0.00 C ATOM 329 CD1 PHE A 21 -9.814 -5.679 4.412 1.00 0.00 C ATOM 330 CD2 PHE A 21 -9.938 -7.792 5.511 1.00 0.00 C ATOM 331 CE1 PHE A 21 -9.351 -6.300 3.267 1.00 0.00 C ATOM 332 CE2 PHE A 21 -9.476 -8.418 4.369 1.00 0.00 C ATOM 333 CZ PHE A 21 -9.180 -7.670 3.246 1.00 0.00 C ATOM 0 H PHE A 21 -11.835 -3.959 5.400 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.650 -6.446 6.714 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.099 -4.789 6.907 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.352 -6.354 7.654 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -9.946 -4.607 4.423 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -10.167 -8.381 6.387 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.123 -5.714 2.389 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -9.347 -9.490 4.354 1.00 0.00 H new ATOM 0 HZ PHE A 21 -8.815 -8.156 2.353 1.00 0.00 H new ATOM 343 N LEU A 22 -13.738 -4.289 8.166 1.00 0.00 N ATOM 344 CA LEU A 22 -14.228 -3.662 9.391 1.00 0.00 C ATOM 345 C LEU A 22 -14.161 -4.647 10.554 1.00 0.00 C ATOM 346 O LEU A 22 -13.862 -4.269 11.687 1.00 0.00 O ATOM 347 CB LEU A 22 -15.665 -3.168 9.212 1.00 0.00 C ATOM 348 CG LEU A 22 -15.826 -1.937 8.315 1.00 0.00 C ATOM 349 CD1 LEU A 22 -17.299 -1.630 8.093 1.00 0.00 C ATOM 350 CD2 LEU A 22 -15.121 -0.737 8.928 1.00 0.00 C ATOM 0 H LEU A 22 -14.389 -4.258 7.381 1.00 0.00 H new ATOM 0 HA LEU A 22 -13.591 -2.806 9.611 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -16.262 -3.980 8.797 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -16.078 -2.938 10.194 1.00 0.00 H new ATOM 0 HG LEU A 22 -15.368 -2.151 7.349 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -17.395 -0.753 7.454 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -17.780 -2.483 7.614 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -17.778 -1.434 9.052 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -15.245 0.129 8.278 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -15.552 -0.522 9.906 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -14.059 -0.957 9.040 1.00 0.00 H new ATOM 362 N ASP A 23 -14.437 -5.913 10.258 1.00 0.00 N ATOM 363 CA ASP A 23 -14.410 -6.966 11.265 1.00 0.00 C ATOM 364 C ASP A 23 -12.975 -7.349 11.613 1.00 0.00 C ATOM 365 O ASP A 23 -12.664 -7.629 12.770 1.00 0.00 O ATOM 366 CB ASP A 23 -15.171 -8.194 10.771 1.00 0.00 C ATOM 367 CG ASP A 23 -15.136 -9.338 11.766 1.00 0.00 C ATOM 368 OD1 ASP A 23 -15.619 -9.149 12.903 1.00 0.00 O ATOM 369 OD2 ASP A 23 -14.626 -10.420 11.410 1.00 0.00 O ATOM 0 H ASP A 23 -14.683 -6.235 9.322 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.895 -6.586 12.164 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.207 -7.920 10.574 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.743 -8.526 9.825 1.00 0.00 H new ATOM 374 N HIS A 24 -12.112 -7.376 10.597 1.00 0.00 N ATOM 375 CA HIS A 24 -10.718 -7.732 10.773 1.00 0.00 C ATOM 376 C HIS A 24 -9.814 -6.495 10.685 1.00 0.00 C ATOM 377 O HIS A 24 -9.177 -6.260 9.658 1.00 0.00 O ATOM 378 CB HIS A 24 -10.325 -8.743 9.703 1.00 0.00 C ATOM 379 CG HIS A 24 -11.109 -10.017 9.755 1.00 0.00 C ATOM 380 ND1 HIS A 24 -11.108 -10.860 10.845 1.00 0.00 N ATOM 381 CD2 HIS A 24 -11.925 -10.593 8.838 1.00 0.00 C ATOM 382 CE1 HIS A 24 -11.886 -11.899 10.597 1.00 0.00 C ATOM 383 NE2 HIS A 24 -12.394 -11.760 9.387 1.00 0.00 N ATOM 0 H HIS A 24 -12.366 -7.151 9.635 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.589 -8.168 11.763 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -10.455 -8.288 8.721 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.265 -8.975 9.808 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -12.162 -10.206 7.858 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -12.074 -12.722 11.270 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -13.032 -12.414 8.933 1.00 0.00 H new ATOM 392 N PRO A 25 -9.742 -5.686 11.760 1.00 0.00 N ATOM 393 CA PRO A 25 -8.906 -4.477 11.791 1.00 0.00 C ATOM 394 C PRO A 25 -7.425 -4.785 11.587 1.00 0.00 C ATOM 395 O PRO A 25 -6.692 -3.991 10.998 1.00 0.00 O ATOM 396 CB PRO A 25 -9.144 -3.907 13.191 1.00 0.00 C ATOM 397 CG PRO A 25 -9.650 -5.056 13.991 1.00 0.00 C ATOM 398 CD PRO A 25 -10.456 -5.881 13.031 1.00 0.00 C ATOM 0 HA PRO A 25 -9.166 -3.788 10.987 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.224 -3.505 13.615 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.868 -3.092 13.168 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.828 -5.634 14.413 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.261 -4.715 14.826 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.484 -6.931 13.323 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.489 -5.539 12.972 1.00 0.00 H new ATOM 406 N GLU A 26 -6.995 -5.940 12.085 1.00 0.00 N ATOM 407 CA GLU A 26 -5.601 -6.361 11.968 1.00 0.00 C ATOM 408 C GLU A 26 -5.125 -6.325 10.517 1.00 0.00 C ATOM 409 O GLU A 26 -3.943 -6.105 10.249 1.00 0.00 O ATOM 410 CB GLU A 26 -5.420 -7.769 12.541 1.00 0.00 C ATOM 411 CG GLU A 26 -6.271 -8.822 11.850 1.00 0.00 C ATOM 412 CD GLU A 26 -6.066 -10.208 12.428 1.00 0.00 C ATOM 413 OE1 GLU A 26 -4.922 -10.707 12.385 1.00 0.00 O ATOM 414 OE2 GLU A 26 -7.050 -10.796 12.926 1.00 0.00 O ATOM 0 H GLU A 26 -7.594 -6.604 12.576 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.995 -5.659 12.540 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.371 -8.052 12.461 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.666 -7.754 13.603 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.322 -8.548 11.936 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.032 -8.837 10.787 1.00 0.00 H new ATOM 421 N ILE A 27 -6.045 -6.550 9.583 1.00 0.00 N ATOM 422 CA ILE A 27 -5.708 -6.550 8.162 1.00 0.00 C ATOM 423 C ILE A 27 -5.238 -5.170 7.711 1.00 0.00 C ATOM 424 O ILE A 27 -4.179 -5.033 7.100 1.00 0.00 O ATOM 425 CB ILE A 27 -6.917 -6.944 7.296 1.00 0.00 C ATOM 426 CG1 ILE A 27 -7.644 -8.153 7.896 1.00 0.00 C ATOM 427 CG2 ILE A 27 -6.467 -7.233 5.869 1.00 0.00 C ATOM 428 CD1 ILE A 27 -6.930 -9.472 7.710 1.00 0.00 C ATOM 0 H ILE A 27 -7.028 -6.734 9.784 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.909 -7.281 8.033 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.618 -6.110 7.275 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.789 -7.981 8.962 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.635 -8.224 7.447 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.330 -7.511 5.264 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.000 -6.343 5.447 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.748 -8.052 5.873 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.516 -10.270 8.165 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.808 -9.673 6.646 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.950 -9.425 8.185 1.00 0.00 H new ATOM 440 N TYR A 28 -6.043 -4.154 8.014 1.00 0.00 N ATOM 441 CA TYR A 28 -5.724 -2.780 7.641 1.00 0.00 C ATOM 442 C TYR A 28 -4.374 -2.365 8.208 1.00 0.00 C ATOM 443 O TYR A 28 -3.546 -1.778 7.510 1.00 0.00 O ATOM 444 CB TYR A 28 -6.812 -1.834 8.148 1.00 0.00 C ATOM 445 CG TYR A 28 -6.608 -0.393 7.743 1.00 0.00 C ATOM 446 CD1 TYR A 28 -6.666 -0.013 6.410 1.00 0.00 C ATOM 447 CD2 TYR A 28 -6.359 0.586 8.696 1.00 0.00 C ATOM 448 CE1 TYR A 28 -6.475 1.303 6.035 1.00 0.00 C ATOM 449 CE2 TYR A 28 -6.166 1.904 8.330 1.00 0.00 C ATOM 450 CZ TYR A 28 -6.223 2.257 6.999 1.00 0.00 C ATOM 451 OH TYR A 28 -6.030 3.569 6.633 1.00 0.00 O ATOM 0 H TYR A 28 -6.923 -4.258 8.518 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.675 -2.723 6.554 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.778 -2.173 7.774 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.853 -1.893 9.236 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.864 -0.758 5.653 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.316 0.313 9.740 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.523 1.583 4.993 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -5.972 2.654 9.083 1.00 0.00 H new ATOM 0 HH TYR A 28 -5.865 4.111 7.433 1.00 0.00 H new ATOM 461 N ARG A 29 -4.165 -2.673 9.481 1.00 0.00 N ATOM 462 CA ARG A 29 -2.922 -2.339 10.165 1.00 0.00 C ATOM 463 C ARG A 29 -1.708 -2.906 9.434 1.00 0.00 C ATOM 464 O ARG A 29 -0.787 -2.171 9.077 1.00 0.00 O ATOM 465 CB ARG A 29 -2.958 -2.881 11.593 1.00 0.00 C ATOM 466 CG ARG A 29 -4.030 -2.243 12.464 1.00 0.00 C ATOM 467 CD ARG A 29 -3.729 -0.781 12.777 1.00 0.00 C ATOM 468 NE ARG A 29 -2.597 -0.623 13.692 1.00 0.00 N ATOM 469 CZ ARG A 29 -1.320 -0.624 13.312 1.00 0.00 C ATOM 470 NH1 ARG A 29 -1.004 -0.690 12.027 1.00 0.00 N ATOM 471 NH2 ARG A 29 -0.357 -0.529 14.220 1.00 0.00 N ATOM 0 H ARG A 29 -4.846 -3.158 10.065 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.830 -1.253 10.180 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.124 -3.958 11.559 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.984 -2.723 12.057 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.994 -2.313 11.960 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.117 -2.801 13.396 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.518 -0.250 11.849 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.613 -0.318 13.215 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.799 -0.504 14.685 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.740 -0.740 11.323 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.025 -0.690 11.742 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.594 -0.455 15.209 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.621 -0.530 13.929 1.00 0.00 H new ATOM 485 N SER A 30 -1.713 -4.218 9.224 1.00 0.00 N ATOM 486 CA SER A 30 -0.609 -4.894 8.543 1.00 0.00 C ATOM 487 C SER A 30 -0.331 -4.263 7.181 1.00 0.00 C ATOM 488 O SER A 30 0.812 -3.935 6.864 1.00 0.00 O ATOM 489 CB SER A 30 -0.921 -6.383 8.380 1.00 0.00 C ATOM 490 OG SER A 30 -1.145 -6.999 9.635 1.00 0.00 O ATOM 0 H SER A 30 -2.469 -4.837 9.515 1.00 0.00 H new ATOM 0 HA SER A 30 0.285 -4.782 9.157 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.801 -6.506 7.749 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.093 -6.877 7.872 1.00 0.00 H new ATOM 0 HG SER A 30 -2.045 -6.777 9.952 1.00 0.00 H new ATOM 496 N PHE A 31 -1.384 -4.091 6.385 1.00 0.00 N ATOM 497 CA PHE A 31 -1.263 -3.490 5.060 1.00 0.00 C ATOM 498 C PHE A 31 -0.464 -2.193 5.124 1.00 0.00 C ATOM 499 O PHE A 31 0.447 -1.967 4.323 1.00 0.00 O ATOM 500 CB PHE A 31 -2.657 -3.215 4.494 1.00 0.00 C ATOM 501 CG PHE A 31 -2.656 -2.369 3.255 1.00 0.00 C ATOM 502 CD1 PHE A 31 -2.143 -2.857 2.065 1.00 0.00 C ATOM 503 CD2 PHE A 31 -3.180 -1.087 3.281 1.00 0.00 C ATOM 504 CE1 PHE A 31 -2.149 -2.079 0.922 1.00 0.00 C ATOM 505 CE2 PHE A 31 -3.191 -0.305 2.142 1.00 0.00 C ATOM 506 CZ PHE A 31 -2.674 -0.802 0.961 1.00 0.00 C ATOM 0 H PHE A 31 -2.335 -4.361 6.637 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.734 -4.186 4.408 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.142 -4.166 4.272 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.257 -2.721 5.258 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.734 -3.856 2.029 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.585 -0.694 4.202 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.744 -2.469 0.000 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.603 0.693 2.175 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.680 -0.193 0.069 1.00 0.00 H new ATOM 516 N LEU A 32 -0.810 -1.347 6.087 1.00 0.00 N ATOM 517 CA LEU A 32 -0.130 -0.074 6.269 1.00 0.00 C ATOM 518 C LEU A 32 1.351 -0.294 6.549 1.00 0.00 C ATOM 519 O LEU A 32 2.203 0.428 6.034 1.00 0.00 O ATOM 520 CB LEU A 32 -0.778 0.706 7.413 1.00 0.00 C ATOM 521 CG LEU A 32 -2.260 1.019 7.216 1.00 0.00 C ATOM 522 CD1 LEU A 32 -2.822 1.727 8.436 1.00 0.00 C ATOM 523 CD2 LEU A 32 -2.461 1.861 5.969 1.00 0.00 C ATOM 0 H LEU A 32 -1.560 -1.522 6.755 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.222 0.506 5.351 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.661 0.136 8.335 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.238 1.643 7.547 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.798 0.080 7.088 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.879 1.942 8.277 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.709 1.088 9.312 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.282 2.660 8.596 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.522 2.076 5.842 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.911 2.797 6.069 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.095 1.316 5.099 1.00 0.00 H new ATOM 535 N GLU A 33 1.648 -1.303 7.361 1.00 0.00 N ATOM 536 CA GLU A 33 3.027 -1.632 7.702 1.00 0.00 C ATOM 537 C GLU A 33 3.797 -2.060 6.457 1.00 0.00 C ATOM 538 O GLU A 33 4.976 -1.746 6.313 1.00 0.00 O ATOM 539 CB GLU A 33 3.063 -2.743 8.754 1.00 0.00 C ATOM 540 CG GLU A 33 4.469 -3.123 9.197 1.00 0.00 C ATOM 541 CD GLU A 33 5.186 -2.001 9.924 1.00 0.00 C ATOM 542 OE1 GLU A 33 4.574 -0.930 10.124 1.00 0.00 O ATOM 543 OE2 GLU A 33 6.362 -2.195 10.298 1.00 0.00 O ATOM 0 H GLU A 33 0.951 -1.908 7.796 1.00 0.00 H new ATOM 0 HA GLU A 33 3.502 -0.742 8.115 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.491 -2.424 9.625 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.567 -3.627 8.353 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.415 -3.995 9.849 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.053 -3.414 8.324 1.00 0.00 H new ATOM 550 N ILE A 34 3.122 -2.776 5.558 1.00 0.00 N ATOM 551 CA ILE A 34 3.749 -3.235 4.325 1.00 0.00 C ATOM 552 C ILE A 34 4.240 -2.054 3.497 1.00 0.00 C ATOM 553 O ILE A 34 5.424 -1.960 3.174 1.00 0.00 O ATOM 554 CB ILE A 34 2.781 -4.074 3.486 1.00 0.00 C ATOM 555 CG1 ILE A 34 2.352 -5.302 4.285 1.00 0.00 C ATOM 556 CG2 ILE A 34 3.433 -4.479 2.169 1.00 0.00 C ATOM 557 CD1 ILE A 34 1.341 -6.158 3.572 1.00 0.00 C ATOM 0 H ILE A 34 2.145 -3.048 5.662 1.00 0.00 H new ATOM 0 HA ILE A 34 4.598 -3.857 4.607 1.00 0.00 H new ATOM 0 HB ILE A 34 1.897 -3.481 3.251 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.232 -5.904 4.511 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.934 -4.978 5.238 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.732 -5.075 1.584 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.706 -3.585 1.608 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.328 -5.067 2.372 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.082 -7.012 4.197 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.445 -5.571 3.370 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.763 -6.512 2.631 1.00 0.00 H new ATOM 569 N LEU A 35 3.326 -1.139 3.178 1.00 0.00 N ATOM 570 CA LEU A 35 3.680 0.051 2.413 1.00 0.00 C ATOM 571 C LEU A 35 4.742 0.839 3.164 1.00 0.00 C ATOM 572 O LEU A 35 5.727 1.297 2.586 1.00 0.00 O ATOM 573 CB LEU A 35 2.453 0.936 2.189 1.00 0.00 C ATOM 574 CG LEU A 35 1.362 0.346 1.296 1.00 0.00 C ATOM 575 CD1 LEU A 35 0.095 1.180 1.393 1.00 0.00 C ATOM 576 CD2 LEU A 35 1.834 0.280 -0.149 1.00 0.00 C ATOM 0 H LEU A 35 2.341 -1.200 3.436 1.00 0.00 H new ATOM 0 HA LEU A 35 4.066 -0.262 1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.015 1.170 3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.783 1.879 1.753 1.00 0.00 H new ATOM 0 HG LEU A 35 1.146 -0.666 1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.674 0.749 0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.256 1.190 2.425 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.305 2.200 1.072 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.045 -0.143 -0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.074 1.284 -0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.722 -0.349 -0.213 1.00 0.00 H new ATOM 588 N HIS A 36 4.523 0.978 4.466 1.00 0.00 N ATOM 589 CA HIS A 36 5.439 1.697 5.335 1.00 0.00 C ATOM 590 C HIS A 36 6.849 1.128 5.221 1.00 0.00 C ATOM 591 O HIS A 36 7.824 1.873 5.151 1.00 0.00 O ATOM 592 CB HIS A 36 4.952 1.616 6.785 1.00 0.00 C ATOM 593 CG HIS A 36 4.672 2.950 7.398 1.00 0.00 C ATOM 594 ND1 HIS A 36 5.602 3.967 7.451 1.00 0.00 N ATOM 595 CD2 HIS A 36 3.555 3.433 7.990 1.00 0.00 C ATOM 596 CE1 HIS A 36 5.068 5.018 8.047 1.00 0.00 C ATOM 597 NE2 HIS A 36 3.827 4.720 8.384 1.00 0.00 N ATOM 0 H HIS A 36 3.708 0.596 4.945 1.00 0.00 H new ATOM 0 HA HIS A 36 5.466 2.741 5.024 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.046 1.011 6.822 1.00 0.00 H new ATOM 0 HB3 HIS A 36 5.703 1.101 7.384 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.623 2.905 8.127 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.563 5.961 8.228 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.176 5.344 8.860 1.00 0.00 H new ATOM 606 N THR A 37 6.942 -0.199 5.191 1.00 0.00 N ATOM 607 CA THR A 37 8.225 -0.882 5.074 1.00 0.00 C ATOM 608 C THR A 37 8.977 -0.403 3.839 1.00 0.00 C ATOM 609 O THR A 37 10.195 -0.223 3.866 1.00 0.00 O ATOM 610 CB THR A 37 8.039 -2.411 4.996 1.00 0.00 C ATOM 611 OG1 THR A 37 7.407 -2.888 6.189 1.00 0.00 O ATOM 612 CG2 THR A 37 9.373 -3.120 4.809 1.00 0.00 C ATOM 0 H THR A 37 6.138 -0.825 5.247 1.00 0.00 H new ATOM 0 HA THR A 37 8.804 -0.644 5.966 1.00 0.00 H new ATOM 0 HB THR A 37 7.409 -2.629 4.133 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.448 -2.690 6.153 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.209 -4.196 4.758 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.840 -2.780 3.885 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.027 -2.892 5.651 1.00 0.00 H new ATOM 939 N GLU A 57 8.285 -6.731 -3.615 1.00 0.00 N ATOM 940 CA GLU A 57 8.048 -7.140 -2.233 1.00 0.00 C ATOM 941 C GLU A 57 6.766 -6.525 -1.684 1.00 0.00 C ATOM 942 O GLU A 57 5.964 -7.215 -1.055 1.00 0.00 O ATOM 943 CB GLU A 57 9.239 -6.773 -1.342 1.00 0.00 C ATOM 944 CG GLU A 57 8.988 -7.036 0.137 1.00 0.00 C ATOM 945 CD GLU A 57 10.271 -7.227 0.925 1.00 0.00 C ATOM 946 OE1 GLU A 57 11.109 -6.303 0.934 1.00 0.00 O ATOM 947 OE2 GLU A 57 10.435 -8.305 1.535 1.00 0.00 O ATOM 0 HA GLU A 57 7.932 -8.224 -2.228 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.112 -7.342 -1.662 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.477 -5.718 -1.481 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.428 -6.202 0.560 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.366 -7.925 0.243 1.00 0.00 H new ATOM 954 N VAL A 58 6.572 -5.233 -1.926 1.00 0.00 N ATOM 955 CA VAL A 58 5.373 -4.549 -1.455 1.00 0.00 C ATOM 956 C VAL A 58 4.125 -5.240 -1.987 1.00 0.00 C ATOM 957 O VAL A 58 3.160 -5.461 -1.256 1.00 0.00 O ATOM 958 CB VAL A 58 5.356 -3.071 -1.891 1.00 0.00 C ATOM 959 CG1 VAL A 58 4.105 -2.378 -1.377 1.00 0.00 C ATOM 960 CG2 VAL A 58 6.606 -2.354 -1.410 1.00 0.00 C ATOM 0 H VAL A 58 7.224 -4.642 -2.442 1.00 0.00 H new ATOM 0 HA VAL A 58 5.383 -4.590 -0.366 1.00 0.00 H new ATOM 0 HB VAL A 58 5.344 -3.035 -2.980 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.110 -1.335 -1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.222 -2.875 -1.779 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.084 -2.426 -0.288 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.573 -1.312 -1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.655 -2.399 -0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.487 -2.835 -1.834 1.00 0.00 H new ATOM 970 N PHE A 59 4.162 -5.584 -3.268 1.00 0.00 N ATOM 971 CA PHE A 59 3.050 -6.260 -3.922 1.00 0.00 C ATOM 972 C PHE A 59 2.823 -7.640 -3.312 1.00 0.00 C ATOM 973 O PHE A 59 1.685 -8.084 -3.164 1.00 0.00 O ATOM 974 CB PHE A 59 3.330 -6.387 -5.422 1.00 0.00 C ATOM 975 CG PHE A 59 2.236 -7.061 -6.205 1.00 0.00 C ATOM 976 CD1 PHE A 59 0.919 -6.649 -6.086 1.00 0.00 C ATOM 977 CD2 PHE A 59 2.533 -8.103 -7.069 1.00 0.00 C ATOM 978 CE1 PHE A 59 -0.082 -7.266 -6.813 1.00 0.00 C ATOM 979 CE2 PHE A 59 1.536 -8.724 -7.797 1.00 0.00 C ATOM 980 CZ PHE A 59 0.227 -8.304 -7.669 1.00 0.00 C ATOM 0 H PHE A 59 4.958 -5.404 -3.879 1.00 0.00 H new ATOM 0 HA PHE A 59 2.147 -5.668 -3.774 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.494 -5.391 -5.834 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.256 -6.946 -5.560 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.671 -5.837 -5.418 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.556 -8.434 -7.175 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.105 -6.936 -6.711 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.780 -9.537 -8.465 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.554 -8.787 -8.238 1.00 0.00 H new ATOM 990 N THR A 60 3.917 -8.314 -2.972 1.00 0.00 N ATOM 991 CA THR A 60 3.852 -9.651 -2.391 1.00 0.00 C ATOM 992 C THR A 60 3.189 -9.648 -1.011 1.00 0.00 C ATOM 993 O THR A 60 2.228 -10.377 -0.780 1.00 0.00 O ATOM 994 CB THR A 60 5.258 -10.268 -2.269 1.00 0.00 C ATOM 995 OG1 THR A 60 5.851 -10.397 -3.566 1.00 0.00 O ATOM 996 CG2 THR A 60 5.204 -11.632 -1.596 1.00 0.00 C ATOM 0 H THR A 60 4.864 -7.954 -3.090 1.00 0.00 H new ATOM 0 HA THR A 60 3.243 -10.252 -3.067 1.00 0.00 H new ATOM 0 HB THR A 60 5.864 -9.603 -1.653 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.745 -10.788 -3.479 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.211 -12.042 -1.524 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.782 -11.528 -0.596 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.580 -12.304 -2.185 1.00 0.00 H new ATOM 1004 N GLU A 61 3.718 -8.836 -0.100 1.00 0.00 N ATOM 1005 CA GLU A 61 3.187 -8.751 1.257 1.00 0.00 C ATOM 1006 C GLU A 61 1.711 -8.366 1.258 1.00 0.00 C ATOM 1007 O GLU A 61 0.903 -8.985 1.953 1.00 0.00 O ATOM 1008 CB GLU A 61 3.995 -7.748 2.082 1.00 0.00 C ATOM 1009 CG GLU A 61 5.461 -8.124 2.237 1.00 0.00 C ATOM 1010 CD GLU A 61 5.663 -9.406 3.025 1.00 0.00 C ATOM 1011 OE1 GLU A 61 4.660 -9.977 3.503 1.00 0.00 O ATOM 1012 OE2 GLU A 61 6.827 -9.836 3.169 1.00 0.00 O ATOM 0 H GLU A 61 4.516 -8.226 -0.278 1.00 0.00 H new ATOM 0 HA GLU A 61 3.275 -9.739 1.710 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.928 -6.767 1.612 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.545 -7.659 3.071 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.908 -8.236 1.249 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.989 -7.311 2.735 1.00 0.00 H new ATOM 1019 N VAL A 62 1.356 -7.351 0.474 1.00 0.00 N ATOM 1020 CA VAL A 62 -0.032 -6.909 0.395 1.00 0.00 C ATOM 1021 C VAL A 62 -0.901 -8.015 -0.191 1.00 0.00 C ATOM 1022 O VAL A 62 -2.007 -8.265 0.286 1.00 0.00 O ATOM 1023 CB VAL A 62 -0.179 -5.640 -0.467 1.00 0.00 C ATOM 1024 CG1 VAL A 62 -1.643 -5.239 -0.585 1.00 0.00 C ATOM 1025 CG2 VAL A 62 0.644 -4.502 0.113 1.00 0.00 C ATOM 0 H VAL A 62 2.005 -6.824 -0.111 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.358 -6.675 1.409 1.00 0.00 H new ATOM 0 HB VAL A 62 0.197 -5.859 -1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.726 -4.341 -1.197 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.206 -6.049 -1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.047 -5.040 0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.527 -3.615 -0.509 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.301 -4.284 1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.695 -4.790 0.141 1.00 0.00 H new ATOM 1035 N ALA A 63 -0.383 -8.686 -1.216 1.00 0.00 N ATOM 1036 CA ALA A 63 -1.104 -9.780 -1.853 1.00 0.00 C ATOM 1037 C ALA A 63 -1.365 -10.889 -0.841 1.00 0.00 C ATOM 1038 O ALA A 63 -2.449 -11.470 -0.799 1.00 0.00 O ATOM 1039 CB ALA A 63 -0.319 -10.318 -3.040 1.00 0.00 C ATOM 0 H ALA A 63 0.532 -8.491 -1.622 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.060 -9.404 -2.218 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.873 -11.134 -3.503 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.170 -9.521 -3.769 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.650 -10.684 -2.700 1.00 0.00 H new ATOM 1045 N ASN A 64 -0.356 -11.160 -0.016 1.00 0.00 N ATOM 1046 CA ASN A 64 -0.457 -12.183 1.018 1.00 0.00 C ATOM 1047 C ASN A 64 -1.585 -11.853 1.989 1.00 0.00 C ATOM 1048 O ASN A 64 -2.384 -12.718 2.346 1.00 0.00 O ATOM 1049 CB ASN A 64 0.874 -12.311 1.764 1.00 0.00 C ATOM 1050 CG ASN A 64 1.926 -13.037 0.947 1.00 0.00 C ATOM 1051 OD1 ASN A 64 1.718 -14.171 0.519 1.00 0.00 O ATOM 1052 ND2 ASN A 64 3.068 -12.390 0.731 1.00 0.00 N ATOM 0 H ASN A 64 0.544 -10.682 -0.045 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.684 -13.138 0.543 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.240 -11.317 2.022 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.713 -12.845 2.701 1.00 0.00 H new ATOM 0 HD21 ASN A 64 3.812 -12.834 0.192 1.00 0.00 H new ATOM 0 HD22 ASN A 64 3.200 -11.450 1.104 1.00 0.00 H new ATOM 1059 N LEU A 65 -1.652 -10.590 2.397 1.00 0.00 N ATOM 1060 CA LEU A 65 -2.691 -10.128 3.308 1.00 0.00 C ATOM 1061 C LEU A 65 -4.062 -10.270 2.671 1.00 0.00 C ATOM 1062 O LEU A 65 -4.930 -10.986 3.172 1.00 0.00 O ATOM 1063 CB LEU A 65 -2.462 -8.663 3.641 1.00 0.00 C ATOM 1064 CG LEU A 65 -1.966 -8.370 5.050 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -1.662 -6.894 5.172 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -2.999 -8.794 6.084 1.00 0.00 C ATOM 0 H LEU A 65 -0.995 -9.865 2.109 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.648 -10.734 4.213 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.741 -8.258 2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.397 -8.125 3.487 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.057 -8.942 5.237 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.306 -6.678 6.179 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.894 -6.620 4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.567 -6.319 4.976 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.624 -8.576 7.084 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.927 -8.247 5.917 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.187 -9.864 5.993 1.00 0.00 H new ATOM 1078 N PHE A 66 -4.239 -9.560 1.565 1.00 0.00 N ATOM 1079 CA PHE A 66 -5.494 -9.566 0.823 1.00 0.00 C ATOM 1080 C PHE A 66 -5.694 -10.883 0.071 1.00 0.00 C ATOM 1081 O PHE A 66 -6.223 -10.890 -1.041 1.00 0.00 O ATOM 1082 CB PHE A 66 -5.514 -8.403 -0.176 1.00 0.00 C ATOM 1083 CG PHE A 66 -5.496 -7.028 0.444 1.00 0.00 C ATOM 1084 CD1 PHE A 66 -5.340 -6.853 1.813 1.00 0.00 C ATOM 1085 CD2 PHE A 66 -5.626 -5.905 -0.357 1.00 0.00 C ATOM 1086 CE1 PHE A 66 -5.318 -5.587 2.366 1.00 0.00 C ATOM 1087 CE2 PHE A 66 -5.605 -4.636 0.192 1.00 0.00 C ATOM 1088 CZ PHE A 66 -5.451 -4.478 1.555 1.00 0.00 C ATOM 0 H PHE A 66 -3.519 -8.964 1.157 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.306 -9.455 1.541 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.653 -8.498 -0.838 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.405 -8.493 -0.797 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.235 -7.717 2.453 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.745 -6.022 -1.424 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.197 -5.465 3.432 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.709 -3.770 -0.444 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.435 -3.488 1.986 1.00 0.00 H new ATOM 1098 N ARG A 67 -5.279 -11.994 0.676 1.00 0.00 N ATOM 1099 CA ARG A 67 -5.435 -13.298 0.044 1.00 0.00 C ATOM 1100 C ARG A 67 -6.911 -13.563 -0.220 1.00 0.00 C ATOM 1101 O ARG A 67 -7.745 -13.400 0.670 1.00 0.00 O ATOM 1102 CB ARG A 67 -4.850 -14.400 0.932 1.00 0.00 C ATOM 1103 CG ARG A 67 -4.739 -15.749 0.237 1.00 0.00 C ATOM 1104 CD ARG A 67 -3.738 -15.704 -0.908 1.00 0.00 C ATOM 1105 NE ARG A 67 -3.616 -16.992 -1.587 1.00 0.00 N ATOM 1106 CZ ARG A 67 -4.600 -17.564 -2.277 1.00 0.00 C ATOM 1107 NH1 ARG A 67 -5.774 -16.959 -2.393 1.00 0.00 N ATOM 1108 NH2 ARG A 67 -4.406 -18.741 -2.857 1.00 0.00 N ATOM 0 H ARG A 67 -4.836 -12.016 1.595 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.894 -13.299 -0.902 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.861 -14.094 1.272 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.473 -14.508 1.820 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.435 -16.507 0.958 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.716 -16.045 -0.144 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.045 -14.944 -1.627 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.763 -15.404 -0.524 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.723 -17.482 -1.529 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -5.926 -16.052 -1.953 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -6.525 -17.401 -2.923 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.503 -19.208 -2.774 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.160 -19.179 -3.386 1.00 0.00 H new ATOM 1122 N GLY A 68 -7.234 -13.945 -1.449 1.00 0.00 N ATOM 1123 CA GLY A 68 -8.620 -14.192 -1.800 1.00 0.00 C ATOM 1124 C GLY A 68 -9.363 -12.898 -2.083 1.00 0.00 C ATOM 1125 O GLY A 68 -10.217 -12.843 -2.969 1.00 0.00 O ATOM 0 H GLY A 68 -6.565 -14.088 -2.206 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.665 -14.837 -2.677 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.113 -14.725 -0.987 1.00 0.00 H new ATOM 1129 N GLN A 69 -9.022 -11.852 -1.329 1.00 0.00 N ATOM 1130 CA GLN A 69 -9.638 -10.540 -1.495 1.00 0.00 C ATOM 1131 C GLN A 69 -9.033 -9.822 -2.704 1.00 0.00 C ATOM 1132 O GLN A 69 -8.731 -8.629 -2.644 1.00 0.00 O ATOM 1133 CB GLN A 69 -9.416 -9.698 -0.233 1.00 0.00 C ATOM 1134 CG GLN A 69 -9.709 -10.442 1.062 1.00 0.00 C ATOM 1135 CD GLN A 69 -11.186 -10.708 1.272 1.00 0.00 C ATOM 1136 OE1 GLN A 69 -11.850 -11.311 0.430 1.00 0.00 O ATOM 1137 NE2 GLN A 69 -11.706 -10.267 2.413 1.00 0.00 N ATOM 0 H GLN A 69 -8.317 -11.892 -0.593 1.00 0.00 H new ATOM 0 HA GLN A 69 -10.708 -10.672 -1.658 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -8.383 -9.351 -0.216 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.049 -8.812 -0.283 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -9.172 -11.390 1.059 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -9.327 -9.862 1.902 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -11.118 -9.771 3.083 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -12.693 -10.424 2.618 1.00 0.00 H new ATOM 1146 N GLU A 70 -8.837 -10.568 -3.789 1.00 0.00 N ATOM 1147 CA GLU A 70 -8.249 -10.050 -5.003 1.00 0.00 C ATOM 1148 C GLU A 70 -8.974 -8.809 -5.526 1.00 0.00 C ATOM 1149 O GLU A 70 -8.473 -8.129 -6.421 1.00 0.00 O ATOM 1150 CB GLU A 70 -8.265 -11.144 -6.059 1.00 0.00 C ATOM 1151 CG GLU A 70 -7.047 -11.117 -6.942 1.00 0.00 C ATOM 1152 CD GLU A 70 -7.153 -12.060 -8.124 1.00 0.00 C ATOM 1153 OE1 GLU A 70 -7.298 -13.280 -7.901 1.00 0.00 O ATOM 1154 OE2 GLU A 70 -7.091 -11.578 -9.276 1.00 0.00 O ATOM 0 H GLU A 70 -9.087 -11.556 -3.842 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.227 -9.744 -4.778 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.332 -12.115 -5.569 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.158 -11.036 -6.675 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.892 -10.102 -7.307 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.170 -11.381 -6.351 1.00 0.00 H new ATOM 1161 N ASP A 71 -10.148 -8.514 -4.973 1.00 0.00 N ATOM 1162 CA ASP A 71 -10.913 -7.351 -5.409 1.00 0.00 C ATOM 1163 C ASP A 71 -10.108 -6.078 -5.176 1.00 0.00 C ATOM 1164 O ASP A 71 -9.957 -5.252 -6.077 1.00 0.00 O ATOM 1165 CB ASP A 71 -12.248 -7.279 -4.665 1.00 0.00 C ATOM 1166 CG ASP A 71 -12.073 -7.167 -3.162 1.00 0.00 C ATOM 1167 OD1 ASP A 71 -11.473 -8.084 -2.564 1.00 0.00 O ATOM 1168 OD2 ASP A 71 -12.536 -6.160 -2.585 1.00 0.00 O ATOM 0 H ASP A 71 -10.586 -9.058 -4.230 1.00 0.00 H new ATOM 0 HA ASP A 71 -11.118 -7.448 -6.475 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.815 -6.421 -5.026 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.835 -8.168 -4.893 1.00 0.00 H new ATOM 1173 N LEU A 72 -9.576 -5.939 -3.969 1.00 0.00 N ATOM 1174 CA LEU A 72 -8.762 -4.784 -3.615 1.00 0.00 C ATOM 1175 C LEU A 72 -7.406 -4.871 -4.301 1.00 0.00 C ATOM 1176 O LEU A 72 -6.819 -3.858 -4.688 1.00 0.00 O ATOM 1177 CB LEU A 72 -8.571 -4.718 -2.100 1.00 0.00 C ATOM 1178 CG LEU A 72 -9.862 -4.628 -1.287 1.00 0.00 C ATOM 1179 CD1 LEU A 72 -9.560 -4.690 0.201 1.00 0.00 C ATOM 1180 CD2 LEU A 72 -10.612 -3.349 -1.622 1.00 0.00 C ATOM 0 H LEU A 72 -9.695 -6.616 -3.215 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.274 -3.881 -3.948 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.019 -5.602 -1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.951 -3.853 -1.865 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.493 -5.478 -1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.491 -4.625 0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.061 -5.631 0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.911 -3.859 0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.529 -3.300 -1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.985 -2.488 -1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.860 -3.340 -2.683 1.00 0.00 H new ATOM 1192 N LEU A 73 -6.922 -6.101 -4.442 1.00 0.00 N ATOM 1193 CA LEU A 73 -5.645 -6.376 -5.063 1.00 0.00 C ATOM 1194 C LEU A 73 -5.544 -5.709 -6.427 1.00 0.00 C ATOM 1195 O LEU A 73 -4.509 -5.147 -6.783 1.00 0.00 O ATOM 1196 CB LEU A 73 -5.505 -7.883 -5.217 1.00 0.00 C ATOM 1197 CG LEU A 73 -4.178 -8.483 -4.747 1.00 0.00 C ATOM 1198 CD1 LEU A 73 -2.998 -7.642 -5.207 1.00 0.00 C ATOM 1199 CD2 LEU A 73 -4.177 -8.626 -3.238 1.00 0.00 C ATOM 0 H LEU A 73 -7.414 -6.936 -4.124 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.847 -5.977 -4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.314 -8.362 -4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.644 -8.136 -6.268 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.073 -9.471 -5.195 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.070 -8.095 -4.857 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.989 -7.592 -6.296 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.087 -6.635 -4.798 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.228 -9.054 -2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.309 -7.646 -2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.993 -9.281 -2.934 1.00 0.00 H new ATOM 1211 N SER A 74 -6.630 -5.786 -7.186 1.00 0.00 N ATOM 1212 CA SER A 74 -6.685 -5.202 -8.518 1.00 0.00 C ATOM 1213 C SER A 74 -6.371 -3.710 -8.481 1.00 0.00 C ATOM 1214 O SER A 74 -5.664 -3.193 -9.347 1.00 0.00 O ATOM 1215 CB SER A 74 -8.069 -5.426 -9.123 1.00 0.00 C ATOM 1216 OG SER A 74 -8.139 -4.921 -10.445 1.00 0.00 O ATOM 0 H SER A 74 -7.491 -6.251 -6.898 1.00 0.00 H new ATOM 0 HA SER A 74 -5.932 -5.691 -9.136 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.299 -6.491 -9.125 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.822 -4.938 -8.504 1.00 0.00 H new ATOM 0 HG SER A 74 -9.035 -5.079 -10.809 1.00 0.00 H new ATOM 1222 N GLU A 75 -6.903 -3.022 -7.476 1.00 0.00 N ATOM 1223 CA GLU A 75 -6.682 -1.589 -7.333 1.00 0.00 C ATOM 1224 C GLU A 75 -5.225 -1.291 -6.989 1.00 0.00 C ATOM 1225 O GLU A 75 -4.605 -0.415 -7.587 1.00 0.00 O ATOM 1226 CB GLU A 75 -7.617 -1.015 -6.266 1.00 0.00 C ATOM 1227 CG GLU A 75 -9.091 -1.195 -6.603 1.00 0.00 C ATOM 1228 CD GLU A 75 -10.013 -0.522 -5.604 1.00 0.00 C ATOM 1229 OE1 GLU A 75 -9.506 0.138 -4.674 1.00 0.00 O ATOM 1230 OE2 GLU A 75 -11.245 -0.651 -5.756 1.00 0.00 O ATOM 0 H GLU A 75 -7.489 -3.434 -6.750 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.904 -1.111 -8.287 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.408 -1.497 -5.311 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.406 0.047 -6.140 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.283 -0.790 -7.597 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.322 -2.260 -6.642 1.00 0.00 H new ATOM 1237 N PHE A 76 -4.680 -2.028 -6.030 1.00 0.00 N ATOM 1238 CA PHE A 76 -3.291 -1.846 -5.622 1.00 0.00 C ATOM 1239 C PHE A 76 -2.348 -2.050 -6.804 1.00 0.00 C ATOM 1240 O PHE A 76 -1.369 -1.321 -6.973 1.00 0.00 O ATOM 1241 CB PHE A 76 -2.938 -2.832 -4.507 1.00 0.00 C ATOM 1242 CG PHE A 76 -1.533 -2.697 -3.989 1.00 0.00 C ATOM 1243 CD1 PHE A 76 -1.001 -1.453 -3.690 1.00 0.00 C ATOM 1244 CD2 PHE A 76 -0.745 -3.821 -3.799 1.00 0.00 C ATOM 1245 CE1 PHE A 76 0.290 -1.333 -3.211 1.00 0.00 C ATOM 1246 CE2 PHE A 76 0.546 -3.707 -3.321 1.00 0.00 C ATOM 1247 CZ PHE A 76 1.064 -2.461 -3.027 1.00 0.00 C ATOM 0 H PHE A 76 -5.178 -2.758 -5.520 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.175 -0.826 -5.255 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.634 -2.692 -3.680 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.082 -3.848 -4.876 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.602 -0.567 -3.833 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.145 -4.798 -4.027 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.693 -0.358 -2.981 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.149 -4.591 -3.177 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.073 -2.369 -2.654 1.00 0.00 H new ATOM 1257 N GLY A 77 -2.649 -3.064 -7.604 1.00 0.00 N ATOM 1258 CA GLY A 77 -1.830 -3.392 -8.756 1.00 0.00 C ATOM 1259 C GLY A 77 -1.740 -2.281 -9.789 1.00 0.00 C ATOM 1260 O GLY A 77 -0.663 -2.026 -10.328 1.00 0.00 O ATOM 0 H GLY A 77 -3.457 -3.673 -7.473 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.825 -3.639 -8.415 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.233 -4.285 -9.233 1.00 0.00 H new ATOM 1423 N ILE B 2 3.053 5.048 -4.094 1.00 0.00 N ATOM 1424 CA ILE B 2 2.983 4.438 -2.772 1.00 0.00 C ATOM 1425 C ILE B 2 2.848 5.498 -1.681 1.00 0.00 C ATOM 1426 O ILE B 2 2.101 5.316 -0.719 1.00 0.00 O ATOM 1427 CB ILE B 2 4.222 3.564 -2.487 1.00 0.00 C ATOM 1428 CG1 ILE B 2 4.371 2.485 -3.565 1.00 0.00 C ATOM 1429 CG2 ILE B 2 4.123 2.933 -1.105 1.00 0.00 C ATOM 1430 CD1 ILE B 2 3.162 1.582 -3.702 1.00 0.00 C ATOM 0 HA ILE B 2 2.097 3.803 -2.763 1.00 0.00 H new ATOM 0 HB ILE B 2 5.108 4.198 -2.510 1.00 0.00 H new ATOM 0 HG12 ILE B 2 4.562 2.967 -4.524 1.00 0.00 H new ATOM 0 HG13 ILE B 2 5.244 1.874 -3.335 1.00 0.00 H new ATOM 0 HG21 ILE B 2 5.005 2.320 -0.921 1.00 0.00 H new ATOM 0 HG22 ILE B 2 4.062 3.717 -0.350 1.00 0.00 H new ATOM 0 HG23 ILE B 2 3.231 2.309 -1.053 1.00 0.00 H new ATOM 0 HD11 ILE B 2 3.345 0.845 -4.484 1.00 0.00 H new ATOM 0 HD12 ILE B 2 2.981 1.070 -2.757 1.00 0.00 H new ATOM 0 HD13 ILE B 2 2.289 2.180 -3.963 1.00 0.00 H new ATOM 1442 N GLN B 3 3.567 6.607 -1.840 1.00 0.00 N ATOM 1443 CA GLN B 3 3.518 7.695 -0.874 1.00 0.00 C ATOM 1444 C GLN B 3 2.085 8.180 -0.723 1.00 0.00 C ATOM 1445 O GLN B 3 1.664 8.580 0.361 1.00 0.00 O ATOM 1446 CB GLN B 3 4.437 8.841 -1.315 1.00 0.00 C ATOM 1447 CG GLN B 3 4.562 9.965 -0.294 1.00 0.00 C ATOM 1448 CD GLN B 3 3.396 10.941 -0.314 1.00 0.00 C ATOM 1449 OE1 GLN B 3 3.271 11.788 0.570 1.00 0.00 O ATOM 1450 NE2 GLN B 3 2.547 10.846 -1.333 1.00 0.00 N ATOM 0 H GLN B 3 4.190 6.773 -2.630 1.00 0.00 H new ATOM 0 HA GLN B 3 3.869 7.333 0.092 1.00 0.00 H new ATOM 0 HB2 GLN B 3 5.429 8.439 -1.520 1.00 0.00 H new ATOM 0 HB3 GLN B 3 4.061 9.255 -2.251 1.00 0.00 H new ATOM 0 HG2 GLN B 3 4.644 9.531 0.703 1.00 0.00 H new ATOM 0 HG3 GLN B 3 5.486 10.512 -0.481 1.00 0.00 H new ATOM 0 HE21 GLN B 3 2.685 10.130 -2.046 1.00 0.00 H new ATOM 0 HE22 GLN B 3 1.758 11.489 -1.401 1.00 0.00 H new ATOM 1459 N MET B 4 1.339 8.129 -1.822 1.00 0.00 N ATOM 1460 CA MET B 4 -0.053 8.549 -1.821 1.00 0.00 C ATOM 1461 C MET B 4 -0.856 7.725 -0.822 1.00 0.00 C ATOM 1462 O MET B 4 -1.723 8.254 -0.130 1.00 0.00 O ATOM 1463 CB MET B 4 -0.657 8.411 -3.220 1.00 0.00 C ATOM 1464 CG MET B 4 0.005 9.299 -4.261 1.00 0.00 C ATOM 1465 SD MET B 4 -0.152 11.054 -3.877 1.00 0.00 S ATOM 1466 CE MET B 4 0.688 11.786 -5.279 1.00 0.00 C ATOM 0 H MET B 4 1.679 7.800 -2.726 1.00 0.00 H new ATOM 0 HA MET B 4 -0.094 9.597 -1.525 1.00 0.00 H new ATOM 0 HB2 MET B 4 -0.579 7.372 -3.539 1.00 0.00 H new ATOM 0 HB3 MET B 4 -1.719 8.651 -3.173 1.00 0.00 H new ATOM 0 HG2 MET B 4 1.061 9.040 -4.335 1.00 0.00 H new ATOM 0 HG3 MET B 4 -0.440 9.103 -5.236 1.00 0.00 H new ATOM 0 HE1 MET B 4 0.674 12.872 -5.185 1.00 0.00 H new ATOM 0 HE2 MET B 4 1.720 11.437 -5.307 1.00 0.00 H new ATOM 0 HE3 MET B 4 0.181 11.495 -6.199 1.00 0.00 H new ATOM 1476 N LEU B 5 -0.564 6.426 -0.748 1.00 0.00 N ATOM 1477 CA LEU B 5 -1.267 5.541 0.175 1.00 0.00 C ATOM 1478 C LEU B 5 -0.847 5.807 1.619 1.00 0.00 C ATOM 1479 O LEU B 5 -1.700 5.923 2.499 1.00 0.00 O ATOM 1480 CB LEU B 5 -1.055 4.070 -0.196 1.00 0.00 C ATOM 1481 CG LEU B 5 -1.610 3.664 -1.569 1.00 0.00 C ATOM 1482 CD1 LEU B 5 -1.571 2.155 -1.740 1.00 0.00 C ATOM 1483 CD2 LEU B 5 -3.031 4.181 -1.755 1.00 0.00 C ATOM 0 H LEU B 5 0.150 5.967 -1.313 1.00 0.00 H new ATOM 0 HA LEU B 5 -2.332 5.755 0.091 1.00 0.00 H new ATOM 0 HB2 LEU B 5 0.013 3.855 -0.174 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -1.521 3.447 0.567 1.00 0.00 H new ATOM 0 HG LEU B 5 -0.978 4.116 -2.333 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -1.969 1.889 -2.719 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -0.541 1.806 -1.660 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.175 1.685 -0.964 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -3.402 3.881 -2.735 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -3.674 3.764 -0.980 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -3.035 5.269 -1.683 1.00 0.00 H new ATOM 1495 N LEU B 6 0.460 5.934 1.865 1.00 0.00 N ATOM 1496 CA LEU B 6 0.942 6.223 3.215 1.00 0.00 C ATOM 1497 C LEU B 6 0.295 7.505 3.715 1.00 0.00 C ATOM 1498 O LEU B 6 -0.134 7.602 4.865 1.00 0.00 O ATOM 1499 CB LEU B 6 2.470 6.387 3.254 1.00 0.00 C ATOM 1500 CG LEU B 6 3.297 5.097 3.318 1.00 0.00 C ATOM 1501 CD1 LEU B 6 2.794 4.180 4.422 1.00 0.00 C ATOM 1502 CD2 LEU B 6 3.302 4.384 1.977 1.00 0.00 C ATOM 0 H LEU B 6 1.191 5.843 1.159 1.00 0.00 H new ATOM 0 HA LEU B 6 0.674 5.380 3.852 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.776 6.944 2.368 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.725 6.999 4.119 1.00 0.00 H new ATOM 0 HG LEU B 6 4.325 5.371 3.554 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.398 3.273 4.445 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.870 4.691 5.382 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.753 3.918 4.231 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.896 3.473 2.052 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.280 4.129 1.697 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.734 5.038 1.219 1.00 0.00 H new ATOM 1514 N GLU B 7 0.234 8.484 2.824 1.00 0.00 N ATOM 1515 CA GLU B 7 -0.352 9.781 3.121 1.00 0.00 C ATOM 1516 C GLU B 7 -1.871 9.682 3.256 1.00 0.00 C ATOM 1517 O GLU B 7 -2.479 10.361 4.084 1.00 0.00 O ATOM 1518 CB GLU B 7 0.016 10.771 2.013 1.00 0.00 C ATOM 1519 CG GLU B 7 -0.528 12.174 2.240 1.00 0.00 C ATOM 1520 CD GLU B 7 -0.140 13.137 1.135 1.00 0.00 C ATOM 1521 OE1 GLU B 7 -0.510 12.882 -0.031 1.00 0.00 O ATOM 1522 OE2 GLU B 7 0.532 14.146 1.435 1.00 0.00 O ATOM 0 H GLU B 7 0.591 8.400 1.872 1.00 0.00 H new ATOM 0 HA GLU B 7 0.045 10.133 4.073 1.00 0.00 H new ATOM 0 HB2 GLU B 7 1.102 10.821 1.929 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -0.360 10.394 1.062 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -1.615 12.131 2.314 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -0.159 12.553 3.193 1.00 0.00 H new ATOM 1529 N ALA B 8 -2.476 8.839 2.424 1.00 0.00 N ATOM 1530 CA ALA B 8 -3.926 8.648 2.427 1.00 0.00 C ATOM 1531 C ALA B 8 -4.426 8.085 3.753 1.00 0.00 C ATOM 1532 O ALA B 8 -5.408 8.575 4.312 1.00 0.00 O ATOM 1533 CB ALA B 8 -4.330 7.729 1.285 1.00 0.00 C ATOM 0 H ALA B 8 -1.982 8.273 1.734 1.00 0.00 H new ATOM 0 HA ALA B 8 -4.388 9.626 2.292 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -5.411 7.591 1.294 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -4.028 8.173 0.336 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -3.840 6.763 1.405 1.00 0.00 H new ATOM 1539 N ALA B 9 -3.756 7.049 4.245 1.00 0.00 N ATOM 1540 CA ALA B 9 -4.144 6.412 5.499 1.00 0.00 C ATOM 1541 C ALA B 9 -4.192 7.421 6.642 1.00 0.00 C ATOM 1542 O ALA B 9 -5.118 7.411 7.452 1.00 0.00 O ATOM 1543 CB ALA B 9 -3.183 5.281 5.830 1.00 0.00 C ATOM 0 H ALA B 9 -2.941 6.632 3.795 1.00 0.00 H new ATOM 0 HA ALA B 9 -5.146 6.002 5.375 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -3.482 4.812 6.768 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -3.204 4.540 5.031 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -2.173 5.679 5.929 1.00 0.00 H new ATOM 1549 N ASP B 10 -3.189 8.290 6.701 1.00 0.00 N ATOM 1550 CA ASP B 10 -3.117 9.308 7.743 1.00 0.00 C ATOM 1551 C ASP B 10 -4.317 10.250 7.662 1.00 0.00 C ATOM 1552 O ASP B 10 -4.861 10.668 8.684 1.00 0.00 O ATOM 1553 CB ASP B 10 -1.813 10.101 7.616 1.00 0.00 C ATOM 1554 CG ASP B 10 -1.635 11.119 8.726 1.00 0.00 C ATOM 1555 OD1 ASP B 10 -2.464 12.049 8.822 1.00 0.00 O ATOM 1556 OD2 ASP B 10 -0.664 10.988 9.501 1.00 0.00 O ATOM 0 H ASP B 10 -2.414 8.310 6.039 1.00 0.00 H new ATOM 0 HA ASP B 10 -3.136 8.810 8.713 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.970 9.410 7.624 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -1.796 10.613 6.654 1.00 0.00 H new ATOM 1561 N TYR B 11 -4.717 10.582 6.438 1.00 0.00 N ATOM 1562 CA TYR B 11 -5.847 11.478 6.210 1.00 0.00 C ATOM 1563 C TYR B 11 -7.149 10.899 6.762 1.00 0.00 C ATOM 1564 O TYR B 11 -7.840 11.546 7.549 1.00 0.00 O ATOM 1565 CB TYR B 11 -6.002 11.748 4.712 1.00 0.00 C ATOM 1566 CG TYR B 11 -7.241 12.543 4.361 1.00 0.00 C ATOM 1567 CD1 TYR B 11 -7.461 13.807 4.893 1.00 0.00 C ATOM 1568 CD2 TYR B 11 -8.191 12.023 3.490 1.00 0.00 C ATOM 1569 CE1 TYR B 11 -8.592 14.531 4.569 1.00 0.00 C ATOM 1570 CE2 TYR B 11 -9.324 12.741 3.160 1.00 0.00 C ATOM 1571 CZ TYR B 11 -9.520 13.994 3.701 1.00 0.00 C ATOM 1572 OH TYR B 11 -10.649 14.712 3.374 1.00 0.00 O ATOM 0 H TYR B 11 -4.273 10.242 5.585 1.00 0.00 H new ATOM 0 HA TYR B 11 -5.642 12.410 6.737 1.00 0.00 H new ATOM 0 HB2 TYR B 11 -5.123 12.286 4.356 1.00 0.00 H new ATOM 0 HB3 TYR B 11 -6.030 10.796 4.181 1.00 0.00 H new ATOM 0 HD1 TYR B 11 -6.736 14.231 5.571 1.00 0.00 H new ATOM 0 HD2 TYR B 11 -8.041 11.042 3.064 1.00 0.00 H new ATOM 0 HE1 TYR B 11 -8.749 15.512 4.993 1.00 0.00 H new ATOM 0 HE2 TYR B 11 -10.053 12.323 2.481 1.00 0.00 H new ATOM 0 HH TYR B 11 -11.198 14.192 2.751 1.00 0.00 H new ATOM 1582 N LEU B 12 -7.485 9.687 6.332 1.00 0.00 N ATOM 1583 CA LEU B 12 -8.713 9.031 6.773 1.00 0.00 C ATOM 1584 C LEU B 12 -8.710 8.786 8.278 1.00 0.00 C ATOM 1585 O LEU B 12 -9.658 9.145 8.976 1.00 0.00 O ATOM 1586 CB LEU B 12 -8.904 7.709 6.028 1.00 0.00 C ATOM 1587 CG LEU B 12 -9.161 7.841 4.526 1.00 0.00 C ATOM 1588 CD1 LEU B 12 -9.212 6.469 3.871 1.00 0.00 C ATOM 1589 CD2 LEU B 12 -10.455 8.604 4.274 1.00 0.00 C ATOM 0 H LEU B 12 -6.925 9.139 5.679 1.00 0.00 H new ATOM 0 HA LEU B 12 -9.544 9.698 6.544 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -8.016 7.095 6.176 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -9.740 7.174 6.478 1.00 0.00 H new ATOM 0 HG LEU B 12 -8.338 8.402 4.082 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -9.396 6.582 2.803 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -8.262 5.957 4.024 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -10.015 5.883 4.317 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -10.624 8.690 3.201 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -11.288 8.069 4.731 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -10.381 9.600 4.710 1.00 0.00 H new ATOM 1601 N GLU B 13 -7.641 8.173 8.774 1.00 0.00 N ATOM 1602 CA GLU B 13 -7.521 7.881 10.197 1.00 0.00 C ATOM 1603 C GLU B 13 -7.441 9.168 11.012 1.00 0.00 C ATOM 1604 O GLU B 13 -8.187 9.284 12.007 1.00 0.00 O ATOM 1605 CB GLU B 13 -6.288 7.014 10.460 1.00 0.00 C ATOM 1606 CG GLU B 13 -6.119 6.619 11.919 1.00 0.00 C ATOM 1607 CD GLU B 13 -4.902 5.745 12.149 1.00 0.00 C ATOM 1608 OE1 GLU B 13 -4.834 4.652 11.549 1.00 0.00 O ATOM 1609 OE2 GLU B 13 -4.017 6.153 12.930 1.00 0.00 O ATOM 1610 OXT GLU B 13 -6.634 10.049 10.649 1.00 0.00 O ATOM 0 H GLU B 13 -6.846 7.869 8.212 1.00 0.00 H new ATOM 0 HA GLU B 13 -8.411 7.333 10.507 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -6.354 6.111 9.853 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -5.399 7.553 10.133 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -6.036 7.519 12.528 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -7.011 6.089 12.254 1.00 0.00 H new