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 Set 1.1: A 18 LYS NZ :NH3+ -131:sc= 1.94 (180deg=-0.583) USER MOD Set 1.2: A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 35:sc= -2.01! USER MOD Single : A 15 ASN : amide:sc= -0.423 K(o=-0.42,f=-2.3!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 30 SER OG : rot 75:sc= 1.07 USER MOD Single : A 36 HIS : no HD1:sc= -0.322 X(o=-0.32,f=-0.15) USER MOD Single : A 37 THR OG1 : rot 68:sc= 1.25 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -1.87 K(o=-1.9,f=-0.15) USER MOD Single : A 69 GLN : amide:sc= -1.44 K(o=-1.4,f=-2.1) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : B 3 GLN : amide:sc= -1.7 K(o=-1.7,f=-0.77) USER MOD Single : B 4 MET CE :methyl 157:sc= -0.154 (180deg=-0.754) USER MOD Single : B 11 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 131 N ALA A 10 -6.792 7.446 -4.500 1.00 0.00 N ATOM 132 CA ALA A 10 -5.988 6.636 -3.595 1.00 0.00 C ATOM 133 C ALA A 10 -6.671 6.499 -2.238 1.00 0.00 C ATOM 134 O ALA A 10 -6.695 5.416 -1.650 1.00 0.00 O ATOM 135 CB ALA A 10 -4.604 7.251 -3.435 1.00 0.00 C ATOM 0 HA ALA A 10 -5.884 5.639 -4.023 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.010 6.639 -2.757 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.112 7.298 -4.407 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.698 8.257 -3.027 1.00 0.00 H new ATOM 141 N ILE A 11 -7.221 7.608 -1.746 1.00 0.00 N ATOM 142 CA ILE A 11 -7.901 7.615 -0.456 1.00 0.00 C ATOM 143 C ILE A 11 -8.940 6.509 -0.379 1.00 0.00 C ATOM 144 O ILE A 11 -8.930 5.702 0.546 1.00 0.00 O ATOM 145 CB ILE A 11 -8.619 8.954 -0.194 1.00 0.00 C ATOM 146 CG1 ILE A 11 -7.646 10.133 -0.280 1.00 0.00 C ATOM 147 CG2 ILE A 11 -9.306 8.920 1.162 1.00 0.00 C ATOM 148 CD1 ILE A 11 -6.518 10.084 0.726 1.00 0.00 C ATOM 0 H ILE A 11 -7.208 8.510 -2.221 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.127 7.461 0.296 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.374 9.094 -0.968 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.221 10.166 -1.283 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.203 11.059 -0.139 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.810 9.870 1.338 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.038 8.112 1.179 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.563 8.753 1.942 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.876 10.955 0.596 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.930 10.084 1.735 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.933 9.177 0.573 1.00 0.00 H new ATOM 160 N SER A 12 -9.841 6.493 -1.355 1.00 0.00 N ATOM 161 CA SER A 12 -10.907 5.502 -1.404 1.00 0.00 C ATOM 162 C SER A 12 -10.365 4.087 -1.258 1.00 0.00 C ATOM 163 O SER A 12 -11.026 3.226 -0.680 1.00 0.00 O ATOM 164 CB SER A 12 -11.695 5.631 -2.708 1.00 0.00 C ATOM 165 OG SER A 12 -10.862 5.403 -3.831 1.00 0.00 O ATOM 0 H SER A 12 -9.853 7.160 -2.127 1.00 0.00 H new ATOM 0 HA SER A 12 -11.573 5.694 -0.563 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.519 4.917 -2.711 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.135 6.626 -2.774 1.00 0.00 H new ATOM 0 HG SER A 12 -11.389 5.489 -4.652 1.00 0.00 H new ATOM 171 N TYR A 13 -9.165 3.839 -1.777 1.00 0.00 N ATOM 172 CA TYR A 13 -8.573 2.514 -1.673 1.00 0.00 C ATOM 173 C TYR A 13 -8.338 2.170 -0.210 1.00 0.00 C ATOM 174 O TYR A 13 -8.710 1.095 0.256 1.00 0.00 O ATOM 175 CB TYR A 13 -7.251 2.439 -2.438 1.00 0.00 C ATOM 176 CG TYR A 13 -6.675 1.040 -2.501 1.00 0.00 C ATOM 177 CD1 TYR A 13 -7.421 -0.018 -3.007 1.00 0.00 C ATOM 178 CD2 TYR A 13 -5.390 0.775 -2.048 1.00 0.00 C ATOM 179 CE1 TYR A 13 -6.902 -1.297 -3.059 1.00 0.00 C ATOM 180 CE2 TYR A 13 -4.863 -0.502 -2.098 1.00 0.00 C ATOM 181 CZ TYR A 13 -5.624 -1.534 -2.603 1.00 0.00 C ATOM 182 OH TYR A 13 -5.104 -2.807 -2.653 1.00 0.00 O ATOM 0 H TYR A 13 -8.593 4.528 -2.266 1.00 0.00 H new ATOM 0 HA TYR A 13 -9.265 1.796 -2.114 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -7.405 2.807 -3.452 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.527 3.102 -1.964 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -8.424 0.163 -3.366 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.791 1.581 -1.649 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -7.496 -2.108 -3.455 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.860 -0.690 -1.743 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.436 -3.265 -3.454 1.00 0.00 H new ATOM 192 N VAL A 14 -7.725 3.104 0.509 1.00 0.00 N ATOM 193 CA VAL A 14 -7.442 2.920 1.925 1.00 0.00 C ATOM 194 C VAL A 14 -8.733 2.910 2.737 1.00 0.00 C ATOM 195 O VAL A 14 -8.892 2.123 3.670 1.00 0.00 O ATOM 196 CB VAL A 14 -6.520 4.034 2.453 1.00 0.00 C ATOM 197 CG1 VAL A 14 -6.108 3.759 3.891 1.00 0.00 C ATOM 198 CG2 VAL A 14 -5.299 4.185 1.553 1.00 0.00 C ATOM 0 H VAL A 14 -7.414 3.999 0.131 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.939 1.960 2.036 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.072 4.974 2.439 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.457 4.559 4.242 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.996 3.711 4.521 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.575 2.809 3.942 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.657 4.977 1.940 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.745 3.247 1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.621 4.440 0.543 1.00 0.00 H new ATOM 208 N ASN A 15 -9.652 3.795 2.365 1.00 0.00 N ATOM 209 CA ASN A 15 -10.939 3.911 3.037 1.00 0.00 C ATOM 210 C ASN A 15 -11.739 2.621 2.906 1.00 0.00 C ATOM 211 O ASN A 15 -12.351 2.157 3.868 1.00 0.00 O ATOM 212 CB ASN A 15 -11.726 5.086 2.446 1.00 0.00 C ATOM 213 CG ASN A 15 -13.081 5.270 3.102 1.00 0.00 C ATOM 214 OD1 ASN A 15 -13.947 4.397 3.026 1.00 0.00 O ATOM 215 ND2 ASN A 15 -13.273 6.411 3.753 1.00 0.00 N ATOM 0 H ASN A 15 -9.526 4.449 1.592 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.763 4.093 4.097 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.145 6.001 2.559 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -11.863 4.925 1.377 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -14.165 6.591 4.215 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.529 7.108 3.792 1.00 0.00 H new ATOM 222 N LYS A 16 -11.726 2.043 1.711 1.00 0.00 N ATOM 223 CA LYS A 16 -12.444 0.804 1.450 1.00 0.00 C ATOM 224 C LYS A 16 -11.830 -0.341 2.243 1.00 0.00 C ATOM 225 O LYS A 16 -12.542 -1.188 2.775 1.00 0.00 O ATOM 226 CB LYS A 16 -12.419 0.484 -0.046 1.00 0.00 C ATOM 227 CG LYS A 16 -13.212 -0.759 -0.423 1.00 0.00 C ATOM 228 CD LYS A 16 -13.091 -1.067 -1.909 1.00 0.00 C ATOM 229 CE LYS A 16 -13.629 0.069 -2.764 1.00 0.00 C ATOM 230 NZ LYS A 16 -13.461 -0.203 -4.217 1.00 0.00 N ATOM 0 H LYS A 16 -11.224 2.415 0.905 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.480 0.929 1.765 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.815 1.337 -0.597 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.384 0.353 -0.363 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.854 -1.610 0.157 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -14.261 -0.615 -0.164 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.046 -1.247 -2.159 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.636 -1.983 -2.136 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -14.685 0.221 -2.543 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.113 0.994 -2.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.840 0.595 -4.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.451 -0.323 -4.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.974 -1.072 -4.469 1.00 0.00 H new ATOM 244 N ILE A 17 -10.505 -0.351 2.327 1.00 0.00 N ATOM 245 CA ILE A 17 -9.792 -1.382 3.070 1.00 0.00 C ATOM 246 C ILE A 17 -10.217 -1.364 4.534 1.00 0.00 C ATOM 247 O ILE A 17 -10.408 -2.411 5.153 1.00 0.00 O ATOM 248 CB ILE A 17 -8.265 -1.185 2.968 1.00 0.00 C ATOM 249 CG1 ILE A 17 -7.800 -1.415 1.529 1.00 0.00 C ATOM 250 CG2 ILE A 17 -7.534 -2.113 3.927 1.00 0.00 C ATOM 251 CD1 ILE A 17 -6.332 -1.118 1.307 1.00 0.00 C ATOM 0 H ILE A 17 -9.902 0.345 1.889 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.045 -2.348 2.632 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.028 -0.159 3.250 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.997 -2.451 1.254 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.393 -0.790 0.861 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.459 -1.956 3.837 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.847 -1.900 4.949 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.771 -3.149 3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.077 -1.304 0.264 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.131 -0.074 1.549 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.730 -1.761 1.948 1.00 0.00 H new ATOM 263 N LYS A 18 -10.371 -0.160 5.074 1.00 0.00 N ATOM 264 CA LYS A 18 -10.785 0.017 6.460 1.00 0.00 C ATOM 265 C LYS A 18 -12.195 -0.520 6.671 1.00 0.00 C ATOM 266 O LYS A 18 -12.430 -1.378 7.522 1.00 0.00 O ATOM 267 CB LYS A 18 -10.749 1.503 6.824 1.00 0.00 C ATOM 268 CG LYS A 18 -11.126 1.791 8.271 1.00 0.00 C ATOM 269 CD LYS A 18 -11.253 3.287 8.532 1.00 0.00 C ATOM 270 CE LYS A 18 -9.923 4.005 8.370 1.00 0.00 C ATOM 271 NZ LYS A 18 -8.905 3.508 9.335 1.00 0.00 N ATOM 0 H LYS A 18 -10.214 0.712 4.569 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.097 -0.536 7.100 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.747 1.889 6.636 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.429 2.045 6.167 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.070 1.299 8.506 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.372 1.368 8.935 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.983 3.715 7.845 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.632 3.449 9.541 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.557 3.867 7.353 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.068 5.076 8.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.453 4.316 9.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.365 2.903 10.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.184 2.958 8.826 1.00 0.00 H new ATOM 285 N THR A 19 -13.123 0.010 5.888 1.00 0.00 N ATOM 286 CA THR A 19 -14.528 -0.380 5.968 1.00 0.00 C ATOM 287 C THR A 19 -14.733 -1.852 5.625 1.00 0.00 C ATOM 288 O THR A 19 -15.666 -2.487 6.116 1.00 0.00 O ATOM 289 CB THR A 19 -15.399 0.480 5.028 1.00 0.00 C ATOM 290 OG1 THR A 19 -16.787 0.236 5.282 1.00 0.00 O ATOM 291 CG2 THR A 19 -15.092 0.177 3.569 1.00 0.00 C ATOM 0 H THR A 19 -12.928 0.719 5.182 1.00 0.00 H new ATOM 0 HA THR A 19 -14.834 -0.216 7.001 1.00 0.00 H new ATOM 0 HB THR A 19 -15.169 1.528 5.223 1.00 0.00 H new ATOM 0 HG1 THR A 19 -17.331 0.787 4.682 1.00 0.00 H new ATOM 0 HG21 THR A 19 -15.720 0.797 2.929 1.00 0.00 H new ATOM 0 HG22 THR A 19 -14.043 0.392 3.366 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.293 -0.875 3.366 1.00 0.00 H new ATOM 299 N ARG A 20 -13.871 -2.385 4.773 1.00 0.00 N ATOM 300 CA ARG A 20 -13.975 -3.778 4.361 1.00 0.00 C ATOM 301 C ARG A 20 -13.668 -4.720 5.516 1.00 0.00 C ATOM 302 O ARG A 20 -14.496 -5.548 5.894 1.00 0.00 O ATOM 303 CB ARG A 20 -13.020 -4.062 3.199 1.00 0.00 C ATOM 304 CG ARG A 20 -12.939 -5.533 2.822 1.00 0.00 C ATOM 305 CD ARG A 20 -14.311 -6.097 2.498 1.00 0.00 C ATOM 306 NE ARG A 20 -14.261 -7.519 2.165 1.00 0.00 N ATOM 307 CZ ARG A 20 -15.335 -8.242 1.860 1.00 0.00 C ATOM 308 NH1 ARG A 20 -16.537 -7.682 1.851 1.00 0.00 N ATOM 309 NH2 ARG A 20 -15.208 -9.529 1.564 1.00 0.00 N ATOM 0 H ARG A 20 -13.093 -1.876 4.354 1.00 0.00 H new ATOM 0 HA ARG A 20 -15.001 -3.952 4.038 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.340 -3.490 2.328 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.024 -3.708 3.464 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.281 -5.654 1.961 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.496 -6.097 3.643 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.973 -5.949 3.351 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.740 -5.545 1.662 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.352 -7.983 2.167 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.641 -6.693 2.079 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -17.358 -8.240 1.617 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.286 -9.965 1.570 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -16.032 -10.082 1.330 1.00 0.00 H new ATOM 323 N PHE A 21 -12.463 -4.602 6.056 1.00 0.00 N ATOM 324 CA PHE A 21 -12.030 -5.457 7.151 1.00 0.00 C ATOM 325 C PHE A 21 -12.325 -4.849 8.521 1.00 0.00 C ATOM 326 O PHE A 21 -11.518 -4.978 9.442 1.00 0.00 O ATOM 327 CB PHE A 21 -10.535 -5.745 7.032 1.00 0.00 C ATOM 328 CG PHE A 21 -10.131 -6.348 5.718 1.00 0.00 C ATOM 329 CD1 PHE A 21 -9.902 -5.546 4.611 1.00 0.00 C ATOM 330 CD2 PHE A 21 -9.953 -7.717 5.596 1.00 0.00 C ATOM 331 CE1 PHE A 21 -9.507 -6.098 3.408 1.00 0.00 C ATOM 332 CE2 PHE A 21 -9.555 -8.273 4.398 1.00 0.00 C ATOM 333 CZ PHE A 21 -9.332 -7.463 3.302 1.00 0.00 C ATOM 0 H PHE A 21 -11.767 -3.921 5.752 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.598 -6.384 7.074 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -9.984 -4.816 7.178 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.241 -6.420 7.836 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.034 -4.477 4.690 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -10.128 -8.356 6.449 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.335 -5.463 2.552 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -9.418 -9.341 4.317 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.021 -7.897 2.363 1.00 0.00 H new ATOM 343 N LEU A 22 -13.482 -4.204 8.666 1.00 0.00 N ATOM 344 CA LEU A 22 -13.856 -3.610 9.948 1.00 0.00 C ATOM 345 C LEU A 22 -13.739 -4.638 11.070 1.00 0.00 C ATOM 346 O LEU A 22 -13.336 -4.313 12.188 1.00 0.00 O ATOM 347 CB LEU A 22 -15.287 -3.066 9.896 1.00 0.00 C ATOM 348 CG LEU A 22 -15.485 -1.818 9.033 1.00 0.00 C ATOM 349 CD1 LEU A 22 -16.957 -1.441 8.974 1.00 0.00 C ATOM 350 CD2 LEU A 22 -14.660 -0.660 9.574 1.00 0.00 C ATOM 0 H LEU A 22 -14.168 -4.080 7.922 1.00 0.00 H new ATOM 0 HA LEU A 22 -13.172 -2.786 10.148 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -15.943 -3.853 9.523 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -15.608 -2.839 10.912 1.00 0.00 H new ATOM 0 HG LEU A 22 -15.145 -2.040 8.022 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -17.080 -0.551 8.356 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -17.526 -2.264 8.542 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -17.321 -1.237 9.981 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -14.813 0.219 8.948 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -14.971 -0.437 10.595 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.604 -0.931 9.567 1.00 0.00 H new ATOM 362 N ASP A 23 -14.095 -5.881 10.757 1.00 0.00 N ATOM 363 CA ASP A 23 -14.037 -6.970 11.725 1.00 0.00 C ATOM 364 C ASP A 23 -12.601 -7.435 11.944 1.00 0.00 C ATOM 365 O ASP A 23 -12.225 -7.791 13.060 1.00 0.00 O ATOM 366 CB ASP A 23 -14.896 -8.143 11.257 1.00 0.00 C ATOM 367 CG ASP A 23 -16.345 -7.751 11.045 1.00 0.00 C ATOM 368 OD1 ASP A 23 -16.606 -6.873 10.196 1.00 0.00 O ATOM 369 OD2 ASP A 23 -17.220 -8.325 11.728 1.00 0.00 O ATOM 0 H ASP A 23 -14.429 -6.159 9.834 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.426 -6.596 12.672 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -14.490 -8.538 10.326 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.844 -8.945 11.994 1.00 0.00 H new ATOM 374 N HIS A 24 -11.814 -7.450 10.868 1.00 0.00 N ATOM 375 CA HIS A 24 -10.431 -7.882 10.925 1.00 0.00 C ATOM 376 C HIS A 24 -9.472 -6.686 10.875 1.00 0.00 C ATOM 377 O HIS A 24 -8.894 -6.393 9.828 1.00 0.00 O ATOM 378 CB HIS A 24 -10.160 -8.817 9.755 1.00 0.00 C ATOM 379 CG HIS A 24 -11.099 -9.980 9.684 1.00 0.00 C ATOM 380 ND1 HIS A 24 -11.208 -10.925 10.683 1.00 0.00 N ATOM 381 CD2 HIS A 24 -11.980 -10.348 8.724 1.00 0.00 C ATOM 382 CE1 HIS A 24 -12.115 -11.823 10.339 1.00 0.00 C ATOM 383 NE2 HIS A 24 -12.598 -11.495 9.156 1.00 0.00 N ATOM 0 H HIS A 24 -12.122 -7.163 9.939 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.262 -8.402 11.868 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -10.226 -8.251 8.826 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.139 -9.190 9.829 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -12.163 -9.834 7.792 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -12.410 -12.680 10.927 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -13.315 -12.010 8.645 1.00 0.00 H new ATOM 392 N PRO A 25 -9.286 -5.977 12.005 1.00 0.00 N ATOM 393 CA PRO A 25 -8.389 -4.814 12.079 1.00 0.00 C ATOM 394 C PRO A 25 -6.950 -5.161 11.721 1.00 0.00 C ATOM 395 O PRO A 25 -6.240 -4.356 11.119 1.00 0.00 O ATOM 396 CB PRO A 25 -8.482 -4.378 13.544 1.00 0.00 C ATOM 397 CG PRO A 25 -8.998 -5.572 14.267 1.00 0.00 C ATOM 398 CD PRO A 25 -9.925 -6.246 13.301 1.00 0.00 C ATOM 0 HA PRO A 25 -8.679 -4.039 11.370 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.508 -4.074 13.928 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.151 -3.526 13.661 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.185 -6.236 14.561 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.521 -5.285 15.179 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.009 -7.315 13.498 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.932 -5.833 13.350 1.00 0.00 H new ATOM 406 N GLU A 26 -6.524 -6.364 12.099 1.00 0.00 N ATOM 407 CA GLU A 26 -5.166 -6.824 11.823 1.00 0.00 C ATOM 408 C GLU A 26 -4.815 -6.643 10.349 1.00 0.00 C ATOM 409 O GLU A 26 -3.664 -6.381 10.002 1.00 0.00 O ATOM 410 CB GLU A 26 -5.011 -8.294 12.219 1.00 0.00 C ATOM 411 CG GLU A 26 -5.956 -9.229 11.479 1.00 0.00 C ATOM 412 CD GLU A 26 -5.767 -10.683 11.869 1.00 0.00 C ATOM 413 OE1 GLU A 26 -4.900 -10.964 12.723 1.00 0.00 O ATOM 414 OE2 GLU A 26 -6.489 -11.542 11.320 1.00 0.00 O ATOM 0 H GLU A 26 -7.102 -7.040 12.599 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.480 -6.220 12.417 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.984 -8.606 12.030 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.182 -8.392 13.291 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.985 -8.934 11.682 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.800 -9.122 10.406 1.00 0.00 H new ATOM 421 N ILE A 27 -5.817 -6.788 9.488 1.00 0.00 N ATOM 422 CA ILE A 27 -5.620 -6.645 8.050 1.00 0.00 C ATOM 423 C ILE A 27 -5.209 -5.220 7.699 1.00 0.00 C ATOM 424 O ILE A 27 -4.222 -5.000 6.998 1.00 0.00 O ATOM 425 CB ILE A 27 -6.908 -6.971 7.279 1.00 0.00 C ATOM 426 CG1 ILE A 27 -7.576 -8.225 7.849 1.00 0.00 C ATOM 427 CG2 ILE A 27 -6.604 -7.142 5.797 1.00 0.00 C ATOM 428 CD1 ILE A 27 -6.839 -9.513 7.566 1.00 0.00 C ATOM 0 H ILE A 27 -6.775 -7.005 9.762 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.833 -7.344 7.766 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.604 -6.140 7.394 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.677 -8.109 8.928 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.584 -8.301 7.441 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.525 -7.373 5.261 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.177 -6.219 5.404 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.892 -7.957 5.663 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.384 -10.348 8.006 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.761 -9.658 6.489 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.840 -9.463 7.998 1.00 0.00 H new ATOM 440 N TYR A 28 -5.984 -4.258 8.191 1.00 0.00 N ATOM 441 CA TYR A 28 -5.719 -2.848 7.935 1.00 0.00 C ATOM 442 C TYR A 28 -4.326 -2.467 8.420 1.00 0.00 C ATOM 443 O TYR A 28 -3.557 -1.832 7.699 1.00 0.00 O ATOM 444 CB TYR A 28 -6.769 -1.990 8.634 1.00 0.00 C ATOM 445 CG TYR A 28 -6.696 -0.524 8.286 1.00 0.00 C ATOM 446 CD1 TYR A 28 -6.932 -0.093 6.990 1.00 0.00 C ATOM 447 CD2 TYR A 28 -6.403 0.427 9.253 1.00 0.00 C ATOM 448 CE1 TYR A 28 -6.876 1.247 6.662 1.00 0.00 C ATOM 449 CE2 TYR A 28 -6.347 1.771 8.937 1.00 0.00 C ATOM 450 CZ TYR A 28 -6.583 2.176 7.639 1.00 0.00 C ATOM 451 OH TYR A 28 -6.526 3.513 7.317 1.00 0.00 O ATOM 0 H TYR A 28 -6.804 -4.432 8.772 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.769 -2.673 6.860 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.760 -2.365 8.376 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.656 -2.103 9.712 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -7.164 -0.818 6.224 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.216 0.112 10.269 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -7.060 1.566 5.647 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -6.120 2.500 9.701 1.00 0.00 H new ATOM 0 HH TYR A 28 -6.309 4.034 8.119 1.00 0.00 H new ATOM 461 N ARG A 29 -4.008 -2.871 9.645 1.00 0.00 N ATOM 462 CA ARG A 29 -2.711 -2.589 10.240 1.00 0.00 C ATOM 463 C ARG A 29 -1.575 -3.106 9.364 1.00 0.00 C ATOM 464 O ARG A 29 -0.643 -2.370 9.041 1.00 0.00 O ATOM 465 CB ARG A 29 -2.631 -3.244 11.613 1.00 0.00 C ATOM 466 CG ARG A 29 -3.555 -2.623 12.646 1.00 0.00 C ATOM 467 CD ARG A 29 -3.136 -1.201 12.992 1.00 0.00 C ATOM 468 NE ARG A 29 -3.955 -0.628 14.059 1.00 0.00 N ATOM 469 CZ ARG A 29 -5.263 -0.410 13.955 1.00 0.00 C ATOM 470 NH1 ARG A 29 -5.903 -0.702 12.829 1.00 0.00 N ATOM 471 NH2 ARG A 29 -5.933 0.104 14.977 1.00 0.00 N ATOM 0 H ARG A 29 -4.638 -3.399 10.248 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.605 -1.508 10.332 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.872 -4.303 11.514 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.605 -3.183 11.975 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.576 -2.619 12.265 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.554 -3.233 13.549 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.090 -1.196 13.297 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.211 -0.575 12.103 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.496 -0.381 14.936 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.392 -1.095 12.039 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.906 -0.533 12.754 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.445 0.332 15.843 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.936 0.271 14.897 1.00 0.00 H new ATOM 485 N SER A 30 -1.658 -4.380 8.998 1.00 0.00 N ATOM 486 CA SER A 30 -0.637 -5.015 8.169 1.00 0.00 C ATOM 487 C SER A 30 -0.389 -4.227 6.883 1.00 0.00 C ATOM 488 O SER A 30 0.750 -3.885 6.574 1.00 0.00 O ATOM 489 CB SER A 30 -1.046 -6.449 7.831 1.00 0.00 C ATOM 490 OG SER A 30 -1.192 -7.229 9.005 1.00 0.00 O ATOM 0 H SER A 30 -2.425 -4.997 9.263 1.00 0.00 H new ATOM 0 HA SER A 30 0.291 -5.029 8.740 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.985 -6.442 7.277 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.296 -6.901 7.182 1.00 0.00 H new ATOM 0 HG SER A 30 -2.025 -6.984 9.459 1.00 0.00 H new ATOM 496 N PHE A 31 -1.460 -3.943 6.142 1.00 0.00 N ATOM 497 CA PHE A 31 -1.354 -3.193 4.891 1.00 0.00 C ATOM 498 C PHE A 31 -0.544 -1.917 5.087 1.00 0.00 C ATOM 499 O PHE A 31 0.408 -1.646 4.348 1.00 0.00 O ATOM 500 CB PHE A 31 -2.749 -2.837 4.371 1.00 0.00 C ATOM 501 CG PHE A 31 -2.734 -1.912 3.187 1.00 0.00 C ATOM 502 CD1 PHE A 31 -2.210 -2.325 1.970 1.00 0.00 C ATOM 503 CD2 PHE A 31 -3.236 -0.625 3.293 1.00 0.00 C ATOM 504 CE1 PHE A 31 -2.191 -1.471 0.884 1.00 0.00 C ATOM 505 CE2 PHE A 31 -3.219 0.233 2.209 1.00 0.00 C ATOM 506 CZ PHE A 31 -2.696 -0.190 1.004 1.00 0.00 C ATOM 0 H PHE A 31 -2.410 -4.221 6.386 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.843 -3.823 4.163 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.270 -3.754 4.098 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.320 -2.374 5.176 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.813 -3.324 1.871 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.646 -0.288 4.234 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.782 -1.804 -0.058 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.615 1.233 2.305 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.681 0.479 0.156 1.00 0.00 H new ATOM 516 N LEU A 32 -0.931 -1.139 6.090 1.00 0.00 N ATOM 517 CA LEU A 32 -0.249 0.108 6.396 1.00 0.00 C ATOM 518 C LEU A 32 1.222 -0.149 6.685 1.00 0.00 C ATOM 519 O LEU A 32 2.091 0.562 6.193 1.00 0.00 O ATOM 520 CB LEU A 32 -0.912 0.789 7.593 1.00 0.00 C ATOM 521 CG LEU A 32 -2.412 1.042 7.440 1.00 0.00 C ATOM 522 CD1 LEU A 32 -2.977 1.661 8.705 1.00 0.00 C ATOM 523 CD2 LEU A 32 -2.679 1.938 6.243 1.00 0.00 C ATOM 0 H LEU A 32 -1.716 -1.352 6.706 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.322 0.767 5.531 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.751 0.174 8.478 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.414 1.742 7.772 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.909 0.086 7.273 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.046 1.835 8.579 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.816 0.985 9.544 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.476 2.609 8.901 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.751 2.108 6.148 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.171 2.892 6.382 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.307 1.457 5.338 1.00 0.00 H new ATOM 535 N GLU A 33 1.490 -1.183 7.478 1.00 0.00 N ATOM 536 CA GLU A 33 2.856 -1.550 7.829 1.00 0.00 C ATOM 537 C GLU A 33 3.646 -1.937 6.585 1.00 0.00 C ATOM 538 O GLU A 33 4.858 -1.760 6.539 1.00 0.00 O ATOM 539 CB GLU A 33 2.857 -2.703 8.837 1.00 0.00 C ATOM 540 CG GLU A 33 4.245 -3.109 9.304 1.00 0.00 C ATOM 541 CD GLU A 33 4.982 -1.979 9.996 1.00 0.00 C ATOM 542 OE1 GLU A 33 4.477 -1.484 11.026 1.00 0.00 O ATOM 543 OE2 GLU A 33 6.064 -1.588 9.508 1.00 0.00 O ATOM 0 H GLU A 33 0.775 -1.783 7.890 1.00 0.00 H new ATOM 0 HA GLU A 33 3.335 -0.685 8.287 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.262 -2.416 9.704 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.368 -3.567 8.387 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.162 -3.955 9.986 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.828 -3.447 8.447 1.00 0.00 H new ATOM 550 N ILE A 34 2.958 -2.462 5.571 1.00 0.00 N ATOM 551 CA ILE A 34 3.622 -2.850 4.332 1.00 0.00 C ATOM 552 C ILE A 34 4.203 -1.620 3.647 1.00 0.00 C ATOM 553 O ILE A 34 5.409 -1.540 3.400 1.00 0.00 O ATOM 554 CB ILE A 34 2.660 -3.563 3.374 1.00 0.00 C ATOM 555 CG1 ILE A 34 2.114 -4.821 4.041 1.00 0.00 C ATOM 556 CG2 ILE A 34 3.367 -3.906 2.068 1.00 0.00 C ATOM 557 CD1 ILE A 34 1.109 -5.559 3.197 1.00 0.00 C ATOM 0 H ILE A 34 1.951 -2.626 5.584 1.00 0.00 H new ATOM 0 HA ILE A 34 4.422 -3.544 4.589 1.00 0.00 H new ATOM 0 HB ILE A 34 1.828 -2.899 3.141 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.943 -5.489 4.272 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.650 -4.548 4.989 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.671 -4.412 1.399 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.724 -2.991 1.596 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.213 -4.562 2.274 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.763 -6.443 3.733 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.261 -4.907 2.987 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.574 -5.863 2.259 1.00 0.00 H new ATOM 569 N LEU A 35 3.338 -0.647 3.373 1.00 0.00 N ATOM 570 CA LEU A 35 3.763 0.601 2.749 1.00 0.00 C ATOM 571 C LEU A 35 4.738 1.322 3.675 1.00 0.00 C ATOM 572 O LEU A 35 5.742 1.889 3.237 1.00 0.00 O ATOM 573 CB LEU A 35 2.548 1.493 2.472 1.00 0.00 C ATOM 574 CG LEU A 35 1.486 0.889 1.549 1.00 0.00 C ATOM 575 CD1 LEU A 35 0.216 1.726 1.580 1.00 0.00 C ATOM 576 CD2 LEU A 35 2.010 0.785 0.125 1.00 0.00 C ATOM 0 H LEU A 35 2.339 -0.699 3.573 1.00 0.00 H new ATOM 0 HA LEU A 35 4.256 0.380 1.802 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.078 1.744 3.423 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.897 2.428 2.033 1.00 0.00 H new ATOM 0 HG LEU A 35 1.253 -0.114 1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.528 1.283 0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.175 1.757 2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.440 2.739 1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.241 0.353 -0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.271 1.778 -0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.895 0.149 0.108 1.00 0.00 H new ATOM 588 N HIS A 36 4.425 1.274 4.967 1.00 0.00 N ATOM 589 CA HIS A 36 5.245 1.894 6.000 1.00 0.00 C ATOM 590 C HIS A 36 6.661 1.324 5.997 1.00 0.00 C ATOM 591 O HIS A 36 7.639 2.067 6.027 1.00 0.00 O ATOM 592 CB HIS A 36 4.591 1.681 7.371 1.00 0.00 C ATOM 593 CG HIS A 36 3.660 2.785 7.771 1.00 0.00 C ATOM 594 ND1 HIS A 36 4.036 4.111 7.807 1.00 0.00 N ATOM 595 CD2 HIS A 36 2.365 2.753 8.165 1.00 0.00 C ATOM 596 CE1 HIS A 36 3.012 4.847 8.205 1.00 0.00 C ATOM 597 NE2 HIS A 36 1.986 4.047 8.427 1.00 0.00 N ATOM 0 H HIS A 36 3.594 0.803 5.326 1.00 0.00 H new ATOM 0 HA HIS A 36 5.315 2.962 5.792 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.041 0.740 7.359 1.00 0.00 H new ATOM 0 HB3 HIS A 36 5.372 1.585 8.125 1.00 0.00 H new ATOM 0 HD2 HIS A 36 1.745 1.873 8.256 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.015 5.920 8.328 1.00 0.00 H new ATOM 0 HE2 HIS A 36 1.062 4.342 8.742 1.00 0.00 H new ATOM 606 N THR A 37 6.757 0.001 5.953 1.00 0.00 N ATOM 607 CA THR A 37 8.047 -0.678 5.940 1.00 0.00 C ATOM 608 C THR A 37 8.867 -0.255 4.728 1.00 0.00 C ATOM 609 O THR A 37 10.083 -0.084 4.815 1.00 0.00 O ATOM 610 CB THR A 37 7.872 -2.210 5.932 1.00 0.00 C ATOM 611 OG1 THR A 37 7.217 -2.635 7.133 1.00 0.00 O ATOM 612 CG2 THR A 37 9.215 -2.916 5.810 1.00 0.00 C ATOM 0 H THR A 37 5.953 -0.626 5.926 1.00 0.00 H new ATOM 0 HA THR A 37 8.575 -0.391 6.849 1.00 0.00 H new ATOM 0 HB THR A 37 7.262 -2.474 5.068 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.292 -2.312 7.133 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.060 -3.995 5.807 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.700 -2.617 4.881 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.848 -2.643 6.654 1.00 0.00 H new ATOM 939 N GLU A 57 8.208 -6.144 -3.504 1.00 0.00 N ATOM 940 CA GLU A 57 7.875 -6.763 -2.225 1.00 0.00 C ATOM 941 C GLU A 57 6.544 -6.249 -1.684 1.00 0.00 C ATOM 942 O GLU A 57 5.718 -7.032 -1.214 1.00 0.00 O ATOM 943 CB GLU A 57 8.991 -6.531 -1.205 1.00 0.00 C ATOM 944 CG GLU A 57 8.653 -7.046 0.183 1.00 0.00 C ATOM 945 CD GLU A 57 9.880 -7.250 1.049 1.00 0.00 C ATOM 946 OE1 GLU A 57 10.622 -6.271 1.270 1.00 0.00 O ATOM 947 OE2 GLU A 57 10.100 -8.392 1.506 1.00 0.00 O ATOM 0 HA GLU A 57 7.775 -7.835 -2.395 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.901 -7.019 -1.555 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.205 -5.464 -1.147 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.981 -6.342 0.673 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.116 -7.990 0.094 1.00 0.00 H new ATOM 954 N VAL A 58 6.336 -4.937 -1.751 1.00 0.00 N ATOM 955 CA VAL A 58 5.095 -4.341 -1.267 1.00 0.00 C ATOM 956 C VAL A 58 3.892 -5.020 -1.915 1.00 0.00 C ATOM 957 O VAL A 58 2.911 -5.340 -1.245 1.00 0.00 O ATOM 958 CB VAL A 58 5.037 -2.826 -1.550 1.00 0.00 C ATOM 959 CG1 VAL A 58 3.737 -2.230 -1.033 1.00 0.00 C ATOM 960 CG2 VAL A 58 6.232 -2.119 -0.931 1.00 0.00 C ATOM 0 H VAL A 58 7.006 -4.270 -2.133 1.00 0.00 H new ATOM 0 HA VAL A 58 5.067 -4.489 -0.187 1.00 0.00 H new ATOM 0 HB VAL A 58 5.073 -2.681 -2.630 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.718 -1.161 -1.243 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.894 -2.712 -1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.666 -2.389 0.043 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.172 -1.051 -1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.229 -2.276 0.148 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.152 -2.522 -1.354 1.00 0.00 H new ATOM 970 N PHE A 59 3.989 -5.254 -3.219 1.00 0.00 N ATOM 971 CA PHE A 59 2.924 -5.915 -3.963 1.00 0.00 C ATOM 972 C PHE A 59 2.701 -7.322 -3.424 1.00 0.00 C ATOM 973 O PHE A 59 1.580 -7.832 -3.418 1.00 0.00 O ATOM 974 CB PHE A 59 3.281 -5.975 -5.452 1.00 0.00 C ATOM 975 CG PHE A 59 2.208 -6.584 -6.313 1.00 0.00 C ATOM 976 CD1 PHE A 59 0.907 -6.108 -6.268 1.00 0.00 C ATOM 977 CD2 PHE A 59 2.504 -7.634 -7.168 1.00 0.00 C ATOM 978 CE1 PHE A 59 -0.077 -6.666 -7.061 1.00 0.00 C ATOM 979 CE2 PHE A 59 1.523 -8.197 -7.963 1.00 0.00 C ATOM 980 CZ PHE A 59 0.231 -7.712 -7.909 1.00 0.00 C ATOM 0 H PHE A 59 4.798 -4.995 -3.784 1.00 0.00 H new ATOM 0 HA PHE A 59 2.005 -5.342 -3.842 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.488 -4.965 -5.807 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.199 -6.550 -5.572 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.660 -5.292 -5.606 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.513 -8.017 -7.214 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.087 -6.285 -7.018 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.767 -9.015 -8.625 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.537 -8.150 -8.529 1.00 0.00 H new ATOM 990 N THR A 60 3.787 -7.943 -2.979 1.00 0.00 N ATOM 991 CA THR A 60 3.745 -9.296 -2.440 1.00 0.00 C ATOM 992 C THR A 60 2.990 -9.364 -1.111 1.00 0.00 C ATOM 993 O THR A 60 2.027 -10.116 -0.975 1.00 0.00 O ATOM 994 CB THR A 60 5.173 -9.844 -2.241 1.00 0.00 C ATOM 995 OG1 THR A 60 5.814 -10.013 -3.511 1.00 0.00 O ATOM 996 CG2 THR A 60 5.163 -11.166 -1.493 1.00 0.00 C ATOM 0 H THR A 60 4.717 -7.525 -2.982 1.00 0.00 H new ATOM 0 HA THR A 60 3.211 -9.908 -3.167 1.00 0.00 H new ATOM 0 HB THR A 60 5.727 -9.121 -1.643 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.721 -10.360 -3.376 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.186 -11.523 -1.371 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.708 -11.026 -0.513 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.588 -11.900 -2.058 1.00 0.00 H new ATOM 1004 N GLU A 61 3.443 -8.585 -0.134 1.00 0.00 N ATOM 1005 CA GLU A 61 2.826 -8.565 1.186 1.00 0.00 C ATOM 1006 C GLU A 61 1.345 -8.207 1.106 1.00 0.00 C ATOM 1007 O GLU A 61 0.515 -8.829 1.768 1.00 0.00 O ATOM 1008 CB GLU A 61 3.561 -7.580 2.096 1.00 0.00 C ATOM 1009 CG GLU A 61 5.034 -7.912 2.280 1.00 0.00 C ATOM 1010 CD GLU A 61 5.743 -6.938 3.200 1.00 0.00 C ATOM 1011 OE1 GLU A 61 5.082 -6.005 3.701 1.00 0.00 O ATOM 1012 OE2 GLU A 61 6.960 -7.110 3.422 1.00 0.00 O ATOM 0 H GLU A 61 4.240 -7.956 -0.234 1.00 0.00 H new ATOM 0 HA GLU A 61 2.903 -9.567 1.607 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.471 -6.576 1.680 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.075 -7.566 3.071 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.127 -8.920 2.684 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.527 -7.911 1.308 1.00 0.00 H new ATOM 1019 N VAL A 62 1.015 -7.213 0.286 1.00 0.00 N ATOM 1020 CA VAL A 62 -0.374 -6.798 0.124 1.00 0.00 C ATOM 1021 C VAL A 62 -1.191 -7.929 -0.492 1.00 0.00 C ATOM 1022 O VAL A 62 -2.319 -8.192 -0.074 1.00 0.00 O ATOM 1023 CB VAL A 62 -0.495 -5.537 -0.754 1.00 0.00 C ATOM 1024 CG1 VAL A 62 -1.956 -5.156 -0.951 1.00 0.00 C ATOM 1025 CG2 VAL A 62 0.282 -4.384 -0.138 1.00 0.00 C ATOM 0 H VAL A 62 1.685 -6.684 -0.272 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.762 -6.559 1.114 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.067 -5.757 -1.732 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.018 -4.263 -1.574 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.483 -5.976 -1.438 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.414 -4.955 0.018 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.186 -3.502 -0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.116 -4.165 0.853 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.334 -4.658 -0.054 1.00 0.00 H new ATOM 1035 N ALA A 63 -0.606 -8.606 -1.477 1.00 0.00 N ATOM 1036 CA ALA A 63 -1.270 -9.724 -2.134 1.00 0.00 C ATOM 1037 C ALA A 63 -1.572 -10.821 -1.124 1.00 0.00 C ATOM 1038 O ALA A 63 -2.645 -11.424 -1.140 1.00 0.00 O ATOM 1039 CB ALA A 63 -0.409 -10.262 -3.266 1.00 0.00 C ATOM 0 H ALA A 63 0.326 -8.399 -1.836 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.211 -9.373 -2.557 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.920 -11.097 -3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.236 -9.473 -3.998 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.546 -10.602 -2.866 1.00 0.00 H new ATOM 1045 N ASN A 64 -0.613 -11.060 -0.236 1.00 0.00 N ATOM 1046 CA ASN A 64 -0.754 -12.069 0.805 1.00 0.00 C ATOM 1047 C ASN A 64 -1.894 -11.717 1.754 1.00 0.00 C ATOM 1048 O ASN A 64 -2.629 -12.593 2.211 1.00 0.00 O ATOM 1049 CB ASN A 64 0.562 -12.206 1.573 1.00 0.00 C ATOM 1050 CG ASN A 64 1.632 -12.902 0.755 1.00 0.00 C ATOM 1051 OD1 ASN A 64 1.454 -14.040 0.320 1.00 0.00 O ATOM 1052 ND2 ASN A 64 2.752 -12.221 0.540 1.00 0.00 N ATOM 0 H ASN A 64 0.278 -10.563 -0.218 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.993 -13.023 0.336 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.916 -11.217 1.864 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.388 -12.766 2.492 1.00 0.00 H new ATOM 0 HD21 ASN A 64 3.507 -12.639 -0.004 1.00 0.00 H new ATOM 0 HD22 ASN A 64 2.857 -11.280 0.919 1.00 0.00 H new ATOM 1059 N LEU A 65 -2.038 -10.427 2.039 1.00 0.00 N ATOM 1060 CA LEU A 65 -3.089 -9.943 2.924 1.00 0.00 C ATOM 1061 C LEU A 65 -4.470 -10.170 2.326 1.00 0.00 C ATOM 1062 O LEU A 65 -5.280 -10.925 2.861 1.00 0.00 O ATOM 1063 CB LEU A 65 -2.897 -8.452 3.169 1.00 0.00 C ATOM 1064 CG LEU A 65 -2.250 -8.075 4.496 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -1.989 -6.581 4.531 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -3.144 -8.486 5.657 1.00 0.00 C ATOM 0 H LEU A 65 -1.435 -9.694 1.666 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.022 -10.498 3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.288 -8.046 2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.870 -7.965 3.110 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.301 -8.603 4.592 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.526 -6.315 5.481 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.321 -6.309 3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.932 -6.044 4.423 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.668 -8.210 6.598 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.105 -7.978 5.574 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.300 -9.564 5.632 1.00 0.00 H new ATOM 1078 N PHE A 66 -4.727 -9.482 1.221 1.00 0.00 N ATOM 1079 CA PHE A 66 -6.010 -9.565 0.530 1.00 0.00 C ATOM 1080 C PHE A 66 -6.138 -10.866 -0.263 1.00 0.00 C ATOM 1081 O PHE A 66 -6.576 -10.858 -1.414 1.00 0.00 O ATOM 1082 CB PHE A 66 -6.167 -8.367 -0.411 1.00 0.00 C ATOM 1083 CG PHE A 66 -6.019 -7.021 0.256 1.00 0.00 C ATOM 1084 CD1 PHE A 66 -5.996 -6.896 1.641 1.00 0.00 C ATOM 1085 CD2 PHE A 66 -5.912 -5.871 -0.514 1.00 0.00 C ATOM 1086 CE1 PHE A 66 -5.865 -5.657 2.239 1.00 0.00 C ATOM 1087 CE2 PHE A 66 -5.783 -4.630 0.081 1.00 0.00 C ATOM 1088 CZ PHE A 66 -5.759 -4.524 1.457 1.00 0.00 C ATOM 0 H PHE A 66 -4.056 -8.853 0.779 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.799 -9.552 1.282 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -5.426 -8.447 -1.207 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -7.148 -8.418 -0.883 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.082 -7.779 2.257 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.930 -5.947 -1.591 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.846 -5.575 3.316 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.701 -3.744 -0.531 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.657 -3.555 1.922 1.00 0.00 H new ATOM 1098 N ARG A 67 -5.757 -11.979 0.354 1.00 0.00 N ATOM 1099 CA ARG A 67 -5.834 -13.280 -0.300 1.00 0.00 C ATOM 1100 C ARG A 67 -7.280 -13.634 -0.634 1.00 0.00 C ATOM 1101 O ARG A 67 -8.184 -13.422 0.174 1.00 0.00 O ATOM 1102 CB ARG A 67 -5.214 -14.358 0.592 1.00 0.00 C ATOM 1103 CG ARG A 67 -5.212 -15.744 -0.032 1.00 0.00 C ATOM 1104 CD ARG A 67 -4.525 -16.757 0.870 1.00 0.00 C ATOM 1105 NE ARG A 67 -4.497 -18.091 0.276 1.00 0.00 N ATOM 1106 CZ ARG A 67 -3.929 -19.145 0.856 1.00 0.00 C ATOM 1107 NH1 ARG A 67 -3.339 -19.019 2.039 1.00 0.00 N ATOM 1108 NH2 ARG A 67 -3.948 -20.325 0.253 1.00 0.00 N ATOM 0 H ARG A 67 -5.392 -12.006 1.306 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.272 -13.229 -1.232 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.188 -14.075 0.829 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.760 -14.395 1.535 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.238 -16.061 -0.222 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.705 -15.710 -0.996 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.505 -16.429 1.072 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.042 -16.798 1.828 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.938 -18.222 -0.635 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.320 -18.112 2.506 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.904 -19.829 2.481 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.398 -20.426 -0.657 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.512 -21.132 0.699 1.00 0.00 H new ATOM 1122 N GLY A 68 -7.489 -14.171 -1.834 1.00 0.00 N ATOM 1123 CA GLY A 68 -8.827 -14.541 -2.262 1.00 0.00 C ATOM 1124 C GLY A 68 -9.619 -13.351 -2.767 1.00 0.00 C ATOM 1125 O GLY A 68 -10.285 -13.432 -3.799 1.00 0.00 O ATOM 0 H GLY A 68 -6.755 -14.356 -2.517 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.760 -15.291 -3.050 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.358 -15.001 -1.429 1.00 0.00 H new ATOM 1129 N GLN A 69 -9.539 -12.242 -2.042 1.00 0.00 N ATOM 1130 CA GLN A 69 -10.245 -11.024 -2.423 1.00 0.00 C ATOM 1131 C GLN A 69 -9.326 -10.087 -3.199 1.00 0.00 C ATOM 1132 O GLN A 69 -9.128 -8.933 -2.816 1.00 0.00 O ATOM 1133 CB GLN A 69 -10.810 -10.325 -1.183 1.00 0.00 C ATOM 1134 CG GLN A 69 -9.795 -10.128 -0.072 1.00 0.00 C ATOM 1135 CD GLN A 69 -10.439 -9.656 1.215 1.00 0.00 C ATOM 1136 OE1 GLN A 69 -11.103 -8.619 1.245 1.00 0.00 O ATOM 1137 NE2 GLN A 69 -10.248 -10.417 2.286 1.00 0.00 N ATOM 0 H GLN A 69 -8.991 -12.161 -1.185 1.00 0.00 H new ATOM 0 HA GLN A 69 -11.076 -11.297 -3.073 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.207 -9.353 -1.475 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.646 -10.909 -0.798 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -9.271 -11.066 0.109 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -9.047 -9.401 -0.390 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -9.690 -11.268 2.214 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.659 -10.151 3.181 1.00 0.00 H new ATOM 1146 N GLU A 70 -8.762 -10.595 -4.294 1.00 0.00 N ATOM 1147 CA GLU A 70 -7.857 -9.809 -5.129 1.00 0.00 C ATOM 1148 C GLU A 70 -8.568 -8.641 -5.807 1.00 0.00 C ATOM 1149 O GLU A 70 -7.982 -7.962 -6.649 1.00 0.00 O ATOM 1150 CB GLU A 70 -7.191 -10.688 -6.184 1.00 0.00 C ATOM 1151 CG GLU A 70 -6.135 -11.613 -5.610 1.00 0.00 C ATOM 1152 CD GLU A 70 -6.716 -12.868 -4.984 1.00 0.00 C ATOM 1153 OE1 GLU A 70 -7.942 -13.074 -5.092 1.00 0.00 O ATOM 1154 OE2 GLU A 70 -5.939 -13.651 -4.399 1.00 0.00 O ATOM 0 H GLU A 70 -8.916 -11.548 -4.623 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.095 -9.399 -4.466 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.954 -11.284 -6.685 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.734 -10.052 -6.942 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.441 -11.897 -6.401 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.558 -11.074 -4.859 1.00 0.00 H new ATOM 1161 N ASP A 71 -9.820 -8.391 -5.431 1.00 0.00 N ATOM 1162 CA ASP A 71 -10.572 -7.283 -6.006 1.00 0.00 C ATOM 1163 C ASP A 71 -9.864 -5.976 -5.681 1.00 0.00 C ATOM 1164 O ASP A 71 -9.678 -5.119 -6.543 1.00 0.00 O ATOM 1165 CB ASP A 71 -12.002 -7.267 -5.470 1.00 0.00 C ATOM 1166 CG ASP A 71 -12.835 -6.142 -6.054 1.00 0.00 C ATOM 1167 OD1 ASP A 71 -12.488 -4.963 -5.826 1.00 0.00 O ATOM 1168 OD2 ASP A 71 -13.833 -6.439 -6.743 1.00 0.00 O ATOM 0 H ASP A 71 -10.330 -8.937 -4.736 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.623 -7.406 -7.088 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.480 -8.221 -5.694 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.977 -7.169 -4.385 1.00 0.00 H new ATOM 1173 N LEU A 72 -9.444 -5.858 -4.428 1.00 0.00 N ATOM 1174 CA LEU A 72 -8.719 -4.687 -3.961 1.00 0.00 C ATOM 1175 C LEU A 72 -7.328 -4.670 -4.575 1.00 0.00 C ATOM 1176 O LEU A 72 -6.804 -3.620 -4.950 1.00 0.00 O ATOM 1177 CB LEU A 72 -8.609 -4.724 -2.437 1.00 0.00 C ATOM 1178 CG LEU A 72 -9.942 -4.688 -1.693 1.00 0.00 C ATOM 1179 CD1 LEU A 72 -9.769 -5.174 -0.261 1.00 0.00 C ATOM 1180 CD2 LEU A 72 -10.515 -3.281 -1.715 1.00 0.00 C ATOM 0 H LEU A 72 -9.596 -6.568 -3.712 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.256 -3.787 -4.260 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.073 -5.628 -2.148 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.005 -3.877 -2.111 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.641 -5.356 -2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.730 -5.141 0.253 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.396 -6.198 -0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.058 -4.531 0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.466 -3.267 -1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.818 -2.597 -1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.673 -2.969 -2.747 1.00 0.00 H new ATOM 1192 N LEU A 73 -6.744 -5.859 -4.675 1.00 0.00 N ATOM 1193 CA LEU A 73 -5.427 -6.039 -5.231 1.00 0.00 C ATOM 1194 C LEU A 73 -5.342 -5.448 -6.631 1.00 0.00 C ATOM 1195 O LEU A 73 -4.339 -4.840 -7.002 1.00 0.00 O ATOM 1196 CB LEU A 73 -5.132 -7.530 -5.268 1.00 0.00 C ATOM 1197 CG LEU A 73 -3.872 -7.972 -4.528 1.00 0.00 C ATOM 1198 CD1 LEU A 73 -2.668 -7.155 -4.967 1.00 0.00 C ATOM 1199 CD2 LEU A 73 -4.088 -7.848 -3.032 1.00 0.00 C ATOM 0 H LEU A 73 -7.183 -6.727 -4.367 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.692 -5.522 -4.614 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.985 -8.061 -4.846 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.047 -7.840 -6.310 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.671 -9.015 -4.772 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.784 -7.490 -4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.509 -7.287 -6.037 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.846 -6.101 -4.754 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.187 -8.164 -2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.309 -6.811 -2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.924 -8.480 -2.731 1.00 0.00 H new ATOM 1211 N SER A 74 -6.406 -5.636 -7.400 1.00 0.00 N ATOM 1212 CA SER A 74 -6.471 -5.125 -8.760 1.00 0.00 C ATOM 1213 C SER A 74 -6.235 -3.621 -8.777 1.00 0.00 C ATOM 1214 O SER A 74 -5.547 -3.098 -9.654 1.00 0.00 O ATOM 1215 CB SER A 74 -7.830 -5.453 -9.372 1.00 0.00 C ATOM 1216 OG SER A 74 -7.890 -5.049 -10.730 1.00 0.00 O ATOM 0 H SER A 74 -7.240 -6.142 -7.102 1.00 0.00 H new ATOM 0 HA SER A 74 -5.690 -5.602 -9.352 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.016 -6.525 -9.300 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.617 -4.954 -8.806 1.00 0.00 H new ATOM 0 HG SER A 74 -8.770 -5.272 -11.099 1.00 0.00 H new ATOM 1222 N GLU A 75 -6.807 -2.929 -7.794 1.00 0.00 N ATOM 1223 CA GLU A 75 -6.652 -1.483 -7.689 1.00 0.00 C ATOM 1224 C GLU A 75 -5.215 -1.117 -7.333 1.00 0.00 C ATOM 1225 O GLU A 75 -4.633 -0.202 -7.916 1.00 0.00 O ATOM 1226 CB GLU A 75 -7.610 -0.926 -6.645 1.00 0.00 C ATOM 1227 CG GLU A 75 -9.067 -1.086 -7.032 1.00 0.00 C ATOM 1228 CD GLU A 75 -9.392 -0.439 -8.364 1.00 0.00 C ATOM 1229 OE1 GLU A 75 -9.206 0.790 -8.488 1.00 0.00 O ATOM 1230 OE2 GLU A 75 -9.834 -1.161 -9.281 1.00 0.00 O ATOM 0 H GLU A 75 -7.380 -3.347 -7.061 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.888 -1.042 -8.657 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.435 -1.429 -5.694 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.395 0.131 -6.490 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.312 -2.147 -7.079 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.695 -0.647 -6.257 1.00 0.00 H new ATOM 1237 N PHE A 76 -4.653 -1.845 -6.373 1.00 0.00 N ATOM 1238 CA PHE A 76 -3.283 -1.614 -5.927 1.00 0.00 C ATOM 1239 C PHE A 76 -2.308 -1.723 -7.094 1.00 0.00 C ATOM 1240 O PHE A 76 -1.381 -0.924 -7.220 1.00 0.00 O ATOM 1241 CB PHE A 76 -2.917 -2.626 -4.840 1.00 0.00 C ATOM 1242 CG PHE A 76 -1.557 -2.418 -4.230 1.00 0.00 C ATOM 1243 CD1 PHE A 76 -1.123 -1.151 -3.872 1.00 0.00 C ATOM 1244 CD2 PHE A 76 -0.718 -3.498 -4.005 1.00 0.00 C ATOM 1245 CE1 PHE A 76 0.122 -0.965 -3.303 1.00 0.00 C ATOM 1246 CE2 PHE A 76 0.530 -3.317 -3.438 1.00 0.00 C ATOM 1247 CZ PHE A 76 0.949 -2.049 -3.086 1.00 0.00 C ATOM 0 H PHE A 76 -5.129 -2.605 -5.886 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.215 -0.605 -5.519 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.667 -2.580 -4.050 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.962 -3.629 -5.264 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.766 -0.299 -4.040 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.043 -4.492 -4.276 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.448 0.027 -3.028 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.176 -4.166 -3.271 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.923 -1.906 -2.641 1.00 0.00 H new ATOM 1257 N GLY A 77 -2.530 -2.722 -7.942 1.00 0.00 N ATOM 1258 CA GLY A 77 -1.670 -2.931 -9.092 1.00 0.00 C ATOM 1259 C GLY A 77 -1.640 -1.736 -10.028 1.00 0.00 C ATOM 1260 O GLY A 77 -0.584 -1.374 -10.548 1.00 0.00 O ATOM 0 H GLY A 77 -3.293 -3.393 -7.853 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.657 -3.144 -8.749 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.012 -3.808 -9.641 1.00 0.00 H new ATOM 1423 N ILE B 2 2.882 4.751 -4.566 1.00 0.00 N ATOM 1424 CA ILE B 2 2.918 4.277 -3.187 1.00 0.00 C ATOM 1425 C ILE B 2 2.967 5.448 -2.213 1.00 0.00 C ATOM 1426 O ILE B 2 2.372 5.399 -1.138 1.00 0.00 O ATOM 1427 CB ILE B 2 4.132 3.356 -2.942 1.00 0.00 C ATOM 1428 CG1 ILE B 2 4.055 2.120 -3.843 1.00 0.00 C ATOM 1429 CG2 ILE B 2 4.212 2.950 -1.476 1.00 0.00 C ATOM 1430 CD1 ILE B 2 2.832 1.259 -3.593 1.00 0.00 C ATOM 0 HA ILE B 2 2.005 3.706 -3.017 1.00 0.00 H new ATOM 0 HB ILE B 2 5.039 3.907 -3.191 1.00 0.00 H new ATOM 0 HG12 ILE B 2 4.056 2.440 -4.885 1.00 0.00 H new ATOM 0 HG13 ILE B 2 4.950 1.516 -3.694 1.00 0.00 H new ATOM 0 HG21 ILE B 2 5.075 2.301 -1.325 1.00 0.00 H new ATOM 0 HG22 ILE B 2 4.315 3.841 -0.857 1.00 0.00 H new ATOM 0 HG23 ILE B 2 3.303 2.417 -1.196 1.00 0.00 H new ATOM 0 HD11 ILE B 2 2.846 0.403 -4.267 1.00 0.00 H new ATOM 0 HD12 ILE B 2 2.839 0.908 -2.561 1.00 0.00 H new ATOM 0 HD13 ILE B 2 1.931 1.846 -3.771 1.00 0.00 H new ATOM 1442 N GLN B 3 3.672 6.503 -2.602 1.00 0.00 N ATOM 1443 CA GLN B 3 3.789 7.693 -1.773 1.00 0.00 C ATOM 1444 C GLN B 3 2.411 8.264 -1.458 1.00 0.00 C ATOM 1445 O GLN B 3 2.120 8.617 -0.317 1.00 0.00 O ATOM 1446 CB GLN B 3 4.660 8.736 -2.486 1.00 0.00 C ATOM 1447 CG GLN B 3 4.417 10.172 -2.042 1.00 0.00 C ATOM 1448 CD GLN B 3 4.524 10.359 -0.542 1.00 0.00 C ATOM 1449 OE1 GLN B 3 5.555 10.061 0.062 1.00 0.00 O ATOM 1450 NE2 GLN B 3 3.454 10.860 0.063 1.00 0.00 N ATOM 0 H GLN B 3 4.172 6.557 -3.489 1.00 0.00 H new ATOM 0 HA GLN B 3 4.264 7.424 -0.830 1.00 0.00 H new ATOM 0 HB2 GLN B 3 5.709 8.490 -2.319 1.00 0.00 H new ATOM 0 HB3 GLN B 3 4.483 8.666 -3.559 1.00 0.00 H new ATOM 0 HG2 GLN B 3 5.137 10.825 -2.535 1.00 0.00 H new ATOM 0 HG3 GLN B 3 3.426 10.484 -2.371 1.00 0.00 H new ATOM 0 HE21 GLN B 3 2.622 11.092 -0.480 1.00 0.00 H new ATOM 0 HE22 GLN B 3 3.463 11.013 1.071 1.00 0.00 H new ATOM 1459 N MET B 4 1.568 8.350 -2.481 1.00 0.00 N ATOM 1460 CA MET B 4 0.220 8.881 -2.321 1.00 0.00 C ATOM 1461 C MET B 4 -0.682 7.913 -1.558 1.00 0.00 C ATOM 1462 O MET B 4 -1.443 8.325 -0.683 1.00 0.00 O ATOM 1463 CB MET B 4 -0.382 9.198 -3.689 1.00 0.00 C ATOM 1464 CG MET B 4 0.448 10.180 -4.497 1.00 0.00 C ATOM 1465 SD MET B 4 -0.322 10.620 -6.067 1.00 0.00 S ATOM 1466 CE MET B 4 -1.826 11.410 -5.499 1.00 0.00 C ATOM 0 H MET B 4 1.795 8.058 -3.432 1.00 0.00 H new ATOM 0 HA MET B 4 0.289 9.797 -1.735 1.00 0.00 H new ATOM 0 HB2 MET B 4 -0.489 8.272 -4.254 1.00 0.00 H new ATOM 0 HB3 MET B 4 -1.383 9.606 -3.552 1.00 0.00 H new ATOM 0 HG2 MET B 4 0.607 11.084 -3.909 1.00 0.00 H new ATOM 0 HG3 MET B 4 1.430 9.748 -4.688 1.00 0.00 H new ATOM 0 HE1 MET B 4 -2.200 12.079 -6.274 1.00 0.00 H new ATOM 0 HE2 MET B 4 -2.577 10.650 -5.282 1.00 0.00 H new ATOM 0 HE3 MET B 4 -1.617 11.982 -4.595 1.00 0.00 H new ATOM 1476 N LEU B 5 -0.603 6.627 -1.897 1.00 0.00 N ATOM 1477 CA LEU B 5 -1.426 5.613 -1.240 1.00 0.00 C ATOM 1478 C LEU B 5 -1.124 5.555 0.253 1.00 0.00 C ATOM 1479 O LEU B 5 -2.030 5.627 1.083 1.00 0.00 O ATOM 1480 CB LEU B 5 -1.192 4.236 -1.872 1.00 0.00 C ATOM 1481 CG LEU B 5 -2.226 3.175 -1.490 1.00 0.00 C ATOM 1482 CD1 LEU B 5 -3.626 3.658 -1.831 1.00 0.00 C ATOM 1483 CD2 LEU B 5 -1.936 1.862 -2.201 1.00 0.00 C ATOM 0 H LEU B 5 0.019 6.264 -2.619 1.00 0.00 H new ATOM 0 HA LEU B 5 -2.471 5.891 -1.375 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.186 4.345 -2.957 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -0.203 3.881 -1.582 1.00 0.00 H new ATOM 0 HG LEU B 5 -2.164 3.006 -0.415 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -4.352 2.894 -1.554 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -3.838 4.576 -1.282 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -3.693 3.852 -2.902 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -2.683 1.121 -1.916 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -1.972 2.017 -3.279 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -0.945 1.506 -1.918 1.00 0.00 H new ATOM 1495 N LEU B 6 0.156 5.437 0.584 1.00 0.00 N ATOM 1496 CA LEU B 6 0.586 5.384 1.973 1.00 0.00 C ATOM 1497 C LEU B 6 0.187 6.666 2.694 1.00 0.00 C ATOM 1498 O LEU B 6 -0.229 6.638 3.853 1.00 0.00 O ATOM 1499 CB LEU B 6 2.101 5.170 2.047 1.00 0.00 C ATOM 1500 CG LEU B 6 2.713 5.222 3.450 1.00 0.00 C ATOM 1501 CD1 LEU B 6 1.998 4.261 4.388 1.00 0.00 C ATOM 1502 CD2 LEU B 6 4.198 4.896 3.387 1.00 0.00 C ATOM 0 H LEU B 6 0.916 5.376 -0.094 1.00 0.00 H new ATOM 0 HA LEU B 6 0.095 4.545 2.466 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.334 4.201 1.605 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.587 5.927 1.431 1.00 0.00 H new ATOM 0 HG LEU B 6 2.591 6.232 3.841 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.450 4.315 5.378 1.00 0.00 H new ATOM 0 HD12 LEU B 6 0.945 4.533 4.454 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.086 3.245 4.004 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.622 4.936 4.390 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.334 3.896 2.975 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.703 5.622 2.750 1.00 0.00 H new ATOM 1514 N GLU B 7 0.301 7.785 1.986 1.00 0.00 N ATOM 1515 CA GLU B 7 -0.062 9.085 2.537 1.00 0.00 C ATOM 1516 C GLU B 7 -1.555 9.135 2.850 1.00 0.00 C ATOM 1517 O GLU B 7 -1.975 9.754 3.827 1.00 0.00 O ATOM 1518 CB GLU B 7 0.307 10.195 1.548 1.00 0.00 C ATOM 1519 CG GLU B 7 -0.051 11.594 2.027 1.00 0.00 C ATOM 1520 CD GLU B 7 0.710 12.005 3.274 1.00 0.00 C ATOM 1521 OE1 GLU B 7 0.537 11.348 4.321 1.00 0.00 O ATOM 1522 OE2 GLU B 7 1.480 12.986 3.202 1.00 0.00 O ATOM 0 H GLU B 7 0.643 7.817 1.026 1.00 0.00 H new ATOM 0 HA GLU B 7 0.491 9.237 3.464 1.00 0.00 H new ATOM 0 HB2 GLU B 7 1.378 10.152 1.352 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -0.198 10.006 0.601 1.00 0.00 H new ATOM 0 HG2 GLU B 7 0.154 12.309 1.230 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -1.121 11.641 2.229 1.00 0.00 H new ATOM 1529 N ALA B 8 -2.348 8.476 2.007 1.00 0.00 N ATOM 1530 CA ALA B 8 -3.798 8.434 2.178 1.00 0.00 C ATOM 1531 C ALA B 8 -4.178 7.938 3.569 1.00 0.00 C ATOM 1532 O ALA B 8 -5.119 8.445 4.182 1.00 0.00 O ATOM 1533 CB ALA B 8 -4.426 7.547 1.113 1.00 0.00 C ATOM 0 H ALA B 8 -2.008 7.961 1.195 1.00 0.00 H new ATOM 0 HA ALA B 8 -4.180 9.449 2.068 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -5.507 7.523 1.250 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -4.194 7.945 0.125 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -4.027 6.536 1.200 1.00 0.00 H new ATOM 1539 N ALA B 9 -3.444 6.944 4.057 1.00 0.00 N ATOM 1540 CA ALA B 9 -3.701 6.373 5.374 1.00 0.00 C ATOM 1541 C ALA B 9 -3.697 7.451 6.453 1.00 0.00 C ATOM 1542 O ALA B 9 -4.567 7.474 7.324 1.00 0.00 O ATOM 1543 CB ALA B 9 -2.668 5.304 5.692 1.00 0.00 C ATOM 0 H ALA B 9 -2.664 6.516 3.558 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.691 5.917 5.358 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -2.870 4.885 6.678 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.720 4.513 4.944 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -1.672 5.746 5.683 1.00 0.00 H new ATOM 1549 N ASP B 10 -2.713 8.343 6.388 1.00 0.00 N ATOM 1550 CA ASP B 10 -2.594 9.427 7.356 1.00 0.00 C ATOM 1551 C ASP B 10 -3.793 10.368 7.271 1.00 0.00 C ATOM 1552 O ASP B 10 -4.292 10.850 8.288 1.00 0.00 O ATOM 1553 CB ASP B 10 -1.301 10.210 7.114 1.00 0.00 C ATOM 1554 CG ASP B 10 -1.064 11.285 8.159 1.00 0.00 C ATOM 1555 OD1 ASP B 10 -1.890 12.216 8.254 1.00 0.00 O ATOM 1556 OD2 ASP B 10 -0.051 11.192 8.884 1.00 0.00 O ATOM 0 H ASP B 10 -1.985 8.336 5.673 1.00 0.00 H new ATOM 0 HA ASP B 10 -2.569 8.990 8.354 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.458 9.519 7.111 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -1.339 10.671 6.127 1.00 0.00 H new ATOM 1561 N TYR B 11 -4.243 10.627 6.048 1.00 0.00 N ATOM 1562 CA TYR B 11 -5.380 11.515 5.812 1.00 0.00 C ATOM 1563 C TYR B 11 -6.629 11.031 6.542 1.00 0.00 C ATOM 1564 O TYR B 11 -7.244 11.780 7.302 1.00 0.00 O ATOM 1565 CB TYR B 11 -5.665 11.604 4.312 1.00 0.00 C ATOM 1566 CG TYR B 11 -6.894 12.416 3.971 1.00 0.00 C ATOM 1567 CD1 TYR B 11 -6.995 13.752 4.337 1.00 0.00 C ATOM 1568 CD2 TYR B 11 -7.954 11.842 3.281 1.00 0.00 C ATOM 1569 CE1 TYR B 11 -8.117 14.494 4.023 1.00 0.00 C ATOM 1570 CE2 TYR B 11 -9.079 12.576 2.963 1.00 0.00 C ATOM 1571 CZ TYR B 11 -9.156 13.902 3.336 1.00 0.00 C ATOM 1572 OH TYR B 11 -10.274 14.639 3.020 1.00 0.00 O ATOM 0 H TYR B 11 -3.836 10.233 5.199 1.00 0.00 H new ATOM 0 HA TYR B 11 -5.121 12.500 6.200 1.00 0.00 H new ATOM 0 HB2 TYR B 11 -4.801 12.043 3.813 1.00 0.00 H new ATOM 0 HB3 TYR B 11 -5.785 10.596 3.914 1.00 0.00 H new ATOM 0 HD1 TYR B 11 -6.183 14.218 4.876 1.00 0.00 H new ATOM 0 HD2 TYR B 11 -7.897 10.804 2.988 1.00 0.00 H new ATOM 0 HE1 TYR B 11 -8.180 15.532 4.314 1.00 0.00 H new ATOM 0 HE2 TYR B 11 -9.894 12.115 2.425 1.00 0.00 H new ATOM 0 HH TYR B 11 -10.912 14.075 2.535 1.00 0.00 H new ATOM 1582 N LEU B 12 -7.003 9.781 6.297 1.00 0.00 N ATOM 1583 CA LEU B 12 -8.183 9.199 6.923 1.00 0.00 C ATOM 1584 C LEU B 12 -8.024 9.131 8.438 1.00 0.00 C ATOM 1585 O LEU B 12 -8.924 9.518 9.183 1.00 0.00 O ATOM 1586 CB LEU B 12 -8.445 7.802 6.357 1.00 0.00 C ATOM 1587 CG LEU B 12 -8.769 7.758 4.861 1.00 0.00 C ATOM 1588 CD1 LEU B 12 -8.890 6.318 4.386 1.00 0.00 C ATOM 1589 CD2 LEU B 12 -10.052 8.522 4.569 1.00 0.00 C ATOM 0 H LEU B 12 -6.505 9.151 5.668 1.00 0.00 H new ATOM 0 HA LEU B 12 -9.036 9.840 6.700 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -7.568 7.182 6.541 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -9.273 7.354 6.906 1.00 0.00 H new ATOM 0 HG LEU B 12 -7.953 8.235 4.318 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -9.121 6.304 3.321 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -7.949 5.797 4.560 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -9.688 5.819 4.936 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -10.266 8.479 3.501 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -10.877 8.073 5.122 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -9.934 9.562 4.874 1.00 0.00 H new ATOM 1601 N GLU B 13 -6.875 8.638 8.889 1.00 0.00 N ATOM 1602 CA GLU B 13 -6.602 8.522 10.317 1.00 0.00 C ATOM 1603 C GLU B 13 -6.600 9.894 10.983 1.00 0.00 C ATOM 1604 O GLU B 13 -5.642 10.661 10.751 1.00 0.00 O ATOM 1605 CB GLU B 13 -5.258 7.826 10.550 1.00 0.00 C ATOM 1606 CG GLU B 13 -4.920 7.638 12.020 1.00 0.00 C ATOM 1607 CD GLU B 13 -3.579 6.960 12.227 1.00 0.00 C ATOM 1608 OE1 GLU B 13 -3.414 5.815 11.757 1.00 0.00 O ATOM 1609 OE2 GLU B 13 -2.693 7.575 12.859 1.00 0.00 O ATOM 1610 OXT GLU B 13 -7.557 10.191 11.729 1.00 0.00 O ATOM 0 H GLU B 13 -6.119 8.313 8.287 1.00 0.00 H new ATOM 0 HA GLU B 13 -7.394 7.921 10.764 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -5.273 6.852 10.061 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -4.469 8.409 10.075 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -4.912 8.609 12.515 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -5.701 7.044 12.496 1.00 0.00 H new