USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 395 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 35 SER OG : rot -33:sc= 0.488 USER MOD Set 1.2: A 36 SER OG : rot 83:sc= 0.352 USER MOD Single : A 9 SER OG : rot 180:sc= -0.614 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.16 K(o=-0.16,f=-1.9!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.0257 X(o=-0.026,f=-0.33) USER MOD Single : A 23 ASN : amide:sc= -0.0247 X(o=-0.025,f=0.38) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.212 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 41 ASN : amide:sc= -0.157 K(o=-0.16,f=-0.66) USER MOD Single : A 44 GLN : amide:sc= -0.406 K(o=-0.41,f=-4.4!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.152 X(o=-0.15,f=0) USER MOD Single : A 51 ASN : amide:sc= 0.0108 X(o=0.011,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -170:sc= 0.284 (180deg=0.26) USER MOD ----------------------------------------------------------------- ATOM 175 N SER A 9 -8.335 -7.123 3.144 1.00 0.00 N ATOM 176 CA SER A 9 -9.353 -8.033 2.637 1.00 0.00 C ATOM 177 C SER A 9 -9.155 -8.274 1.146 1.00 0.00 C ATOM 178 O SER A 9 -8.449 -7.524 0.478 1.00 0.00 O ATOM 179 CB SER A 9 -10.750 -7.465 2.894 1.00 0.00 C ATOM 180 OG SER A 9 -11.114 -6.531 1.893 1.00 0.00 O ATOM 0 HA SER A 9 -9.257 -8.983 3.162 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.477 -8.277 2.919 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.776 -6.983 3.871 1.00 0.00 H new ATOM 0 HG SER A 9 -12.011 -6.184 2.080 1.00 0.00 H new ATOM 186 N SER A 10 -9.778 -9.324 0.626 1.00 0.00 N ATOM 187 CA SER A 10 -9.663 -9.653 -0.790 1.00 0.00 C ATOM 188 C SER A 10 -10.024 -8.450 -1.661 1.00 0.00 C ATOM 189 O SER A 10 -9.321 -8.131 -2.619 1.00 0.00 O ATOM 190 CB SER A 10 -10.566 -10.838 -1.135 1.00 0.00 C ATOM 191 OG SER A 10 -10.735 -10.960 -2.536 1.00 0.00 O ATOM 0 H SER A 10 -10.367 -9.961 1.162 1.00 0.00 H new ATOM 0 HA SER A 10 -8.627 -9.925 -0.991 1.00 0.00 H new ATOM 0 HB2 SER A 10 -10.134 -11.756 -0.736 1.00 0.00 H new ATOM 0 HB3 SER A 10 -11.538 -10.709 -0.658 1.00 0.00 H new ATOM 0 HG SER A 10 -11.315 -11.726 -2.730 1.00 0.00 H new ATOM 197 N GLU A 11 -11.129 -7.794 -1.322 1.00 0.00 N ATOM 198 CA GLU A 11 -11.597 -6.632 -2.070 1.00 0.00 C ATOM 199 C GLU A 11 -10.647 -5.444 -1.923 1.00 0.00 C ATOM 200 O GLU A 11 -10.355 -4.750 -2.898 1.00 0.00 O ATOM 201 CB GLU A 11 -13.002 -6.237 -1.609 1.00 0.00 C ATOM 202 CG GLU A 11 -14.088 -6.572 -2.616 1.00 0.00 C ATOM 203 CD GLU A 11 -15.384 -7.002 -1.954 1.00 0.00 C ATOM 204 OE1 GLU A 11 -15.990 -6.174 -1.243 1.00 0.00 O ATOM 205 OE2 GLU A 11 -15.791 -8.167 -2.149 1.00 0.00 O ATOM 0 H GLU A 11 -11.720 -8.049 -0.530 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.625 -6.909 -3.124 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.222 -6.742 -0.668 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.022 -5.166 -1.408 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.277 -5.702 -3.245 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.737 -7.369 -3.272 1.00 0.00 H new ATOM 212 N GLN A 12 -10.175 -5.206 -0.703 1.00 0.00 N ATOM 213 CA GLN A 12 -9.270 -4.091 -0.447 1.00 0.00 C ATOM 214 C GLN A 12 -7.937 -4.308 -1.146 1.00 0.00 C ATOM 215 O GLN A 12 -7.463 -3.446 -1.886 1.00 0.00 O ATOM 216 CB GLN A 12 -9.050 -3.917 1.056 1.00 0.00 C ATOM 217 CG GLN A 12 -10.329 -3.659 1.835 1.00 0.00 C ATOM 218 CD GLN A 12 -10.153 -3.862 3.327 1.00 0.00 C ATOM 219 OE1 GLN A 12 -9.191 -4.490 3.771 1.00 0.00 O ATOM 220 NE2 GLN A 12 -11.084 -3.330 4.110 1.00 0.00 N ATOM 0 H GLN A 12 -10.402 -5.766 0.119 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.727 -3.185 -0.844 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.570 -4.813 1.450 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.362 -3.088 1.220 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.665 -2.639 1.648 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.112 -4.324 1.471 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.864 -2.817 3.699 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.019 -3.434 5.123 1.00 0.00 H new ATOM 229 N LEU A 13 -7.340 -5.468 -0.913 1.00 0.00 N ATOM 230 CA LEU A 13 -6.066 -5.801 -1.527 1.00 0.00 C ATOM 231 C LEU A 13 -6.195 -5.829 -3.043 1.00 0.00 C ATOM 232 O LEU A 13 -5.282 -5.430 -3.759 1.00 0.00 O ATOM 233 CB LEU A 13 -5.568 -7.159 -1.024 1.00 0.00 C ATOM 234 CG LEU A 13 -4.209 -7.145 -0.311 1.00 0.00 C ATOM 235 CD1 LEU A 13 -3.602 -8.540 -0.292 1.00 0.00 C ATOM 236 CD2 LEU A 13 -3.254 -6.162 -0.975 1.00 0.00 C ATOM 0 H LEU A 13 -7.718 -6.193 -0.303 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.344 -5.034 -1.249 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.312 -7.568 -0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.506 -7.840 -1.873 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.372 -6.820 0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.639 -8.511 0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.271 -9.221 0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.461 -8.889 -1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.299 -6.172 -0.450 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.100 -6.450 -2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.679 -5.159 -0.936 1.00 0.00 H new ATOM 248 N ALA A 14 -7.340 -6.302 -3.523 1.00 0.00 N ATOM 249 CA ALA A 14 -7.592 -6.379 -4.955 1.00 0.00 C ATOM 250 C ALA A 14 -7.535 -4.996 -5.588 1.00 0.00 C ATOM 251 O ALA A 14 -6.883 -4.794 -6.614 1.00 0.00 O ATOM 252 CB ALA A 14 -8.942 -7.029 -5.221 1.00 0.00 C ATOM 0 H ALA A 14 -8.107 -6.637 -2.941 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.814 -6.994 -5.407 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.116 -7.079 -6.296 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.949 -8.036 -4.805 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.729 -6.437 -4.753 1.00 0.00 H new ATOM 258 N ARG A 15 -8.216 -4.041 -4.964 1.00 0.00 N ATOM 259 CA ARG A 15 -8.237 -2.672 -5.464 1.00 0.00 C ATOM 260 C ARG A 15 -6.850 -2.046 -5.366 1.00 0.00 C ATOM 261 O ARG A 15 -6.377 -1.403 -6.305 1.00 0.00 O ATOM 262 CB ARG A 15 -9.248 -1.833 -4.680 1.00 0.00 C ATOM 263 CG ARG A 15 -10.690 -2.275 -4.876 1.00 0.00 C ATOM 264 CD ARG A 15 -11.135 -2.107 -6.320 1.00 0.00 C ATOM 265 NE ARG A 15 -11.167 -0.704 -6.725 1.00 0.00 N ATOM 266 CZ ARG A 15 -11.373 -0.296 -7.976 1.00 0.00 C ATOM 267 NH1 ARG A 15 -11.563 -1.182 -8.946 1.00 0.00 N ATOM 268 NH2 ARG A 15 -11.390 0.999 -8.256 1.00 0.00 N ATOM 0 H ARG A 15 -8.759 -4.189 -4.114 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.537 -2.694 -6.512 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.003 -1.882 -3.619 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.153 -0.790 -4.981 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.794 -3.319 -4.582 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -11.341 -1.693 -4.224 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.458 -2.657 -6.974 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -12.126 -2.543 -6.447 1.00 0.00 H new ATOM 0 HE ARG A 15 -11.023 0.006 -6.007 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.552 -2.180 -8.735 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -11.720 -0.865 -9.903 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.245 1.683 -7.514 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.548 1.312 -9.214 1.00 0.00 H new ATOM 282 N LEU A 16 -6.200 -2.245 -4.224 1.00 0.00 N ATOM 283 CA LEU A 16 -4.864 -1.709 -4.001 1.00 0.00 C ATOM 284 C LEU A 16 -3.870 -2.310 -4.989 1.00 0.00 C ATOM 285 O LEU A 16 -2.993 -1.615 -5.503 1.00 0.00 O ATOM 286 CB LEU A 16 -4.416 -1.989 -2.564 1.00 0.00 C ATOM 287 CG LEU A 16 -5.068 -1.103 -1.499 1.00 0.00 C ATOM 288 CD1 LEU A 16 -5.472 -1.929 -0.288 1.00 0.00 C ATOM 289 CD2 LEU A 16 -4.126 0.020 -1.091 1.00 0.00 C ATOM 0 H LEU A 16 -6.578 -2.774 -3.438 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.895 -0.631 -4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.631 -3.031 -2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.335 -1.865 -2.506 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.968 -0.660 -1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.933 -1.281 0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.184 -2.696 -0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.589 -2.403 0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.605 0.640 -0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.208 -0.405 -0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.889 0.630 -1.962 1.00 0.00 H new ATOM 301 N LYS A 17 -4.018 -3.604 -5.259 1.00 0.00 N ATOM 302 CA LYS A 17 -3.139 -4.297 -6.194 1.00 0.00 C ATOM 303 C LYS A 17 -3.283 -3.707 -7.591 1.00 0.00 C ATOM 304 O LYS A 17 -2.294 -3.480 -8.287 1.00 0.00 O ATOM 305 CB LYS A 17 -3.459 -5.794 -6.224 1.00 0.00 C ATOM 306 CG LYS A 17 -2.297 -6.672 -5.787 1.00 0.00 C ATOM 307 CD LYS A 17 -2.547 -8.134 -6.125 1.00 0.00 C ATOM 308 CE LYS A 17 -3.707 -8.703 -5.323 1.00 0.00 C ATOM 309 NZ LYS A 17 -4.834 -9.130 -6.200 1.00 0.00 N ATOM 0 H LYS A 17 -4.739 -4.193 -4.843 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.110 -4.166 -5.858 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.314 -5.988 -5.576 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.755 -6.074 -7.235 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.382 -6.336 -6.274 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.143 -6.567 -4.713 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.758 -8.231 -7.190 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.646 -8.714 -5.924 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.360 -9.554 -4.738 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.062 -7.953 -4.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.604 -9.512 -5.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.182 -8.312 -6.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.503 -9.864 -6.858 1.00 0.00 H new ATOM 323 N ARG A 18 -4.526 -3.459 -7.992 1.00 0.00 N ATOM 324 CA ARG A 18 -4.806 -2.890 -9.304 1.00 0.00 C ATOM 325 C ARG A 18 -4.139 -1.528 -9.447 1.00 0.00 C ATOM 326 O ARG A 18 -3.526 -1.230 -10.472 1.00 0.00 O ATOM 327 CB ARG A 18 -6.316 -2.765 -9.515 1.00 0.00 C ATOM 328 CG ARG A 18 -6.787 -3.288 -10.863 1.00 0.00 C ATOM 329 CD ARG A 18 -7.243 -2.157 -11.772 1.00 0.00 C ATOM 330 NE ARG A 18 -8.375 -2.550 -12.610 1.00 0.00 N ATOM 331 CZ ARG A 18 -8.307 -2.720 -13.931 1.00 0.00 C ATOM 332 NH1 ARG A 18 -7.161 -2.549 -14.579 1.00 0.00 N ATOM 333 NH2 ARG A 18 -9.394 -3.067 -14.606 1.00 0.00 N ATOM 0 H ARG A 18 -5.355 -3.643 -7.427 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.400 -3.556 -10.065 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.831 -3.309 -8.723 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.602 -1.717 -9.421 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.978 -3.839 -11.343 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.607 -3.991 -10.715 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.523 -1.295 -11.166 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.413 -1.845 -12.406 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.275 -2.704 -12.155 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.320 -2.285 -14.066 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.122 -2.682 -15.590 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.278 -3.203 -14.115 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.347 -3.198 -15.616 1.00 0.00 H new ATOM 347 N GLU A 19 -4.258 -0.707 -8.409 1.00 0.00 N ATOM 348 CA GLU A 19 -3.658 0.622 -8.418 1.00 0.00 C ATOM 349 C GLU A 19 -2.137 0.522 -8.453 1.00 0.00 C ATOM 350 O GLU A 19 -1.464 1.312 -9.120 1.00 0.00 O ATOM 351 CB GLU A 19 -4.103 1.415 -7.186 1.00 0.00 C ATOM 352 CG GLU A 19 -5.512 1.972 -7.298 1.00 0.00 C ATOM 353 CD GLU A 19 -5.587 3.195 -8.192 1.00 0.00 C ATOM 354 OE1 GLU A 19 -4.945 3.186 -9.264 1.00 0.00 O ATOM 355 OE2 GLU A 19 -6.287 4.160 -7.821 1.00 0.00 O ATOM 0 H GLU A 19 -4.763 -0.938 -7.553 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.994 1.144 -9.314 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.045 0.771 -6.309 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.408 2.238 -7.023 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.174 1.199 -7.689 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.877 2.230 -6.304 1.00 0.00 H new ATOM 362 N PHE A 20 -1.599 -0.458 -7.734 1.00 0.00 N ATOM 363 CA PHE A 20 -0.157 -0.667 -7.684 1.00 0.00 C ATOM 364 C PHE A 20 0.386 -1.019 -9.065 1.00 0.00 C ATOM 365 O PHE A 20 1.476 -0.590 -9.443 1.00 0.00 O ATOM 366 CB PHE A 20 0.187 -1.777 -6.690 1.00 0.00 C ATOM 367 CG PHE A 20 1.660 -2.047 -6.584 1.00 0.00 C ATOM 368 CD1 PHE A 20 2.268 -2.974 -7.414 1.00 0.00 C ATOM 369 CD2 PHE A 20 2.436 -1.371 -5.658 1.00 0.00 C ATOM 370 CE1 PHE A 20 3.624 -3.224 -7.321 1.00 0.00 C ATOM 371 CE2 PHE A 20 3.792 -1.615 -5.560 1.00 0.00 C ATOM 372 CZ PHE A 20 4.387 -2.543 -6.393 1.00 0.00 C ATOM 0 H PHE A 20 -2.140 -1.120 -7.178 1.00 0.00 H new ATOM 0 HA PHE A 20 0.309 0.261 -7.353 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.197 -1.506 -5.707 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.322 -2.693 -6.989 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.676 -3.508 -8.142 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.976 -0.644 -5.005 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.086 -3.951 -7.973 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.386 -1.081 -4.833 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.447 -2.735 -6.318 1.00 0.00 H new ATOM 382 N ASN A 21 -0.381 -1.803 -9.816 1.00 0.00 N ATOM 383 CA ASN A 21 0.024 -2.209 -11.156 1.00 0.00 C ATOM 384 C ASN A 21 0.162 -0.991 -12.063 1.00 0.00 C ATOM 385 O ASN A 21 0.951 -0.993 -13.008 1.00 0.00 O ATOM 386 CB ASN A 21 -0.991 -3.193 -11.743 1.00 0.00 C ATOM 387 CG ASN A 21 -0.361 -4.521 -12.113 1.00 0.00 C ATOM 388 OD1 ASN A 21 0.755 -4.571 -12.632 1.00 0.00 O ATOM 389 ND2 ASN A 21 -1.075 -5.609 -11.849 1.00 0.00 N ATOM 0 H ASN A 21 -1.286 -2.169 -9.519 1.00 0.00 H new ATOM 0 HA ASN A 21 0.993 -2.704 -11.089 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.789 -3.362 -11.020 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.450 -2.753 -12.628 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.703 -6.531 -12.077 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.996 -5.523 -11.418 1.00 0.00 H new ATOM 396 N GLU A 22 -0.610 0.049 -11.765 1.00 0.00 N ATOM 397 CA GLU A 22 -0.576 1.279 -12.547 1.00 0.00 C ATOM 398 C GLU A 22 0.571 2.174 -12.093 1.00 0.00 C ATOM 399 O GLU A 22 1.178 2.880 -12.899 1.00 0.00 O ATOM 400 CB GLU A 22 -1.903 2.027 -12.416 1.00 0.00 C ATOM 401 CG GLU A 22 -3.123 1.132 -12.552 1.00 0.00 C ATOM 402 CD GLU A 22 -4.337 1.878 -13.071 1.00 0.00 C ATOM 403 OE1 GLU A 22 -4.344 3.125 -13.000 1.00 0.00 O ATOM 404 OE2 GLU A 22 -5.281 1.214 -13.549 1.00 0.00 O ATOM 0 H GLU A 22 -1.268 0.064 -10.986 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.418 1.014 -13.593 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.935 2.526 -11.447 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.948 2.806 -13.177 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.891 0.308 -13.227 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.358 0.693 -11.582 1.00 0.00 H new ATOM 411 N ASN A 23 0.863 2.143 -10.795 1.00 0.00 N ATOM 412 CA ASN A 23 1.938 2.955 -10.235 1.00 0.00 C ATOM 413 C ASN A 23 2.452 2.359 -8.927 1.00 0.00 C ATOM 414 O ASN A 23 1.683 2.117 -7.998 1.00 0.00 O ATOM 415 CB ASN A 23 1.454 4.388 -9.999 1.00 0.00 C ATOM 416 CG ASN A 23 0.090 4.438 -9.339 1.00 0.00 C ATOM 417 OD1 ASN A 23 -0.029 4.286 -8.123 1.00 0.00 O ATOM 418 ND2 ASN A 23 -0.947 4.649 -10.140 1.00 0.00 N ATOM 0 H ASN A 23 0.371 1.565 -10.113 1.00 0.00 H new ATOM 0 HA ASN A 23 2.758 2.967 -10.953 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.176 4.914 -9.374 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.413 4.916 -10.952 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.890 4.691 -9.753 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.801 4.770 -11.142 1.00 0.00 H new ATOM 425 N ARG A 24 3.759 2.126 -8.866 1.00 0.00 N ATOM 426 CA ARG A 24 4.386 1.557 -7.677 1.00 0.00 C ATOM 427 C ARG A 24 4.462 2.577 -6.539 1.00 0.00 C ATOM 428 O ARG A 24 4.808 2.231 -5.409 1.00 0.00 O ATOM 429 CB ARG A 24 5.792 1.053 -8.017 1.00 0.00 C ATOM 430 CG ARG A 24 5.989 -0.430 -7.751 1.00 0.00 C ATOM 431 CD ARG A 24 7.315 -0.928 -8.305 1.00 0.00 C ATOM 432 NE ARG A 24 7.133 -1.775 -9.483 1.00 0.00 N ATOM 433 CZ ARG A 24 7.187 -1.330 -10.738 1.00 0.00 C ATOM 434 NH1 ARG A 24 7.412 -0.045 -10.990 1.00 0.00 N ATOM 435 NH2 ARG A 24 7.014 -2.174 -11.745 1.00 0.00 N ATOM 0 H ARG A 24 4.407 2.323 -9.629 1.00 0.00 H new ATOM 0 HA ARG A 24 3.769 0.723 -7.341 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.997 1.255 -9.068 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.521 1.618 -7.436 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.950 -0.616 -6.678 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.172 -0.993 -8.202 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.942 -0.075 -8.565 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.843 -1.489 -7.533 1.00 0.00 H new ATOM 0 HE ARG A 24 6.954 -2.768 -9.335 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.545 0.610 -10.220 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.452 0.286 -11.954 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.840 -3.162 -11.559 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.055 -1.836 -12.706 1.00 0.00 H new ATOM 449 N TYR A 25 4.144 3.834 -6.840 1.00 0.00 N ATOM 450 CA TYR A 25 4.184 4.893 -5.840 1.00 0.00 C ATOM 451 C TYR A 25 2.782 5.400 -5.526 1.00 0.00 C ATOM 452 O TYR A 25 1.793 4.891 -6.053 1.00 0.00 O ATOM 453 CB TYR A 25 5.056 6.051 -6.330 1.00 0.00 C ATOM 454 CG TYR A 25 6.540 5.810 -6.167 1.00 0.00 C ATOM 455 CD1 TYR A 25 7.235 5.007 -7.061 1.00 0.00 C ATOM 456 CD2 TYR A 25 7.246 6.391 -5.121 1.00 0.00 C ATOM 457 CE1 TYR A 25 8.592 4.787 -6.917 1.00 0.00 C ATOM 458 CE2 TYR A 25 8.603 6.177 -4.969 1.00 0.00 C ATOM 459 CZ TYR A 25 9.271 5.375 -5.869 1.00 0.00 C ATOM 460 OH TYR A 25 10.623 5.159 -5.724 1.00 0.00 O ATOM 0 H TYR A 25 3.856 4.142 -7.769 1.00 0.00 H new ATOM 0 HA TYR A 25 4.614 4.480 -4.928 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.841 6.235 -7.383 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.782 6.955 -5.786 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.707 4.547 -7.883 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.726 7.021 -4.415 1.00 0.00 H new ATOM 0 HE1 TYR A 25 9.118 4.159 -7.620 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.137 6.636 -4.150 1.00 0.00 H new ATOM 0 HH TYR A 25 10.949 5.645 -4.938 1.00 0.00 H new ATOM 470 N LEU A 26 2.705 6.411 -4.668 1.00 0.00 N ATOM 471 CA LEU A 26 1.426 6.996 -4.286 1.00 0.00 C ATOM 472 C LEU A 26 1.538 8.513 -4.181 1.00 0.00 C ATOM 473 O LEU A 26 2.582 9.095 -4.479 1.00 0.00 O ATOM 474 CB LEU A 26 0.954 6.430 -2.941 1.00 0.00 C ATOM 475 CG LEU A 26 0.010 5.225 -3.006 1.00 0.00 C ATOM 476 CD1 LEU A 26 -0.558 4.943 -1.625 1.00 0.00 C ATOM 477 CD2 LEU A 26 -1.129 5.457 -3.988 1.00 0.00 C ATOM 0 H LEU A 26 3.515 6.843 -4.223 1.00 0.00 H new ATOM 0 HA LEU A 26 0.700 6.743 -5.058 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.833 6.146 -2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.454 7.227 -2.391 1.00 0.00 H new ATOM 0 HG LEU A 26 0.586 4.368 -3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.229 4.085 -1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.257 4.726 -0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.110 5.815 -1.274 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.777 4.581 -4.007 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.705 6.328 -3.677 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.721 5.628 -4.984 1.00 0.00 H new ATOM 489 N THR A 27 0.456 9.140 -3.743 1.00 0.00 N ATOM 490 CA THR A 27 0.413 10.585 -3.576 1.00 0.00 C ATOM 491 C THR A 27 -0.529 10.943 -2.437 1.00 0.00 C ATOM 492 O THR A 27 -1.327 10.114 -2.007 1.00 0.00 O ATOM 493 CB THR A 27 -0.049 11.264 -4.867 1.00 0.00 C ATOM 494 OG1 THR A 27 -1.458 11.158 -5.011 1.00 0.00 O ATOM 495 CG2 THR A 27 0.600 10.690 -6.111 1.00 0.00 C ATOM 0 H THR A 27 -0.412 8.665 -3.495 1.00 0.00 H new ATOM 0 HA THR A 27 1.417 10.938 -3.340 1.00 0.00 H new ATOM 0 HB THR A 27 0.256 12.307 -4.776 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.736 11.599 -5.841 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.229 11.216 -6.991 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.681 10.810 -6.046 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.357 9.631 -6.192 1.00 0.00 H new ATOM 503 N GLU A 28 -0.443 12.173 -1.949 1.00 0.00 N ATOM 504 CA GLU A 28 -1.308 12.609 -0.860 1.00 0.00 C ATOM 505 C GLU A 28 -2.773 12.420 -1.237 1.00 0.00 C ATOM 506 O GLU A 28 -3.553 11.846 -0.477 1.00 0.00 O ATOM 507 CB GLU A 28 -1.037 14.075 -0.514 1.00 0.00 C ATOM 508 CG GLU A 28 -0.041 14.260 0.618 1.00 0.00 C ATOM 509 CD GLU A 28 -0.698 14.224 1.984 1.00 0.00 C ATOM 510 OE1 GLU A 28 -1.884 14.604 2.083 1.00 0.00 O ATOM 511 OE2 GLU A 28 -0.028 13.814 2.955 1.00 0.00 O ATOM 0 H GLU A 28 0.210 12.881 -2.285 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.091 11.999 0.017 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.664 14.586 -1.402 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.977 14.555 -0.241 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.716 13.478 0.562 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.474 15.212 0.492 1.00 0.00 H new ATOM 518 N ARG A 29 -3.133 12.903 -2.420 1.00 0.00 N ATOM 519 CA ARG A 29 -4.500 12.788 -2.912 1.00 0.00 C ATOM 520 C ARG A 29 -4.936 11.328 -3.004 1.00 0.00 C ATOM 521 O ARG A 29 -6.053 10.983 -2.623 1.00 0.00 O ATOM 522 CB ARG A 29 -4.627 13.453 -4.284 1.00 0.00 C ATOM 523 CG ARG A 29 -5.108 14.893 -4.219 1.00 0.00 C ATOM 524 CD ARG A 29 -4.026 15.820 -3.688 1.00 0.00 C ATOM 525 NE ARG A 29 -4.520 16.674 -2.610 1.00 0.00 N ATOM 526 CZ ARG A 29 -4.035 17.884 -2.338 1.00 0.00 C ATOM 527 NH1 ARG A 29 -3.036 18.388 -3.053 1.00 0.00 N ATOM 528 NH2 ARG A 29 -4.550 18.592 -1.343 1.00 0.00 N ATOM 0 H ARG A 29 -2.495 13.379 -3.058 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.153 13.296 -2.202 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.659 13.424 -4.784 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.319 12.875 -4.896 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.413 15.221 -5.213 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.988 14.955 -3.579 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.186 15.227 -3.325 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.650 16.442 -4.500 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.282 16.322 -2.031 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.633 17.847 -3.818 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.671 19.316 -2.837 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.316 18.210 -0.788 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.181 19.519 -1.132 1.00 0.00 H new ATOM 542 N ARG A 30 -4.054 10.477 -3.522 1.00 0.00 N ATOM 543 CA ARG A 30 -4.359 9.059 -3.675 1.00 0.00 C ATOM 544 C ARG A 30 -4.481 8.366 -2.325 1.00 0.00 C ATOM 545 O ARG A 30 -5.400 7.580 -2.104 1.00 0.00 O ATOM 546 CB ARG A 30 -3.278 8.376 -4.512 1.00 0.00 C ATOM 547 CG ARG A 30 -3.796 7.225 -5.360 1.00 0.00 C ATOM 548 CD ARG A 30 -2.882 6.952 -6.544 1.00 0.00 C ATOM 549 NE ARG A 30 -3.438 7.460 -7.795 1.00 0.00 N ATOM 550 CZ ARG A 30 -2.705 7.774 -8.861 1.00 0.00 C ATOM 551 NH1 ARG A 30 -1.386 7.626 -8.837 1.00 0.00 N ATOM 552 NH2 ARG A 30 -3.293 8.234 -9.957 1.00 0.00 N ATOM 0 H ARG A 30 -3.124 10.745 -3.842 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.319 8.978 -4.185 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.815 9.116 -5.164 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.498 8.004 -3.848 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.877 6.327 -4.747 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.799 7.458 -5.719 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.911 7.413 -6.366 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.714 5.879 -6.632 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.449 7.582 -7.856 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.928 7.270 -7.998 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.831 7.869 -9.657 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.306 8.347 -9.983 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.732 8.475 -10.774 1.00 0.00 H new ATOM 566 N ARG A 31 -3.547 8.654 -1.428 1.00 0.00 N ATOM 567 CA ARG A 31 -3.547 8.049 -0.104 1.00 0.00 C ATOM 568 C ARG A 31 -4.839 8.360 0.645 1.00 0.00 C ATOM 569 O ARG A 31 -5.493 7.463 1.177 1.00 0.00 O ATOM 570 CB ARG A 31 -2.347 8.546 0.704 1.00 0.00 C ATOM 571 CG ARG A 31 -1.733 7.484 1.600 1.00 0.00 C ATOM 572 CD ARG A 31 -0.407 7.944 2.183 1.00 0.00 C ATOM 573 NE ARG A 31 -0.510 8.236 3.612 1.00 0.00 N ATOM 574 CZ ARG A 31 -0.511 9.465 4.129 1.00 0.00 C ATOM 575 NH1 ARG A 31 -0.430 10.531 3.342 1.00 0.00 N ATOM 576 NH2 ARG A 31 -0.597 9.628 5.443 1.00 0.00 N ATOM 0 H ARG A 31 -2.779 9.304 -1.594 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.476 6.969 -0.229 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.585 8.914 0.017 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.658 9.391 1.318 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.424 7.245 2.409 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.582 6.568 1.029 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.346 7.173 2.024 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.068 8.835 1.654 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.586 7.448 4.255 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.366 10.415 2.331 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.432 11.466 3.749 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.662 8.814 6.055 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.598 10.567 5.841 1.00 0.00 H new ATOM 590 N GLN A 32 -5.195 9.639 0.690 1.00 0.00 N ATOM 591 CA GLN A 32 -6.403 10.075 1.382 1.00 0.00 C ATOM 592 C GLN A 32 -7.659 9.525 0.715 1.00 0.00 C ATOM 593 O GLN A 32 -8.600 9.114 1.395 1.00 0.00 O ATOM 594 CB GLN A 32 -6.465 11.604 1.433 1.00 0.00 C ATOM 595 CG GLN A 32 -7.477 12.139 2.434 1.00 0.00 C ATOM 596 CD GLN A 32 -8.537 13.007 1.787 1.00 0.00 C ATOM 597 OE1 GLN A 32 -8.454 14.235 1.816 1.00 0.00 O ATOM 598 NE2 GLN A 32 -9.543 12.373 1.196 1.00 0.00 N ATOM 0 H GLN A 32 -4.664 10.393 0.255 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.361 9.683 2.398 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.478 11.991 1.685 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.712 11.983 0.441 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.958 11.302 2.941 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -6.956 12.717 3.197 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.573 11.353 1.195 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -10.286 12.906 0.743 1.00 0.00 H new ATOM 607 N GLN A 33 -7.675 9.515 -0.612 1.00 0.00 N ATOM 608 CA GLN A 33 -8.826 9.009 -1.347 1.00 0.00 C ATOM 609 C GLN A 33 -8.988 7.508 -1.136 1.00 0.00 C ATOM 610 O GLN A 33 -10.084 7.029 -0.855 1.00 0.00 O ATOM 611 CB GLN A 33 -8.691 9.317 -2.840 1.00 0.00 C ATOM 612 CG GLN A 33 -9.639 10.403 -3.322 1.00 0.00 C ATOM 613 CD GLN A 33 -10.882 9.840 -3.983 1.00 0.00 C ATOM 614 OE1 GLN A 33 -11.918 9.671 -3.340 1.00 0.00 O ATOM 615 NE2 GLN A 33 -10.784 9.546 -5.274 1.00 0.00 N ATOM 0 H GLN A 33 -6.909 9.849 -1.197 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.715 9.511 -0.964 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.666 9.622 -3.049 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.875 8.406 -3.409 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.932 11.026 -2.477 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.117 11.049 -4.028 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.905 9.703 -5.767 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.588 9.164 -5.772 1.00 0.00 H new ATOM 624 N LEU A 34 -7.890 6.771 -1.269 1.00 0.00 N ATOM 625 CA LEU A 34 -7.916 5.324 -1.090 1.00 0.00 C ATOM 626 C LEU A 34 -8.374 4.959 0.318 1.00 0.00 C ATOM 627 O LEU A 34 -9.163 4.033 0.504 1.00 0.00 O ATOM 628 CB LEU A 34 -6.530 4.729 -1.360 1.00 0.00 C ATOM 629 CG LEU A 34 -6.483 3.667 -2.461 1.00 0.00 C ATOM 630 CD1 LEU A 34 -5.075 3.545 -3.026 1.00 0.00 C ATOM 631 CD2 LEU A 34 -6.967 2.327 -1.926 1.00 0.00 C ATOM 0 H LEU A 34 -6.972 7.151 -1.500 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.627 4.907 -1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.850 5.538 -1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.154 4.289 -0.436 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.148 3.975 -3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.061 2.785 -3.807 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.767 4.503 -3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.387 3.260 -2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.928 1.582 -2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.327 2.012 -1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -7.993 2.426 -1.572 1.00 0.00 H new ATOM 643 N SER A 35 -7.872 5.691 1.307 1.00 0.00 N ATOM 644 CA SER A 35 -8.230 5.443 2.697 1.00 0.00 C ATOM 645 C SER A 35 -9.728 5.628 2.911 1.00 0.00 C ATOM 646 O SER A 35 -10.389 4.788 3.519 1.00 0.00 O ATOM 647 CB SER A 35 -7.446 6.380 3.620 1.00 0.00 C ATOM 648 OG SER A 35 -7.743 7.736 3.345 1.00 0.00 O ATOM 0 H SER A 35 -7.216 6.460 1.171 1.00 0.00 H new ATOM 0 HA SER A 35 -7.973 4.411 2.938 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.686 6.156 4.659 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.377 6.207 3.496 1.00 0.00 H new ATOM 0 HG SER A 35 -7.923 7.844 2.388 1.00 0.00 H new ATOM 654 N SER A 36 -10.251 6.744 2.416 1.00 0.00 N ATOM 655 CA SER A 36 -11.670 7.060 2.554 1.00 0.00 C ATOM 656 C SER A 36 -12.551 6.140 1.706 1.00 0.00 C ATOM 657 O SER A 36 -13.644 5.760 2.123 1.00 0.00 O ATOM 658 CB SER A 36 -11.921 8.518 2.165 1.00 0.00 C ATOM 659 OG SER A 36 -11.155 9.400 2.967 1.00 0.00 O ATOM 0 H SER A 36 -9.712 7.449 1.913 1.00 0.00 H new ATOM 0 HA SER A 36 -11.938 6.903 3.599 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.669 8.666 1.115 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.980 8.749 2.275 1.00 0.00 H new ATOM 0 HG SER A 36 -10.247 9.466 2.605 1.00 0.00 H new ATOM 665 N GLU A 37 -12.080 5.807 0.508 1.00 0.00 N ATOM 666 CA GLU A 37 -12.840 4.957 -0.406 1.00 0.00 C ATOM 667 C GLU A 37 -13.052 3.552 0.154 1.00 0.00 C ATOM 668 O GLU A 37 -14.182 3.071 0.226 1.00 0.00 O ATOM 669 CB GLU A 37 -12.136 4.871 -1.763 1.00 0.00 C ATOM 670 CG GLU A 37 -13.082 4.990 -2.946 1.00 0.00 C ATOM 671 CD GLU A 37 -12.464 5.737 -4.113 1.00 0.00 C ATOM 672 OE1 GLU A 37 -12.032 6.892 -3.916 1.00 0.00 O ATOM 673 OE2 GLU A 37 -12.411 5.165 -5.222 1.00 0.00 O ATOM 0 H GLU A 37 -11.176 6.112 0.147 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.821 5.417 -0.529 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.388 5.661 -1.826 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.604 3.922 -1.828 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.377 3.993 -3.273 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.990 5.504 -2.630 1.00 0.00 H new ATOM 680 N LEU A 38 -11.964 2.889 0.534 1.00 0.00 N ATOM 681 CA LEU A 38 -12.050 1.533 1.066 1.00 0.00 C ATOM 682 C LEU A 38 -12.339 1.539 2.564 1.00 0.00 C ATOM 683 O LEU A 38 -12.952 0.609 3.089 1.00 0.00 O ATOM 684 CB LEU A 38 -10.753 0.770 0.786 1.00 0.00 C ATOM 685 CG LEU A 38 -10.544 0.357 -0.673 1.00 0.00 C ATOM 686 CD1 LEU A 38 -9.139 -0.185 -0.878 1.00 0.00 C ATOM 687 CD2 LEU A 38 -11.581 -0.675 -1.092 1.00 0.00 C ATOM 0 H LEU A 38 -11.018 3.266 0.484 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.878 1.031 0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.911 1.389 1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.735 -0.126 1.407 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.667 1.240 -1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.009 -0.473 -1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.411 0.584 -0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.988 -1.055 -0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -11.415 -0.956 -2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -11.492 -1.558 -0.459 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -12.580 -0.251 -0.985 1.00 0.00 H new ATOM 699 N GLY A 39 -11.900 2.589 3.247 1.00 0.00 N ATOM 700 CA GLY A 39 -12.128 2.688 4.677 1.00 0.00 C ATOM 701 C GLY A 39 -10.949 2.194 5.492 1.00 0.00 C ATOM 702 O GLY A 39 -11.127 1.500 6.494 1.00 0.00 O ATOM 0 H GLY A 39 -11.391 3.373 2.838 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.335 3.726 4.937 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.014 2.111 4.941 1.00 0.00 H new ATOM 706 N LEU A 40 -9.744 2.553 5.065 1.00 0.00 N ATOM 707 CA LEU A 40 -8.530 2.144 5.763 1.00 0.00 C ATOM 708 C LEU A 40 -7.725 3.362 6.198 1.00 0.00 C ATOM 709 O LEU A 40 -8.043 4.489 5.827 1.00 0.00 O ATOM 710 CB LEU A 40 -7.675 1.250 4.864 1.00 0.00 C ATOM 711 CG LEU A 40 -8.285 -0.113 4.538 1.00 0.00 C ATOM 712 CD1 LEU A 40 -7.839 -0.581 3.161 1.00 0.00 C ATOM 713 CD2 LEU A 40 -7.901 -1.133 5.600 1.00 0.00 C ATOM 0 H LEU A 40 -9.581 3.127 4.238 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.820 1.581 6.650 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.483 1.778 3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.710 1.093 5.346 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.370 -0.014 4.531 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.283 -1.553 2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.162 0.140 2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.752 -0.666 3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.343 -2.098 5.354 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.816 -1.229 5.636 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.269 -0.803 6.571 1.00 0.00 H new ATOM 725 N ASN A 41 -6.682 3.131 6.986 1.00 0.00 N ATOM 726 CA ASN A 41 -5.833 4.217 7.464 1.00 0.00 C ATOM 727 C ASN A 41 -4.791 4.592 6.414 1.00 0.00 C ATOM 728 O ASN A 41 -4.143 3.722 5.829 1.00 0.00 O ATOM 729 CB ASN A 41 -5.147 3.822 8.774 1.00 0.00 C ATOM 730 CG ASN A 41 -5.549 4.718 9.928 1.00 0.00 C ATOM 731 OD1 ASN A 41 -6.693 5.166 10.012 1.00 0.00 O ATOM 732 ND2 ASN A 41 -4.608 4.988 10.826 1.00 0.00 N ATOM 0 H ASN A 41 -6.404 2.204 7.307 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.464 5.087 7.648 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.397 2.789 9.015 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.066 3.866 8.643 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.821 5.587 11.623 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.673 4.596 10.718 1.00 0.00 H new ATOM 739 N GLU A 42 -4.629 5.892 6.183 1.00 0.00 N ATOM 740 CA GLU A 42 -3.660 6.379 5.205 1.00 0.00 C ATOM 741 C GLU A 42 -2.277 5.800 5.478 1.00 0.00 C ATOM 742 O GLU A 42 -1.538 5.466 4.552 1.00 0.00 O ATOM 743 CB GLU A 42 -3.600 7.908 5.229 1.00 0.00 C ATOM 744 CG GLU A 42 -4.966 8.573 5.149 1.00 0.00 C ATOM 745 CD GLU A 42 -5.260 9.450 6.351 1.00 0.00 C ATOM 746 OE1 GLU A 42 -5.166 8.948 7.490 1.00 0.00 O ATOM 747 OE2 GLU A 42 -5.583 10.641 6.152 1.00 0.00 O ATOM 0 H GLU A 42 -5.155 6.626 6.658 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.984 6.052 4.217 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.102 8.229 6.144 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.988 8.252 4.395 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.020 9.176 4.242 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.735 7.805 5.067 1.00 0.00 H new ATOM 754 N ALA A 43 -1.935 5.679 6.757 1.00 0.00 N ATOM 755 CA ALA A 43 -0.643 5.134 7.154 1.00 0.00 C ATOM 756 C ALA A 43 -0.516 3.674 6.734 1.00 0.00 C ATOM 757 O ALA A 43 0.569 3.209 6.378 1.00 0.00 O ATOM 758 CB ALA A 43 -0.451 5.272 8.656 1.00 0.00 C ATOM 0 H ALA A 43 -2.535 5.951 7.536 1.00 0.00 H new ATOM 0 HA ALA A 43 0.137 5.702 6.647 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.518 4.861 8.938 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.493 6.325 8.933 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.241 4.729 9.175 1.00 0.00 H new ATOM 764 N GLN A 44 -1.635 2.956 6.769 1.00 0.00 N ATOM 765 CA GLN A 44 -1.648 1.550 6.388 1.00 0.00 C ATOM 766 C GLN A 44 -1.431 1.408 4.888 1.00 0.00 C ATOM 767 O GLN A 44 -0.684 0.540 4.437 1.00 0.00 O ATOM 768 CB GLN A 44 -2.974 0.899 6.791 1.00 0.00 C ATOM 769 CG GLN A 44 -2.887 0.083 8.070 1.00 0.00 C ATOM 770 CD GLN A 44 -2.509 0.924 9.274 1.00 0.00 C ATOM 771 OE1 GLN A 44 -3.290 1.754 9.737 1.00 0.00 O ATOM 772 NE2 GLN A 44 -1.302 0.713 9.787 1.00 0.00 N ATOM 0 H GLN A 44 -2.541 3.325 7.057 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.837 1.043 6.911 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.728 1.677 6.917 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.314 0.254 5.981 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.847 -0.399 8.255 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.151 -0.711 7.941 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.686 0.014 9.371 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.991 1.250 10.597 1.00 0.00 H new ATOM 781 N ILE A 45 -2.079 2.275 4.119 1.00 0.00 N ATOM 782 CA ILE A 45 -1.943 2.253 2.670 1.00 0.00 C ATOM 783 C ILE A 45 -0.527 2.644 2.266 1.00 0.00 C ATOM 784 O ILE A 45 0.072 2.027 1.385 1.00 0.00 O ATOM 785 CB ILE A 45 -2.945 3.206 1.990 1.00 0.00 C ATOM 786 CG1 ILE A 45 -4.365 2.932 2.490 1.00 0.00 C ATOM 787 CG2 ILE A 45 -2.874 3.061 0.478 1.00 0.00 C ATOM 788 CD1 ILE A 45 -5.257 4.154 2.471 1.00 0.00 C ATOM 0 H ILE A 45 -2.702 3.000 4.475 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.155 1.236 2.340 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.680 4.231 2.250 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.815 2.154 1.874 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.315 2.544 3.507 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.588 3.741 0.013 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.868 3.303 0.136 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.116 2.035 0.199 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.248 3.887 2.838 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.829 4.927 3.110 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.337 4.530 1.451 1.00 0.00 H new ATOM 800 N LYS A 46 0.006 3.669 2.924 1.00 0.00 N ATOM 801 CA LYS A 46 1.357 4.142 2.643 1.00 0.00 C ATOM 802 C LYS A 46 2.376 3.029 2.858 1.00 0.00 C ATOM 803 O LYS A 46 3.261 2.817 2.031 1.00 0.00 O ATOM 804 CB LYS A 46 1.700 5.337 3.534 1.00 0.00 C ATOM 805 CG LYS A 46 2.947 6.087 3.089 1.00 0.00 C ATOM 806 CD LYS A 46 2.705 7.588 3.016 1.00 0.00 C ATOM 807 CE LYS A 46 3.799 8.370 3.725 1.00 0.00 C ATOM 808 NZ LYS A 46 3.254 9.213 4.825 1.00 0.00 N ATOM 0 H LYS A 46 -0.478 4.188 3.656 1.00 0.00 H new ATOM 0 HA LYS A 46 1.395 4.453 1.599 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.856 6.026 3.545 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.841 4.989 4.557 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.762 5.883 3.784 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.262 5.721 2.112 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.654 7.898 1.972 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.740 7.823 3.465 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.537 7.677 4.130 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.318 9.003 3.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.031 9.730 5.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.569 9.892 4.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.781 8.607 5.525 1.00 0.00 H new ATOM 822 N ILE A 47 2.244 2.318 3.975 1.00 0.00 N ATOM 823 CA ILE A 47 3.156 1.226 4.293 1.00 0.00 C ATOM 824 C ILE A 47 3.008 0.087 3.291 1.00 0.00 C ATOM 825 O ILE A 47 3.994 -0.528 2.885 1.00 0.00 O ATOM 826 CB ILE A 47 2.915 0.688 5.719 1.00 0.00 C ATOM 827 CG1 ILE A 47 3.099 1.808 6.744 1.00 0.00 C ATOM 828 CG2 ILE A 47 3.856 -0.470 6.023 1.00 0.00 C ATOM 829 CD1 ILE A 47 2.350 1.573 8.037 1.00 0.00 C ATOM 0 H ILE A 47 1.517 2.479 4.672 1.00 0.00 H new ATOM 0 HA ILE A 47 4.169 1.626 4.237 1.00 0.00 H new ATOM 0 HB ILE A 47 1.891 0.321 5.781 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.161 1.918 6.964 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.765 2.749 6.306 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.670 -0.835 7.033 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.684 -1.275 5.309 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.889 -0.130 5.945 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.526 2.407 8.716 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.283 1.493 7.830 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.700 0.649 8.498 1.00 0.00 H new ATOM 841 N TRP A 48 1.770 -0.188 2.892 1.00 0.00 N ATOM 842 CA TRP A 48 1.496 -1.252 1.934 1.00 0.00 C ATOM 843 C TRP A 48 2.197 -0.980 0.610 1.00 0.00 C ATOM 844 O TRP A 48 2.866 -1.853 0.061 1.00 0.00 O ATOM 845 CB TRP A 48 -0.011 -1.389 1.707 1.00 0.00 C ATOM 846 CG TRP A 48 -0.384 -2.576 0.870 1.00 0.00 C ATOM 847 CD1 TRP A 48 -0.566 -3.858 1.303 1.00 0.00 C ATOM 848 CD2 TRP A 48 -0.621 -2.591 -0.544 1.00 0.00 C ATOM 849 NE1 TRP A 48 -0.901 -4.670 0.246 1.00 0.00 N ATOM 850 CE2 TRP A 48 -0.941 -3.916 -0.898 1.00 0.00 C ATOM 851 CE3 TRP A 48 -0.595 -1.612 -1.545 1.00 0.00 C ATOM 852 CZ2 TRP A 48 -1.232 -4.287 -2.209 1.00 0.00 C ATOM 853 CZ3 TRP A 48 -0.882 -1.984 -2.844 1.00 0.00 C ATOM 854 CH2 TRP A 48 -1.198 -3.310 -3.166 1.00 0.00 C ATOM 0 H TRP A 48 0.942 0.311 3.217 1.00 0.00 H new ATOM 0 HA TRP A 48 1.880 -2.186 2.345 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.511 -1.464 2.673 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.382 -0.484 1.226 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -0.462 -4.186 2.327 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -1.089 -5.671 0.303 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.355 -0.586 -1.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.476 -5.309 -2.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -0.862 -1.239 -3.626 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -1.419 -3.567 -4.191 1.00 0.00 H new ATOM 865 N PHE A 49 2.043 0.240 0.105 1.00 0.00 N ATOM 866 CA PHE A 49 2.666 0.627 -1.155 1.00 0.00 C ATOM 867 C PHE A 49 4.186 0.592 -1.040 1.00 0.00 C ATOM 868 O PHE A 49 4.873 0.050 -1.906 1.00 0.00 O ATOM 869 CB PHE A 49 2.201 2.024 -1.570 1.00 0.00 C ATOM 870 CG PHE A 49 1.131 2.010 -2.625 1.00 0.00 C ATOM 871 CD1 PHE A 49 -0.206 1.928 -2.272 1.00 0.00 C ATOM 872 CD2 PHE A 49 1.465 2.075 -3.968 1.00 0.00 C ATOM 873 CE1 PHE A 49 -1.192 1.912 -3.242 1.00 0.00 C ATOM 874 CE2 PHE A 49 0.483 2.059 -4.940 1.00 0.00 C ATOM 875 CZ PHE A 49 -0.846 1.979 -4.577 1.00 0.00 C ATOM 0 H PHE A 49 1.493 0.976 0.548 1.00 0.00 H new ATOM 0 HA PHE A 49 2.362 -0.088 -1.920 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.827 2.550 -0.691 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.057 2.589 -1.939 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.481 1.876 -1.229 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.503 2.139 -4.258 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.231 1.847 -2.955 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.756 2.109 -5.984 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.614 1.969 -5.336 1.00 0.00 H new ATOM 885 N GLN A 50 4.705 1.171 0.037 1.00 0.00 N ATOM 886 CA GLN A 50 6.144 1.202 0.269 1.00 0.00 C ATOM 887 C GLN A 50 6.695 -0.209 0.438 1.00 0.00 C ATOM 888 O GLN A 50 7.783 -0.524 -0.044 1.00 0.00 O ATOM 889 CB GLN A 50 6.464 2.041 1.508 1.00 0.00 C ATOM 890 CG GLN A 50 7.802 2.760 1.429 1.00 0.00 C ATOM 891 CD GLN A 50 8.010 3.731 2.574 1.00 0.00 C ATOM 892 OE1 GLN A 50 9.015 3.668 3.281 1.00 0.00 O ATOM 893 NE2 GLN A 50 7.057 4.637 2.764 1.00 0.00 N ATOM 0 H GLN A 50 4.151 1.625 0.763 1.00 0.00 H new ATOM 0 HA GLN A 50 6.619 1.657 -0.600 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.673 2.778 1.652 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.460 1.394 2.385 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.606 2.024 1.431 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.865 3.299 0.484 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.240 4.653 2.154 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.142 5.316 3.520 1.00 0.00 H new ATOM 902 N ASN A 51 5.937 -1.058 1.126 1.00 0.00 N ATOM 903 CA ASN A 51 6.351 -2.438 1.356 1.00 0.00 C ATOM 904 C ASN A 51 6.267 -3.254 0.072 1.00 0.00 C ATOM 905 O ASN A 51 7.132 -4.083 -0.207 1.00 0.00 O ATOM 906 CB ASN A 51 5.483 -3.082 2.438 1.00 0.00 C ATOM 907 CG ASN A 51 6.076 -2.922 3.826 1.00 0.00 C ATOM 908 OD1 ASN A 51 6.481 -3.900 4.455 1.00 0.00 O ATOM 909 ND2 ASN A 51 6.129 -1.686 4.308 1.00 0.00 N ATOM 0 H ASN A 51 5.034 -0.815 1.533 1.00 0.00 H new ATOM 0 HA ASN A 51 7.388 -2.426 1.691 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.489 -2.635 2.417 1.00 0.00 H new ATOM 0 HB3 ASN A 51 5.360 -4.143 2.218 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.517 -1.517 5.236 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.781 -0.906 3.750 1.00 0.00 H new ATOM 916 N LYS A 52 5.218 -3.018 -0.709 1.00 0.00 N ATOM 917 CA LYS A 52 5.025 -3.738 -1.960 1.00 0.00 C ATOM 918 C LYS A 52 6.115 -3.384 -2.965 1.00 0.00 C ATOM 919 O LYS A 52 6.559 -4.235 -3.737 1.00 0.00 O ATOM 920 CB LYS A 52 3.648 -3.424 -2.549 1.00 0.00 C ATOM 921 CG LYS A 52 2.859 -4.662 -2.941 1.00 0.00 C ATOM 922 CD LYS A 52 3.313 -5.212 -4.282 1.00 0.00 C ATOM 923 CE LYS A 52 2.198 -5.983 -4.971 1.00 0.00 C ATOM 924 NZ LYS A 52 2.573 -6.386 -6.354 1.00 0.00 N ATOM 0 H LYS A 52 4.491 -2.335 -0.497 1.00 0.00 H new ATOM 0 HA LYS A 52 5.085 -4.805 -1.748 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.073 -2.852 -1.822 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.773 -2.790 -3.427 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.977 -5.428 -2.174 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.798 -4.418 -2.987 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.640 -4.392 -4.922 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.173 -5.865 -4.137 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.957 -6.871 -4.387 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.298 -5.369 -5.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.735 -6.756 -6.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.941 -5.560 -6.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.305 -7.123 -6.314 1.00 0.00 H new ATOM 938 N ARG A 53 6.546 -2.128 -2.950 1.00 0.00 N ATOM 939 CA ARG A 53 7.587 -1.674 -3.862 1.00 0.00 C ATOM 940 C ARG A 53 8.939 -2.266 -3.474 1.00 0.00 C ATOM 941 O ARG A 53 9.760 -2.585 -4.334 1.00 0.00 O ATOM 942 CB ARG A 53 7.665 -0.147 -3.866 1.00 0.00 C ATOM 943 CG ARG A 53 8.451 0.416 -5.039 1.00 0.00 C ATOM 944 CD ARG A 53 8.621 1.922 -4.924 1.00 0.00 C ATOM 945 NE ARG A 53 9.633 2.283 -3.934 1.00 0.00 N ATOM 946 CZ ARG A 53 10.938 2.079 -4.102 1.00 0.00 C ATOM 947 NH1 ARG A 53 11.391 1.517 -5.215 1.00 0.00 N ATOM 948 NH2 ARG A 53 11.791 2.438 -3.153 1.00 0.00 N ATOM 0 H ARG A 53 6.192 -1.409 -2.319 1.00 0.00 H new ATOM 0 HA ARG A 53 7.333 -2.016 -4.865 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.654 0.261 -3.887 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.125 0.188 -2.936 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.431 -0.059 -5.084 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.938 0.177 -5.970 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.901 2.331 -5.895 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.668 2.375 -4.650 1.00 0.00 H new ATOM 0 HE ARG A 53 9.322 2.716 -3.064 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.738 1.239 -5.948 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.392 1.363 -5.338 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.447 2.870 -2.295 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.791 2.282 -3.281 1.00 0.00 H new